[SCM] Freefoam packaging. Programs and libraries for Computational Fluid Dynamics (CFD) branch, master, updated. debian/0.1.0+dfsg-1
Michael Wild
themiwi at users.sourceforge.net
Fri Aug 17 08:57:29 UTC 2012
The following commit has been merged in the master branch:
commit 92ca47ff8b93ec1989566f6aa4a849f9da8f901d
Author: Michael Wild <themiwi at users.sourceforge.net>
Date: Fri Jul 27 09:12:20 2012 +0200
New upstream version 0.1.0+dfsg
diff --git a/applications/test/readCHEMKINIII/CHEMKINdata/chem.inp_DME b/applications/test/readCHEMKINIII/CHEMKINdata/chem.inp_DME
deleted file mode 100644
index bfb87d3..0000000
--- a/applications/test/readCHEMKINIII/CHEMKINdata/chem.inp_DME
+++ /dev/null
@@ -1,434 +0,0 @@
-ELEMENTS
- H O C N AR
-END
-SPECIES
-H2 O2 OH H H2O O H2O2 HO2
-CH4 CO CO2 HCO CH3O CH2OH CH2O CH3 CH2 CH2(S) CH HCCO CH3O2 CH4O2
-C2H6 C2H5 C2H4 C2H3 C2H2 C2H CH3CO CH2CO C3H2 C3H3 C3H4 C3H5 C3H6 HCCOH
-C2H5OH CH3HCO CH3CHOH CH3OH C4H2 C4H3 CH3OCH3 CH3OCH2 CH3OCH2OOH CH3OCH2OO
-CH3OCH2O HCOOCH3 HCOOH CH3OCO
-O3 N2 AR C
-THERMO ! 1995 NASA COMPILATION + EDGAR DATA
-CH3O2 L 1/84C 1H 3O 2N 0G 300.000 5000.00 1
- 0.66812963E 01 0.80057271E-02-0.27188507E-05 0.40631365E-09-0.21927725E-13 2
- 0.52621851E 03-0.99423847E 01 0.20986490E 01 0.15786357E-01 0.75683261E-07 3
--0.11274587E-07 0.56665133E-11 0.20695879E 04 0.15007068E 02 4
-CH4O2 T12/93C 1H 4O 2N 0G 200.000 6000.000 1
- 0.61600316E+01 0.10239957E-01-0.36101507E-05 0.57550301E-09-0.34178147E-13 2
--0.17654526E+05-0.61911544E+01 0.49652507E+01 0.92343510E-03 0.34455956E-04 3
--0.44469600E-07 0.17456120E-10-0.16726970E+05 0.29880275E+01 4
-C2H5OH L 8/88C 2H 6O 1N 0G 200.000 6000.000 1
- 0.65624365E+01 0.15204222E-01-0.53896795E-05 0.86225011E-09-0.51289787E-13 2
--0.31525621E+05-0.94730202E+01 0.48586957E+01-0.37401726E-02 0.69555378E-04 3
--0.88654796E-07 0.35168835E-10-0.29996132E+05 0.48018545E+01-0.28257829E+05 4
-C3H3 BUR 92C 3H 3O 0N 0G 200.000 6000.000 1
- 6.64175821E+00 8.08587428E-03-2.84787887E-06 4.53525977E-10-2.68879815E-14 2
- 3.89793699E+04-1.04004255E+01 1.82840766E+00 2.37839036E-02-2.19228176E-05 3
- 1.00067444E-08-1.38984644E-12 4.01863058E+04 1.38447957E+01 4.16139977E+04 4
-C3H4 L12/92C 3H 4O 0N 0G 200.000 6000.000 1
- 6.31694869E+00 1.11336262E-02-3.96289018E-06 6.35633775E-10-3.78749885E-14 2
- 2.01174617E+04-1.09718862E+01 2.61307487E+00 1.21223371E-02 1.85405400E-05 3
--3.45258475E-08 1.53353389E-11 2.15415642E+04 1.02503319E+01 2.29622672E+04 4
-C3H5 BUR 92C 3H 5O 0N 0G 200.000 6000.000 1
- 6.54761132E+00 1.33152246E-02-4.78333100E-06 7.71949814E-10-4.61930808E-14 2
- 1.72714707E+04-9.27486841E+00 3.78794693E+00 9.48414335E-03 2.42343368E-05 3
--3.65604010E-08 1.48592356E-11 1.86261218E+04 7.82822499E+00 2.03259122E+04 4
-C4H2 L 2/93C 4H 2O 0N 0G 200.000 6000.000 1
- 8.66704895E+00 6.71505191E-03-2.35355060E-06 3.73635366E-10-2.21054043E-14 2
- 5.10016978E+04-2.18002050E+01-4.07132393E-01 5.20775143E-02-9.21138340E-05 3
- 8.08657403E-08-2.70422080E-11 5.25957367E+04 2.03240223E+01 5.41222513E+04 4
-C4H3 L 9/89C 4H 3O 0N 0G 298.150 6000.000 1
- 0.84762079E+01 0.88782327E-02-0.30328412E-05 0.47358302E-09-0.27716627E-13 2
- 0.54756540E+05-0.17170551E+02 0.24173247E+01 0.24104782E-01-0.12813470E-04 3
--0.28606237E-08 0.39194527E-11 0.56506476E+05 0.14471107E+02 0.58181574E+05 4
-C4H4 L 9/89C 4H 4O 0N 0G 200.000 6000.000 1
- 0.82948104E+01 0.11994381E-01-0.42624075E-05 0.68306978E-09-0.40680631E-13 2
- 0.33550866E+05-0.18426826E+02 0.14049083E+01 0.29531073E-01-0.15596302E-04 3
--0.32142002E-08 0.45436937E-11 0.35507830E+05 0.17450183E+02 0.37097268E+05 4
-CH3OCH3 L12/92C 2H 6O 1N 0G 200.000 6000.000 1
- 5.64844183E+00 1.63381899E-02-5.86802367E-06 9.46836869E-10-5.66504738E-14 2
--2.51074690E+04-5.96264939E+00 5.30562279E+00-2.14254272E-03 5.30873244E-05 3
--6.23147136E-08 2.30731036E-11-2.39866295E+04 7.13264209E-01-2.21432171E+04 4
-CH3OCH2 T11/82C 2H 5O 1N 0G 300.000 5000.0 1
- 0.65567484E+01 0.12180723E-01-0.40628420E-05 0.59495830E-09-0.31276214E-13 2
--0.40282515E+04-0.81302772E+01 0.35953999E+01 0.13379216E-01 0.53914910E-05 3
--0.10947097E-07 0.38193320E-11-0.27021975E+04 0.92850365E+01 4
-CH3OCH2OOH Jan96 C 2H 6O 3N 0G 300.00 3000.00 1000. 0 1
- 7.66981055E+00 2.35536769E-02-1.15031834E-05 2.84464629E-09-2.79520304E-13 2
--3.96295537E+04-1.39224857E+01 3.05518950E-02 4.90560834E-02-4.43030986E-05 3
- 2.21548123E-08-4.66587486E-12-3.80282020E+04 2.43189660E+01 4
-CH3OCH2OO Jan96 C 2H 5O 3N 0G 300.00 3000.00 1000. 0 1
- 8.06217488E+00 2.05153644E-02-1.00803231E-05 2.50244952E-09-2.46544863E-13 2
--2.19951127E+04-1.59505736E+01 4.74967287E-01 4.68199208E-02-4.55041928E-05 3
- 2.44627078E-08-5.51108848E-12-2.04517448E+04 2.17234867E+01 4
-CH3OCH2O Jan96 C 2H 5O 2N 0G 300.00 3000.00 1000. 0 1
- 5.98450336E+00 1.93302785E-02-9.44575204E-06 2.33651645E-09-2.29626013E-13 2
--2.12266609E+04-7.95685946E+00-1.22386711E-01 3.94270827E-02-3.47990406E-05 3
- 1.69073231E-08-3.44801024E-12-1.99352987E+04 2.26909497E+01 4
-CH3OCHO Jan96 C 2H 4O 2N 0G 300.00 3000.00 1000. 1
- 5.46071782E+00 1.70659166E-02-8.38236448E-06 2.08015776E-09-2.04870146E-13 2
--4.58756417E+04-3.33482124E+00-4.40150386E-01 3.69251939E-02-3.41468832E-05 3
- 1.73800460E-08-3.70831952E-12-4.46516329E+04 2.61277510E+01 4
-HCOOCH3 C 2H 4O 2N 0G 300.000 5000.000 1
- 0.83982000E 01 0.11267000E-01-0.41325000E-05 0.72745000E-09-0.48932000E-13 2
--0.48328000E 05-0.18820000E 02-0.15323000E 01 0.43051000E-01-0.45098000E-04 3
- 0.26064000E-07-0.63345000E-11-0.45711000E 05 0.31603000E 02 4
-HCOOH L 8/88H 2.C 1.O 2. 0.G 200.000 6000.000 1
- 5.69579404E+00 7.72237361E-03-3.18037808E-06 5.57949466E-10-3.52618226E-14 2
--4.81599723E+04-6.01680080E+00 3.23262453E+00 2.81129582E-03 2.44034975E-05 3
--3.17501066E-08 1.20631660E-11-4.67785606E+04 9.86205647E+00-4.55312460E+04 4
-CH3OCO C 2H 3O 2 0G 300.000 5000.000 1
- 0.76505900E 01 0.99082000E-02-0.37559700E-05 0.67845900E-09-0.46572100E-13 2
--0.24947700E 05-0.12937300E 02-0.89045900E 00 0.38842600E-01-0.42829300E-04 3
- 0.25682800E-07-0.63729700E-11-0.22835200E 05 0.29911300E 02 4
-END
-REACTIONS
-CH4 + O2 = CH3 + HO2 7.900E+13 0.00 56000.
-CH4 + H = CH3 + H2 6.600E+08 1.62 10840. ! 2.200E+04 3.00 8750.
-CH4 + OH = CH3 + H2O 1.600E+06 2.10 2460.
-CH4 + O = CH3 + OH 1.020E+09 1.50 8604.
-CH4 + HO2 = CH3 + H2O2 1.800E+11 0.00 18700.
-CH3 + HO2 = CH3O + OH 2.000E+13 0.00 0.
-CH3 + O2 = CH3O + O 2.720E+13 0.00 30900.
-CH3 + O2 = CH2O + OH 3.800E+10 0.00 9000. ! 3.8
-CH3 + CH2O = CH4 + HCO 5.500E+03 2.82 6000.
-CH3 + HCO = CH4 + CO 1.200E+14 0.00 0.
-CH3 + O = CH2O + H 8.000E+13 0.00 0.
-CH3 + OH = CH2 + H2O 7.500E+06 2.00 5000.
-CH3 + OH = CH2O + H2 4.000E+12 0.00 0.
-CH3 + H = CH4 1.900E+36 -7.00 9050.
-CH3 + CH3 = C2H6 1.700D+53 -12.0 19400.
-!
-CH3 + CH3O = CH4 + CH2O 1.000E+13 0.00 0.
-CH3 + CH2OH = CH4 + CH2O 1.000E+12 0.00 0.
-CH3 + C2H5 = CH4 + C2H4 2.000E+13 -0.50 0.
-CH3 + C2H4 = CH4 + C2H3 6.620E+00 3.70 9482.
-CH3 + C2H3 = CH4 + C2H2 1.000E+12 0.00 0.
-CH3 + C2H2 = CH4 + C2H 1.800E+11 0.00 17270.
-CH3 + CH3 = C2H4 + H2 1.000E+14 0.00 31000.
-CH3 + M = CH2 + H + M 1.000E+16 0.00 90600.
-CH3 + HCO = CH2 + CH2O 2.000E+14 0.00 0.
-!
-CH2 + H2 = CH3 + H 5.000E+05 2.00 7230.
-CH2 + CH3 = C2H4 + H 4.000E+13 0.00 0.
-CH2 + OH = CH + H2O 1.130E+07 2.00 3000.
-CH2 + OH = CH2O + H 2.500E+13 0.00 0.
-CH2 + CH2 = C2H2 + H2 4.000E+13 0.00 0.
-CH2 + HCCO = C2H3 + CO 3.000E+13 0.00 0.
-CH2 + O = CO + H + H 5.000E+13 0.00 0.
-CH2 + O = HCO + H 8.000E+13 0.00 0.
-CH2 + O2 = CO2 + H + H 1.600E+12 0.00 1000.
-CH2 + O2 = CH2O + O 5.000E+13 0.00 9000.
-CH2 + O2 = CO2 + H2 6.900E+11 0.00 500.
-CH2 + O2 = HCO + OH 4.300E+10 0.00 -500.
-!
-CH2(S)+ CH3 = C2H4 + H 3.000E+13 0.00 -570.
-CH2(S)+ H2 = CH3 + H 8.000E+13 0.00 0.
-CH2(S)+ CH4 = CH3 + CH3 4.000E+12 0.00 -570.
-CH2(S)+ C2H6 = CH3 + C2H5 4.000E+12 0.00 -550.
-CH2(S)+ C2H2 = C3H3 + H 3.000E+13 0.00 0.
-CH2(S)+ N2 = CH2 + N2 1.500E+13 0.00 600.
-CH2(S)+ AR = CH2 + AR 9.000E+12 0.00 600.
-CH2(S)+ CO2 = CH2 + CO2 7.000E+12 0.00 0.
-CH2(S)+ CO2 = CH2O + CO 1.400E+11 0.00 1000.
-CH2(S)+ H2O = CH2 + H2O 3.000E+13 0.00 0.
-CH2(S)+ O2 = CO + OH + H 2.800E+12 0.00 -500.
-CH2(S)+ O2 = CO + H2O 1.200E+12 0.00 -500.
-CH2(S)+ H = CH + H2 3.000E+13 0.00 0.
-CH2(S)+ O = CO + H2 3.000E+13 0.00 0.
-!
-CH2OH + H = CH3 + OH 1.000E+14 0.00 0.
-CH3O + H = CH3 + OH 1.000E+14 0.00 0.
-CH3O + M = CH2O + H + M 1.000E+14 0.00 25000.
-CH2OH + M = CH2O + H + M 1.000E+14 0.00 25000.
-CH3O + H = CH2O + H2 2.000E+13 0.00 0.
-CH2OH + H = CH2O + H2 2.000E+13 0.00 0.
-CH3O + OH = CH2O + H2O 1.000E+13 0.00 0.
-CH2OH + OH = CH2O + H2O 1.000E+13 0.00 0.
-CH3O + O = CH2O + OH 1.000E+13 0.00 0.
-CH2OH + O = CH2O + OH 1.000E+13 0.00 0.
-CH3O + O2 = CH2O + HO2 6.300E+10 0.00 2600. ! 6.3
-CH2OH + O2 = CH2O + HO2 1.480E+13 0.00 1500.
-!CH2 + H = CH + H2 1.000E+18 -1.56 0.
-CH + H2 = H + CH2 1.107E+08 1.79 1670.
-CH + O2 = HCO + O 6.300E+13 0.00 0.
-CH + O = CO + H 5.700E+13 0.00 0.
-CH + OH = HCO + H 3.000E+13 0.00 0.
-CH + CO2 = HCO + CO 3.400E+12 0.00 690.
-CH + H2O = CH2O + H 1.170E+15 -0.75 0.
-CH + CH2O = CH2CO + H 9.460E+13 0.00 -515.
-CH + C2H2 = C3H2 + H 1.000E+14 0.00 0.
-CH + CH2 = C2H2 + H 4.000E+13 0.00 0.
-CH + CH3 = C2H3 + H 3.000E+13 0.00 -400.
-CH + CH4 = C2H4 + H 3.000E+13 0.00 0.
-!
-CH2O + OH = HCO + H2O 3.430E+09 1.18 -447.
-CH2O + H = HCO + H2 2.190E+08 1.77 3000.
-CH2O + M = HCO + H + M 3.310E+16 0.00 81000.
-CH2O + O = HCO + OH 1.800E+13 0.00 3080.
-CH2O + O2 = HCO + HO2 6.200E+13 0.00 39000.
-CH2O + HO2 = HCO + H2O2 1.000E+12 0.00 9000.
-CH2O + HO2 = HCOOH + OH 1.000E+13 0.00 14900.
-!
-HCOOH + H = H + CO2 + H2 3.060E+10 1.00 3200.
-HCOOH + O = H + CO2 + OH 5.360E+11 0.60 2900.
-HCOOH + OH = H + CO2 + H2O 2.500E+11 0.00 0.
-HCOOH + HO2 = H2O2 + CO2 + H 2.500E+11 0.00 0.
-HCOOH + CH3 = CH4 + CO2 + H 1.100E-03 4.90 3480.
-HCOOH + CH3OCH2 = CH3OCH3 + CO2 + H 1.100E-03 4.90 3480.
-!
-HCO + OH = H2O + CO 1.000E+14 0.00 0.
-!HCO + M = H + CO + M 2.500E+14 0.00 16802.
-HCO + H2O = H + CO + H2O 2.244E+18 -1.00 17000.
-HCO + M = H + CO + M 1.870E+17 -1.00 17000.
-H2/2.00/ H2O/ .00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/
-HCO + H = CO + H2 1.190E+13 0.25 0.
-HCO + O = CO + OH 3.000E+13 0.00 0.
-HCO + O = CO2 + H 3.000E+13 0.00 0.
-HCO + O2 = HO2 + CO 3.300E+13 -0.40 0.
-HCO + HCO = CH2O + CO 3.000E+13 0.00 0.
-HCO + HCO = H2 + CO + CO 3.000E+12 0.00 0.
-CO + O + M = CO2 + M 6.170E+14 0.00 3000.
-H2/2.00/ O2/6.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/3.50/ C2H6/3.00/ AR/0.50/
-CO + OH = CO2 + H 1.510E+07 1.30 -758.
-CO + O2 = CO2 + O 1.600E+13 0.00 41000.
-HO2 + CO = CO2 + OH 5.800E+13 0.00 22934.
-C2H6 + CH3 = C2H5 + CH4 5.500E-01 4.00 8300.
-C2H6 + H = C2H5 + H2 5.400E+02 3.50 5210.
-C2H6 + O = C2H5 + OH 3.000E+07 2.00 5115.
-C2H6 + OH = C2H5 + H2O 8.700E+09 1.05 1810.
-C2H4 + H = C2H3 + H2 1.100E+14 0.00 8500.
-C2H4 + O = CH3 + HCO 1.600E+09 1.20 746.
-C2H4 + OH = C2H3 + H2O 2.020E+13 0.00 5955.
-H + C2H4 = C2H5 2.600E+43 -9.25 52580.
-C2H5 + H = CH3 + CH3 1.000E+14 0.00 0.
-C2H5 + O2 = C2H4 + HO2 8.430E+11 0.00 3875.
-C2H2 + O = CH2 + CO 1.020E+07 2.00 1900.
-C2H2 + O = HCCO + H 1.020E+07 2.00 1900.
-H2 + C2H = C2H2 + H 4.090E+05 2.39 864.
-C2H3 = C2H2 + H 4.600E+40 -8.80 46200.
-C2H3 + H = C2H2 + H2 4.000E+13 0.00 0.
-C2H3 + O = CH2CO + H 3.000E+13 0.00 0.
-C2H3 + O2 = CH2O + HCO 4.000E+12 0.00 -250.
-C2H3 + O2 = C2H2 + HO2 1.580E+13 0.00 10060.
-C2H3 + OH = C2H2 + H2O 5.000E+12 0.00 0.
-C2H3 + CH2 = C2H2 + CH3 3.000E+13 0.00 0.
-C2H3 + C2H = C2H2 + C2H2 3.000E+13 0.00 0.
-C2H3 + CH = CH2 + C2H2 5.000E+13 0.00 0.
-OH + C2H2 = C2H + H2O 3.370E+07 2.00 14000.
-OH + C2H2 = HCCOH + H 5.040E+05 2.30 13500.
-OH + C2H2 = CH2CO + H 2.180E-04 4.50 -1000.
-OH + C2H2 = CH3 + CO 4.830E-04 4.00 -2000.
-C2H2 + O = C2H + OH 3.160E+15 -0.60 15000.
-HCCOH + H = CH2CO + H 1.000E+13 0.00 0.
-!
-CH2CO + O = CO2 + CH2 1.750E+12 0.00 1350.
-CH2CO + O = HCO + HCO 2.300E+13 0.00 2300.
-CH2CO + H = CH3 + CO 1.130E+13 0.00 3428.
-CH2CO + H = HCCO + H2 5.000E+13 0.00 8000.
-CH2CO + O = HCCO + OH 1.000E+13 0.00 8000.
-CH2CO + OH = HCCO + H2O 7.500E+12 0.00 2000.
-CH2CO + M = CH2 + CO + M 3.000E+14 0.00 70980.
-C2H + O2 = CO + CO + H 5.000E+13 0.00 1500.
-HCCO + H = CH2(S)+ CO 1.000E+14 0.00 0.
-HCCO + O = H + CO + CO 1.000E+14 0.00 0.
-HCCO + O2 = OH + CO + CO 1.600E+12 0.00 854.
-HCCO + CH = C2H2 + CO 5.000E+13 0.00 0.
-HCCO + HCCO = C2H2 + CO + CO 1.600E+12 0.00 854.
-C2H + O = CH + CO 5.000E+13 0.00 0.
-C2H + OH = HCCO + H 2.000E+13 0.00 0.
-C3H2 + O2 = HCCO + HCO 1.000E+13 0.00 0.
-C3H3 + O2 = CH2CO + HCO 3.000E+10 0.00 2868.
-C3H3 + O = CH2O + C2H 2.000E+13 0.00 0.
-C3H3 + OH = C3H2 + H2O 2.000E+13 0.00 0.
-C2H2 + O2 = HCCO + OH 2.000E+08 1.50 30100.
-C2H2 + M = C2H + H + M 4.200E+16 0.00 107000.
-C2H4 + M = C2H2 + H2 + M 1.500E+15 0.00 55800.
-H2 + O2 = OH + OH 1.700E+13 0.00 47780.
-H2 + OH = H2O + H 1.170E+09 1.30 3626.
-O + OH = O2 + H 8.000E+14 -0.60 0.
-!H + O2 = O + OH 8.300E+13 0.00 14413.
-O + H2 = OH + H 5.060E+04 2.67 6290.
-H + O2 + M = HO2 + M 3.610E+17 -0.72 0.
- H2O/21./ CO2/5.0/ H2/3.3/ CO/2.0/ AR/0.0/
-H + O2 + AR = HO2 + AR 7.000E+17 -0.80 0.
-OH + HO2 = H2O + O2 2.890E+13 0.00 497.
-H + HO2 = OH + OH 1.700E+14 0.00 874.
-O + HO2 = O2 + OH 1.400E+13 0.00 1073.
-OH + OH = O + H2O 6.000E+08 1.30 0.
-H + H + M = H2 + M 1.000E+18 -1.00 0.
- H2O/0./ H/2./ H2/0./ CO2/0./ AR/0.5/
-H + H + H2 = H2 + H2 9.200E+16 -0.60 0.
-H + H + H2O = H2 + H2O 6.000E+19 -1.25 0.
-H + H + CO2 = H2 + CO2 5.490E+20 -2.00 0.
-H + OH + M = H2O + M 1.600E+22 -2.00 0.
- H2/0.73/ H2O/3.65/ CH4/2.00/ C2H6/3.00/ AR/0.38/
-H + O + M = OH + M 5.000E+17 -1.00 0.
- H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/0.50/
-O + O + M = O2 + M 1.200E+17 -1.00 0.
- H2/ 2.40/ H2O/15.40/ CH4/ 2.00/ CO/ 1.75/ CO2/ 3.60/ C2H6/ 3.00/ AR/ 0.50/
-H + HO2 = H2 + O2 4.280E+13 0.00 1411.
-HO2 + HO2 = H2O2 + O2 3.020E+12 0.00 1390. ! 1.300E+11 .000 -1630.00
-H2O2 + M = OH + OH + M 1.200E+17 0.00 45500.
- AR/0.5/
-H2O2 + H = HO2 + H2 4.790E+13 0.00 7950.
-H2O2 + OH = H2O + HO2 1.000E+13 0.00 1800.
-H + HO2 = O + H2O 3.100E+10 0.00 1720.
-O + OH + M = HO2 + M 6.400E+15 0.00 0.
- AR/0.5/
-H2O2 + H = H2O + OH 1.000E+13 0.00 3590.
-H2O2 + O = H2O + O2 8.400E+11 0.00 4260.
-H2O2 + O = OH + HO2 2.000E+13 0.00 5900.
-H2 + HO2 = H2O + OH 6.500E+11 0.00 18800.
-C2H6 + CH = H + C3H6 1.100E+14 0.00 -263.
-C3H6 + O = CH3CO + CH3 5.000E+12 0.00 454.
-C3H6 + O = C2H5 + HCO 1.500E+12 0.00 0.
-CH3CO + H = CH2CO + H2 2.000E+13 0.00 0.
-CH3CO + O = CH3 + CO2 2.000E+13 0.00 0.
-CH3CO + CH3 = C2H6 + CO 5.000E+13 0.00 0.
-CH3CO = CH3 + CO 2.300E+26 -5.00 17970.
-!C2H3 + CH3 + M = C3H6 + M 5.000E+10 0.00 0.
-CH3 + C2H3 = C3H6 2.000E+13 0.00 0.
-CH3 + C2H2 = C3H5 6.000E+11 0.00 16000.
-C2H5 + C3H5 = C2H4 + C3H6 4.000E+11 0.00 0.
-C2H3 + C3H6 = C2H4 + C3H5 3.160E+12 0.00 31000.
-C3H5 + H = C3H6 2.000E+13 0.00 0.
-C2H6 + O2 = C2H5 + HO2 1.000E+13 0.00 48960.
-C2H4 + O2 = C2H3 + HO2 4.200E+13 0.00 57590.
-C2H5 + HO2 = C2H4 + H2O2 3.000E+11 0.00 0.
-!
-O3 + M = O2 + O + M 3.000E+14 0.00 22180.
-O3 + O = O2 + O2 1.000E+13 0.00 4570.
-O3 + H = O2 + OH 1.000E+14 0.00 890.
-O3 + OH = HO2 + O2 1.000E+12 0.00 1848.
-O3 + HO2 = OH + O2 + O2 1.000E+13 0.00 11000.
-!
-CH3OH = CH2OH + H 3.700E+15 0.00 96700.
-CH3OH = CH3O + H 4.500E+15 0.00 96700.
-CH3OH = CH3 + OH 3.800E+15 0.00 91700.
-CH3OH + O2 = CH2OH + HO2 2.050E+13 0.0 44906.
-CH3OH + H = CH2OH + H2 1.700E+07 2.10 4870.
-CH3OH + H = CH3O + H2 4.200E+06 2.10 4870.
-CH3OH + O = OH + CH2OH 3.880E+05 2.50 3100.
-CH3OH + O = OH + CH3O 1.300E+05 2.50 5000.
-CH3OH + OH = CH2OH + H2O 1.440E+06 2.00 -840.
-CH3OH + OH = CH3O + H2O 6.300E+06 2.00 1500.
-CH3OH + HO2 = CH2OH + H2O2 5.200E+13 0.00 19360.
-CH3OH + CH3 = CH2OH + CH4 3.000E+07 1.50 9940.
-CH3OH + CH3 = CH3O + CH4 1.000E+07 1.50 9940.
-CH3OH + CH3O = CH3OH + CH2OH 3.00E+11 0.0 4000.
-CH3O + CH3O = CH3OH + CH2O 1.200E+12 0.0 0.
-CH2OH + CH2OH = CH3OH + CH2O 1.200E+12 0.0 0.
-CH2OH + HCO = CH3OH + CO 1.200E+12 0.0 0.
-!
-C2H5OH = CH3 + CH2OH 3.020E+15 0.00 80600.
-C2H5OH = C2H5 + OH 5.000E+16 0.00 91210.
-C2H5OH = C2H4 + H2O 1.000E+14 0.00 76706.
-C2H5OH + O2 = CH3CHOH + HO2 4.000E+13 0.00 51000.
-C2H5OH + OH = CH3CHOH + H2O 8.000E+06 1.78 -1540.
-C2H5OH + H = C2H5 + H2O 2.400E+10 0.00 0.
-C2H5OH + H = CH3CHOH + H2 4.360E+12 0.00 4570.
-C2H5OH + O = CH3CHOH + OH 6.000E+05 2.46 1850.
-C2H5OH + HO2 = CH3CHOH + H2O2 6.310E+12 0.00 15000.
-C2H5OH + CH3 = CH3CHOH + CH4 4.000E+12 0.00 9690.
-C2H5OH + CH3O = CH3CHOH + CH3OH 2.000E+11 0.00 7000.
-C2H5OH + CH2O = CH3CHOH + CH3O 1.500E+12 0.00 79500.
-C2H5OH + C2H5 = CH3CHOH + C2H6 4.000E+13 0.00 10000.
-C2H5OH + CH2OH = CH3CHOH + CH3OH 4.000E+11 0.00 9700.
-!
-CH3CHOH + M = CH3HCO + H + M 5.000E+13 0.00 21850.
-CH3CHOH + O = CH3HCO + OH 9.040E+13 0.00 0.
-CH3CHOH + OH = CH3HCO + H2O 1.500E+13 0.00 0.
-CH3CHOH + H = CH3HCO + H2 2.000E+13 0.00 0.
-CH3CHOH + O2 = CH3HCO + HO2 8.400E+15 -1.20 0.
-CH3CHOH + HO2 = CH3HCO + OH + OH 1.000E+13 0.00 0.
-!
-CH3HCO = CH3 + HCO 7.080E+15 0.00 81760.
-CH3HCO = CH3CO + H 5.000E+14 0.00 87860.
-CH3HCO + O2 = CH3CO + HO2 2.000E+13 0.50 42200.
-CH3HCO + H = CH3CO + H2 4.000E+13 0.00 4200.
-CH3HCO + OH = CH3CO + H2O 1.000E+13 0.00 0.
-CH3HCO + O = CH3CO + OH 5.000E+12 0.00 1790.
-CH3HCO + CH3 = CH3CO + CH4 1.700E+12 0.00 8430.
-CH3HCO + HO2 = CH3CO + H2O2 1.700E+12 0.00 10700.
-C2H2 + C2H2 = C4H3 + H 2.000E+12 0.00 45900.
-C4H3 + M = C4H2 + H + M 1.000E+16 0.00 59700.
-C4H2 + O = C3H2 + CO 1.200E+12 0.00 0.
-C2H2 + C2H = C4H2 + H 4.000E+13 0.00 0.
-C3H4 + O = CH2O + C2H2 1.000E+12 0.00 0.
-C3H4 + OH = CH2O + C2H3 1.000E+12 0.00 0.
-C3H4 + O = HCO + C2H3 1.000E+12 0.00 0.
-C3H4 + OH = HCO + C2H4 1.000E+12 0.00 0.
-C3H6 + O = CH2O + C2H4 5.900E+13 0.00 0.
-C3H6 + OH = CH3 + CH3HCO 7.080E+12 0.00 0.
-C3H6 + OH = C3H5 + H2O 4.000E+12 0.00 0.
-C3H6 + OH = C2H5 + CH2O 8.000E+12 0.00 0.
-C3H6 + H = C3H5 + H2 5.000E+12 0.00 1500.
-C3H6 + CH3 = C3H5 + CH4 1.000E+11 0.00 8500.
-C3H6 + C2H5 = C3H5 + C2H6 1.000E+11 0.00 9200.
-C3H5 = C3H4 + H 4.000E+13 0.00 70000.
-C3H5 + O2 = C3H4 + HO2 6.020E+11 0.00 10000.
-C3H5 + H = C3H4 + H2 1.000E+13 0.00 0.
-C3H5 + CH3 = C3H4 + CH4 1.000E+12 0.00 0.
-!
-CH3 + O2 = CH3O2 9.020E+58 -15.0 17204.
-CH3O2 + HO2 = CH4O2 + O2 4.630E+10 0.0 -2583.
-CH3O2 + CH4 = CH4O2 + CH3 1.810E+11 0.0 18480.
-CH3O2 + CH3 = CH3O + CH3O 2.410E+13 0.0 0.
-CH3O2 + O = CH3O + O2 3.610E+13 0.0 0.
-CH3O2 + H = CH3O + OH 9.640E+13 0.0 0.
-CH3O2 + OH = CH3OH + O2 6.030E+13 0.0 0.
-CH3O2 + CH2O = CH4O2 + HCO 1.000E+12 0.0 11665.
-CH3O2 + CH3OH = CH4O2 + CH2OH 1.800E+12 0.0 13712.
-CH3O2 + C2H6 = CH4O2 + C2H5 2.950E+11 0.0 14944.
-CH4O2 = CH3O + OH 4.000E+15 0.0 42924.
-CH4O2 + OH = CH3O2 + H2O 8.200E+11 0.0 -258.
-!
-CH3OCH3 + H = CH3OCH2 + H2 8.400E+07 2.00 7700.
-CH3OCH3 + O = CH3OCH2 + OH 6.540E+06 2.40 5500.
-CH3OCH3 + OH = CH3OCH2 + H2O 6.560E+09 1.00 1590.
-CH3OCH3 + HO2 = CH3OCH2 + H2O2 4.200E+12 0.00 13875.
-CH3OCH3 + CH3O = CH3OCH2 + CH3OH 2.600E+12 0.00 7000.
-CH3OCH3 + O2 = CH3OCH2 + HO2 4.100E+13 0.00 44906.
-CH3OCH3 + CH3 = CH3OCH2 + CH4 1.950E+12 0.00 11600.
-CH3OCH3 = CH3+CH3O 2.620E+16 0.0 82202.
-CH3OCH3 = CH3OCH2 + H 2.588E+16 .265 104300.
-CH3OCH2 = CH3+CH2O 3.300E+14 0.0 31000. ! 4.3
-CH3OCH2 + CH3O = CH3OCH3 + CH2O 6.030E+13 0.0 0.
-CH3OCH2 + O2 = CH3OCH2OO 2.000E+42 -10.3 6080.
-CH3OCH2 + O2 = HCOOCH3 + OH 5.480E+13 0.0 8370.
-CH3OCH2 + HO2 = CH2O + CH3O + OH 3.000E+12 0.0 0.
-CH3OCH2 + H2O2 = CH2O + CH3O + H2O 3.000E+12 0.0 0.
-CH3OCH2OO + CH3OCH3 = CH3OCH2OOH+CH3OCH2 1.200E+12 0.0 14000. ! 2.2
-CH3OCH2OOH = CH3OCH2O + OH 8.200E+08 3.65 34000.
-CH3OCH2O = CH3O + CH2O 4.000E+14 0.0 15600.
-CH3OCH2O + O2 = HCOOCH3 + HO2 2.000E+12 0.0 6000.
-CH3OCH2OOH = CH2O + CH2O + H2O 8.800E+12 0.0 16000.
-CH3OCH3 + CH3O2 = CH3OCH2 + CH4O2 1.500E+13 0.0 13700. ! 2.0
-CH3O2 + CH3O2 = CH3O + CH3O + O2 6.300E+10 0.0 -600.
-CH3O2 + CH3O2 = CH3OCH2O + HO2 6.300E+10 0.0 -600.
-! new termination reactions
-CH3OCH2O + CH3 = CH4 + HCOOCH3 6.000E+13 0.0 0.
-CH3OCH2O + H = H2 + HCOOCH3 6.000E+13 0.0 0.
-CH3OCH2O + HO2 = H2O2 + HCOOCH3 6.000E+13 0.0 0.
-CH3OCH2O + O = OH + HCOOCH3 6.000E+13 0.0 0.
-CH3OCH2O + OH = H2O + HCOOCH3 6.000E+13 0.0 0.
-CH3OCH2O + C2H5 = C2H6 + HCOOCH3 6.000E+13 0.0 0.
-CH3OCH2O + CH3OCH2 = CH3OCH3 + HCOOCH3 6.000E+13 0.0 0.
-CH3OCH2O + CH3O = CH3OH + HCOOCH3 6.000E+13 0.0 0.
-HCOOCH3 = CH4 + CO2 6.000E+09 0.0 48520.
-HCOOCH3 = CH3O + HCO 6.200E+09 1.61 102580.
-HCOOCH3 + O = CH3OCO + OH 5.360E+11 0.6 2900.
-HCOOCH3 + H = CH3OCO + H2 1.620E+08 1.6 1980.
-HCOOCH3 + OH = CH3OCO + H2O 1.200E+09 1.3 -280.
-HCOOCH3 + HO2 = CH3OCO + H2O2 4.000E+12 0.0 12060.
-HCOOCH3 + CH3 = CH3OCO + CH4 9.900E-03 4.5 3420.
-HCOOCH3 + CH3O = CH3OCO + CH3OH 1.020E+11 0.0 2980.
-HCOOCH3 + CH3OCH2 = CH3OCO + CH3OCH3 1.100E-03 4.9 3480.
-CH3OCO = CO2 + CH3 1.000E+11 1.1 860.
-!
-H + CH = C + H2 1.100E+14 0.0 0.
-C + O2 = O + CO 5.800E+13 0.0 576.
-C + CH2 = H + C2H 5.000E+13 0.0 0.
-C + CH3 = H + C2H2 5.000E+13 0.0 0.
-END
diff --git a/applications/test/readCHEMKINIII/CHEMKINdata/chem.inp_c7h16 b/applications/test/readCHEMKINIII/CHEMKINdata/chem.inp_c7h16
deleted file mode 100644
index 044d753..0000000
--- a/applications/test/readCHEMKINIII/CHEMKINdata/chem.inp_c7h16
+++ /dev/null
@@ -1,533 +0,0 @@
-ELEMENTS
- H O C N AR
-END
-SPECIE
-C7H16 O2 N2 CO CO2
-H H2 O H2O OH
-HO2 H2O2 CH4 CH3 CH3O
-CH2 CH2O CH3O2 CH4O2 HCO HCCO CH2CO
-C7H15-1 C7H15-2 C7H15O2 C7H14O2H C7H14O2HO2
-C7KET21 C6H12 C5H11CHO C5H11CO C5H11
-C4H9 C4H C4H2 C4H3
-C3H7 C3H6 C3H5 C3H4 C3H3 C3H2
-C2H C2H2 C2H3 C2H4 C2H5 C2H6
-N2O NO N
-C3H8 CH2CHO CH3CHO CH3CO CH2OH
-!A1 A1- C(S)
-AR
-THERMO ! 1995 NASA COMPILATION + CURRAN DATA
-CH3O2 L 1/84C 1H 3O 2N 0G 300.000 5000.00 1
- 0.66812963E 01 0.80057271E-02-0.27188507E-05 0.40631365E-09-0.21927725E-13 2
- 0.52621851E 03-0.99423847E 01 0.20986490E 01 0.15786357E-01 0.75683261E-07 3
--0.11274587E-07 0.56665133E-11 0.20695879E 04 0.15007068E 02 4
-CH4O2 T11/96C 1H 4O 2 0G 200.000 6000.000 1
- 6.86907934E+00 1.00840883E-02-3.66515947E-06 5.96302681E-10-3.58894156E-14 2
--1.98402231E+04-1.24951986E+01 3.72654981E+00 7.51851847E-03 2.35970425E-05 3
--3.52694507E-08 1.42757614E-11-1.83982011E+04 6.52443362E+00-1.68074366E+04 4
-C2H5OH L 8/88C 2H 6O 1N 0G 200.000 6000.000 1
- 0.65624365E+01 0.15204222E-01-0.53896795E-05 0.86225011E-09-0.51289787E-13 2
--0.31525621E+05-0.94730202E+01 0.48586957E+01-0.37401726E-02 0.69555378E-04 3
--0.88654796E-07 0.35168835E-10-0.29996132E+05 0.48018545E+01-0.28257829E+05 4
-C2H3 T06/93C 2H 3 0 0G 200.000 6000.000 1
- 0.47025310E+01 0.72642283E-02-0.25801992E-05 0.41319944E-09-0.24591492E-13 2
- 0.34029675E+05-0.14293714E+01 0.30019602E+01 0.30304354E-02 0.24444315E-04 3
--0.35810242E-07 0.15108700E-10 0.34868173E+05 0.93304495E+01 0.36050230E+05 4
-C3H3 BUR 92C 3H 3O 0N 0G 200.000 6000.000 1
- 6.64175821E+00 8.08587428E-03-2.84787887E-06 4.53525977E-10-2.68879815E-14 2
- 3.89793699E+04-1.04004255E+01 1.82840766E+00 2.37839036E-02-2.19228176E-05 3
- 1.00067444E-08-1.38984644E-12 4.01863058E+04 1.38447957E+01 4.16139977E+04 4
-C3H4 L12/92C 3H 4O 0N 0G 200.000 6000.000 1
- 6.31694869E+00 1.11336262E-02-3.96289018E-06 6.35633775E-10-3.78749885E-14 2
- 2.01174617E+04-1.09718862E+01 2.61307487E+00 1.21223371E-02 1.85405400E-05 3
--3.45258475E-08 1.53353389E-11 2.15415642E+04 1.02503319E+01 2.29622672E+04 4
-C3H5 BUR 92C 3H 5O 0N 0G 200.000 6000.000 1
- 6.54761132E+00 1.33152246E-02-4.78333100E-06 7.71949814E-10-4.61930808E-14 2
- 1.72714707E+04-9.27486841E+00 3.78794693E+00 9.48414335E-03 2.42343368E-05 3
--3.65604010E-08 1.48592356E-11 1.86261218E+04 7.82822499E+00 2.03259122E+04 4
-C3H6 120186C 3H 6 G 0300.00 5000.00 1000.00 1
- 0.06732257E+02 0.01490834E+00-0.04949899E-04 0.07212022E-08-0.03766204E-12 2
--0.09235703E+04-0.01331335E+03 0.01493307E+02 0.02092518E+00 0.04486794E-04 3
--0.01668912E-06 0.07158146E-10 0.01074826E+05 0.01614534E+03 4
-C4H2 L 2/93C 4H 2O 0N 0G 200.000 6000.000 1
- 8.66704895E+00 6.71505191E-03-2.35355060E-06 3.73635366E-10-2.21054043E-14 2
- 5.10016978E+04-2.18002050E+01-4.07132393E-01 5.20775143E-02-9.21138340E-05 3
- 8.08657403E-08-2.70422080E-11 5.25957367E+04 2.03240223E+01 5.41222513E+04 4
-C4H3 L 9/89C 4H 3O 0N 0G 298.150 6000.000 1
- 0.84762079E+01 0.88782327E-02-0.30328412E-05 0.47358302E-09-0.27716627E-13 2
- 0.54756540E+05-0.17170551E+02 0.24173247E+01 0.24104782E-01-0.12813470E-04 3
--0.28606237E-08 0.39194527E-11 0.56506476E+05 0.14471107E+02 0.58181574E+05 4
-C4H4 L 9/89C 4H 4O 0N 0G 200.000 6000.000 1
- 0.82948104E+01 0.11994381E-01-0.42624075E-05 0.68306978E-09-0.40680631E-13 2
- 0.33550866E+05-0.18426826E+02 0.14049083E+01 0.29531073E-01-0.15596302E-04 3
--0.32142002E-08 0.45436937E-11 0.35507830E+05 0.17450183E+02 0.37097268E+05 4
-CH3OCH3 L12/92C 2H 6O 1N 0G 200.000 6000.000 1
- 5.64844183E+00 1.63381899E-02-5.86802367E-06 9.46836869E-10-5.66504738E-14 2
--2.51074690E+04-5.96264939E+00 5.30562279E+00-2.14254272E-03 5.30873244E-05 3
--6.23147136E-08 2.30731036E-11-2.39866295E+04 7.13264209E-01-2.21432171E+04 4
-CH3OCH2 T11/82C 2H 5O 1N 0G 300.000 5000.0 1
- 0.65567484E+01 0.12180723E-01-0.40628420E-05 0.59495830E-09-0.31276214E-13 2
--0.40282515E+04-0.81302772E+01 0.35953999E+01 0.13379216E-01 0.53914910E-05 3
--0.10947097E-07 0.38193320E-11-0.27021975E+04 0.92850365E+01 4
-CH3OCH2OOH Jan96 C 2H 6O 3N 0G 300.00 3000.00 1000. 1
- 7.66981055E+00 2.35536769E-02-1.15031834E-05 2.84464629E-09-2.79520304E-13 2
--3.96295537E+04-1.39224857E+01 3.05518950E-02 4.90560834E-02-4.43030986E-05 3
- 2.21548123E-08-4.66587486E-12-3.80282020E+04 2.43189660E+01 4
-CH3OCH2OO Jan96 C 2H 5O 3N 0G 300.00 3000.00 1000. 1
- 8.06217488E+00 2.05153644E-02-1.00803231E-05 2.50244952E-09-2.46544863E-13 2
--2.19951127E+04-1.59505736E+01 4.74967287E-01 4.68199208E-02-4.55041928E-05 3
- 2.44627078E-08-5.51108848E-12-2.04517448E+04 2.17234867E+01 4
-CH3OCH2O Jan96 C 2H 5O 2N 0G 300.00 3000.00 1000. 1
- 5.98450336E+00 1.93302785E-02-9.44575204E-06 2.33651645E-09-2.29626013E-13 2
--2.12266609E+04-7.95685946E+00-1.22386711E-01 3.94270827E-02-3.47990406E-05 3
- 1.69073231E-08-3.44801024E-12-1.99352987E+04 2.26909497E+01 4
-CH3OCHO Jan96 C 2H 4O 2N 0G 300.00 3000.00 1000. 1
- 5.46071782E+00 1.70659166E-02-8.38236448E-06 2.08015776E-09-2.04870146E-13 2
--4.58756417E+04-3.33482124E+00-4.40150386E-01 3.69251939E-02-3.41468832E-05 3
- 1.73800460E-08-3.70831952E-12-4.46516329E+04 2.61277510E+01 4
-HCOOCH3 C 2H 4O 2N 0G 300.000 5000.000 1
- 0.83982000E 01 0.11267000E-01-0.41325000E-05 0.72745000E-09-0.48932000E-13 2
--0.48328000E 05-0.18820000E 02-0.15323000E 01 0.43051000E-01-0.45098000E-04 3
- 0.26064000E-07-0.63345000E-11-0.45711000E 05 0.31603000E 02 4
-HCOOH L 8/88C 1H 2O 2N 0G 200.000 6000.000 1
- 5.69579404E+00 7.72237361E-03-3.18037808E-06 5.57949466E-10-3.52618226E-14 2
--4.81599723E+04-6.01680080E+00 3.23262453E+00 2.81129582E-03 2.44034975E-05 3
--3.17501066E-08 1.20631660E-11-4.67785606E+04 9.86205647E+00-4.55312460E+04 4
-COOCH3 C 2H 3O 2 0G 300.000 5000.000 1
- 0.76505900E 01 0.99082000E-02-0.37559700E-05 0.67845900E-09-0.46572100E-13 2
--0.24947700E 05-0.12937300E 02-0.89045900E 00 0.38842600E-01-0.42829300E-04 3
- 0.25682800E-07-0.63729700E-11-0.22835200E 05 0.29911300E 02 4
-C7H16 P10/95C 7H 16 0 0G 300.000 5000.000 1391.000 1
- 2.22148969e+01 3.47675750e-02-1.18407129e-05 1.83298478e-09-1.06130266e-13 2
--3.42760081e+04-9.23040196e+01-1.26836187e+00 8.54355820e-02-5.25346786e-05 3
- 1.62945721e-08-2.02394925e-12-2.56586565e+04 3.53732912e+01 4
-C7H15-1 2/10/95 C 7H 15 0 0G 300.000 5000.000 1391.000 1
- 2.17940709e+01 3.26280243e-02-1.11138244e-05 1.72067148e-09-9.96366999e-14 2
--9.20938221e+03-8.64954311e+01-4.99570406e-01 8.08826467e-02-5.00532754e-05 3
- 1.56549308e-08-1.96616227e-12-1.04590223e+03 3.46564011e+01 4
-C7H15-2 2/10/95 C 7H 15 0 0G 300.000 5000.000 1391.000 1
- 2.16368842e+01 3.23324804e-02-1.09273807e-05 1.68357060e-09-9.71774091e-14 2
--1.05873616e+04-8.52209653e+01-3.79155767e-02 7.56726570e-02-4.07473634e-05 3
- 9.32678943e-09-4.92360745e-13-2.35605303e+03 3.37321506e+01 4
-C7H15O2 7/23/98 C 7.H 15.O 2. 0.G 300.000 5000.000 1
- 2.49023689e+01 3.50716920e-02-1.20440306e-05 1.87464822e-09-1.08947791e-13 2
--2.82976050e+04-9.73923542e+01 2.37499334e+00 8.34651906e-02-5.13897320e-05 3
- 1.64217662e-08-2.19505216e-12-1.99237961e+04 2.53067342e+01 4
-C7H14O2H 7/23/98 C 7.H 15.O 2. 0.G 300.000 5000.000 1
- 2.70028807e+01 3.22272216e-02-1.09366516e-05 1.68977918e-09-9.77321946e-14 2
--2.27229231e+04-1.06332170e+02 2.49875186e+00 8.32443344e-02-4.85933986e-05 3
- 1.28927950e-08-1.09878385e-12-1.36530733e+04 2.73754005e+01 4
-C7H14O2HO2 7/23/98 C 7.H 15.O 4. 0.G 300.000 5000.000 1
- 3.23937788e+01 3.33911097e-02-1.15672104e-05 1.81146023e-09-1.05739941e-13 2
--4.36321048e+04-1.32597311e+02 3.84933185e+00 9.45955097e-02-5.94934121e-05 3
- 1.78836457e-08-2.00618696e-12-3.32051631e+04 2.25912030e+01 4
-C7KET12 7/23/98 C 7.H 14.O 3. 0.G 300.000 5000.000 1
- 2.97472906e+01 3.06622294e-02-1.05563590e-05 1.64627343e-09-9.58171675e-14 2
--5.66856828e+04-1.22432490e+02 5.82433697e-01 1.01207869e-01-7.65855996e-05 3
- 3.00738606e-08-4.82902792e-12-4.68054419e+04 3.33331449e+01 4
-C7KET21 2/10/95 C 7.H 14.O 3. 0.G 300.000 5000.000 1382.000 1
- 2.80512936e+01 3.27356029e-02-1.14107044e-05 1.79404506e-09-1.05002142e-13 2
--5.89640173e+04-1.11392338e+02 4.19023030e+00 8.43118237e-02-5.44315814e-05 3
- 1.85837721e-08-2.72768938e-12-5.00570382e+04 1.85783455e+01 4
-C6H12 2/14/95 C 6.H 12.O 0. 0.G 300.000 5000.000 1
- 1.78337529e+01 2.67377658e-02-9.10036773e-06 1.40819768e-09-8.15124244e-14 2
--1.42062860e+04-6.83818851e+01-1.35275205e+00 6.98655426e-02-4.59408022e-05 3
- 1.56967343e-08-2.21296175e-12-7.34368617e+03 3.53120691e+01 4
-C5H11CHO 2/29/96 C 6H 12O 1 0G 300.000 5000.000 1
- 1.98891043e+01 2.71869340e-02-9.27391515e-06 1.43744158e-09-8.33090761e-14 2
--3.97523444e+04-7.60741671e+01 1.37517192e+00 6.65669689e-02-4.04423050e-05 3
- 1.23836270e-08-1.52905857e-12-3.28740986e+04 2.48343934e+01 4
-C5H11CO 2/29/96 C 6.H 11.O 1. 0.G 300.000 5000.000 1
- 1.94783812e+01 2.50466029e-02-8.54861346e-06 1.32557944e-09-7.68503296e-14 2
--2.07923937e+04-7.21995578e+01 2.14479069e+00 6.17863563e-02-3.74134690e-05 3
- 1.13283795e-08-1.36917698e-12-1.43451172e+04 2.23128045e+01 4
-C5H11 T03/97C 5.H 11. 0. 0.G 298.150 5000.000 1
- 1.13324106E+01 3.03659897E-02-1.13934480E-05 1.99539733E-09-1.32825012E-13 2
--5.95299959E+03-3.13564905E+01 3.57867617E+00 3.04236365E-02 3.27768270E-05 3
--5.86453147E-08 2.39315107E-11-2.60420265E+03 1.42591121E+01 6.68760000E+03 4
-C4H9 P10/84C 4.H 9. 0. 0.G 200.000 6000.000 1
- 9.43040607E+00 2.34271349E-02-8.53599182E-06 1.39748355E-09-8.44057456E-14 2
- 2.14214862E+03-2.42207994E+01 3.54885235E+00 1.78747638E-02 5.00782825E-05 3
--7.94475071E-08 3.35802354E-11 4.74011588E+03 1.11849382E+01 6.89397210E+03 4
-C3H7 N-L 9/84C 3H 7 0 0G 300.000 5000.000 1
- 0.77026987E 01 0.16044203E-01-0.52833220E-05 0.76298590E-09-0.39392284E-13 2
- 0.82984336E 04-0.15480180E 02 0.10515518E 01 0.25991980E-01 0.23800540E-05 3
--0.19609569E-07 0.93732470E-11 0.10631863E 05 0.21122559E 02 0.12087447E 05 4
-C2H2 L 1/91C 2.H 2. 0. 0.G 200.000 6000.000 1
- 4.65878504E+00 4.88396547E-03-1.60828775E-06 2.46974226E-10-1.38605680E-14 2
- 2.57594044E+04-3.99834772E+00 8.08681094E-01 2.33615629E-02-3.55171815E-05 3
- 2.80152437E-08-8.50072974E-12 2.64289807E+04 1.39397051E+01 2.74459950E+04 4
-C2H4O L 8/88C 2H 4O 1 0G 200.000 6000.000 1
- 0.54887641E+01 0.12046190E-01-0.43336931E-05 0.70028311E-09-0.41949088E-13 2
--0.91804251E+04-0.70799605E+01 0.37590532E+01-0.94412180E-02 0.80309721E-04 3
--0.10080788E-06 0.40039921E-10-0.75608143E+04 0.78497475E+01-0.63304657E+04 4
-A1 MF /94C 6H 6 0 0G 300.000 4000.000 1
- 0.17246994E+02 0.38420164E-02 0.82776232E-05-0.48961120E-08 0.76064545E-12 2
- 0.26646055E+04-0.71945175E+02-0.48998680E+01 0.59806932E-01-0.36710087E-04 3
- 0.32740399E-08 0.37600886E-11 0.91824570E+04 0.44095642E+02 4
-A1- MF /94C 6H 5 0 0G 300.000 4000.000 1
- 0.14493439E+02 0.75712688E-02 0.37894542E-05-0.30769500E-08 0.51347820E-12 2
- 0.33189977E+05-0.54288940E+02-0.49076147E+01 0.59790771E-01-0.45639827E-04 3
- 0.14964993E-07-0.91767826E-12 0.38733410E+05 0.46567780E+02 4
-CH3CHO L 8/88C 2H 4O 1 G 200.000 6000.000 1000.000 1
- 0.54041108E+01 0.11723059E-01-0.42263137E-05 0.68372451E-09-0.40984863E-13 2
--0.22593122E+05-0.34807917E+01 0.47294595E+01-0.31932858E-02 0.47534921E-04 3
--0.57458611E-07 0.21931112E-10-0.21572878E+05 0.41030159E+01 4
-CH2CHO SAND86O 1H 3C 2 G 300.000 5000.000 1000.000 1
- 0.05975670E+02 0.08130591E-01-0.02743624E-04 0.04070304E-08-0.02176017E-12 2
- 0.04903218E+04-0.05045251E+02 0.03409062E+02 0.10738574E-01 0.01891492E-04 3
--0.07158583E-07 0.02867385E-10 0.15214766E+04 0.09558290E+02 4
-END
-REACTIONS
- C7H16 + O2 = C7H15-1 + HO2 2.500E+13 0.0 48810.0! 1
- C7H16 + O2 = C7H15-2 + HO2 2.800E+14 0.0 47180.0! 2
- C7H16 + H = C7H15-1 + H2 5.600E+07 2.0 7667.0! 3
- C7H16 + H = C7H15-2 + H2 4.380E+07 2.0 4750.0! 4
- C7H16 + OH = C7H15-1 + H2O 8.600E+09 1.10 1815.0! 5
- C7H16 + OH = C7H15-2 + H2O 4.800E+09 1.30 690.5! 6
- C7H16 + HO2 = C7H15-1 + H2O2 8.000E+12 0.0 19300.0! 7
- C7H16 + HO2 = C7H15-2 + H2O2 1.000E+13 0.0 16950.0! 8
- C7H16 + CH3 = C7H15-1 + CH4 1.300E+12 0.0 1.160E+4! 9
- C7H16 + CH3 = C7H15-2 + CH4 8.000E+11 0.0 9.500E+3! 10
- C7H16 = C7H15-1 + H 3.972E+19 -0.95 1.032E+5! 11
- C7H16 = C7H15-2 + H 1.248E+21 -1.34 1.007E+5! 12
- C7H16 = C4H9 + C3H7 2.000E+16 0.0 80710.0! 13
-!
- C7H15-1 + O2 = C7H15O2 2.000E+12 0.0 0.0! 14
- C7H15-2 + O2 = C7H15O2 2.000E+12 0.0 0.0! 15
- C7H15O2 = C7H14O2H 6.000E+11 0.0 20380.0! 16
- C7H14O2H + O2 = C7H14O2HO2 2.340E+11 0.0 0.0! 17
- C7H14O2HO2 = C7KET21 + OH 2.965E+13 0.0 2.670E+4! 18
- C7KET21 = C5H11CO + CH2O + OH 1.000E+16 0.0 4.240E+4! 19
- C5H11CHO + O2 = C5H11CO + HO2 2.000E+13 0.5 4.220E+4! 20
- C5H11CHO + OH = C5H11CO + H2O 1.000E+13 0.0 0.000E+0! 21
- C5H11CHO + H = C5H11CO + H2 4.000E+13 0.0 4.200E+3! 22
- C5H11CHO + O = C5H11CO + OH 5.000E+12 0.0 1.790E+3! 23
- C5H11CHO + HO2 = C5H11CO + H2O2 2.800E+12 0.0 1.360E+4! 24
- C5H11CHO + CH3 = C5H11CO + CH4 1.700E+12 0.0 8.440E+3! 25
- C5H11CHO + CH3O2 = C5H11CO + CH4O2 1.000E+12 0.0 9.500E+3! 26
- C5H11CO = C5H11 + CO 1.000E+11 0.0 9.600E+3! 27
- C5H11 = C2H5 + C3H6 3.200E+13 0.0 28300.0! 28
- C7H15-1 = C2H4 + C5H11 2.500E+13 0.0 28810.0! 29
- C7H15-2 = CH3 + C6H12 3.000E+13 0.0 29800.0! 30
- C6H12 = C3H7 + C3H5 1.000E+16 0.0 68000.0! 31
- C7H15-2 = C4H9 + C3H6 1.200E+13 0.0 29600.0! 32
- C7H15-1 = C7H15-2 2.000E+11 0.0 18100.0! 33
- C4H9 = C3H6 + CH3 2.232E+17 -1.40 30830.0! 34
- C4H9 = C2H5 + C2H4 2.500E+13 0.0 28810.0! 35
- C3H7 = C2H4 + CH3 9.600E+13 0.0 30950.0! 36
- C3H7 = C3H6 + H 1.250E+14 0.0 36900.0! 37
- C3H7 + O2 = C3H6 + HO2 1.000E+12 0.0 4980.0! 38
- C3H6 = C2H3 + CH3 6.150E+15 0.0 85500.0! 39 ! 3.15
- C3H6 + H = C3H5 + H2 5.000E+12 0.0 1500.0! 40
- C3H6 + CH3 = C3H5 + CH4 9.000E+12 0.0 8480.0! 41
- C3H6 + O2 = C3H5 + HO2 4.000E+12 0.0 39900.0! 42
- C3H6 + OH = CH3CHO + CH3 3.500E+11 0.0 0.0! 43
- C3H5 = C3H4 + H 4.000E+13 0.0 69760.0! 44
- C3H5 + H = C3H4 + H2 1.000E+13 0.0 0.0! 45
- C3H5 + O2 = C3H4 + HO2 6.000E+11 0.0 10000.0! 46
- C3H4 + OH = C2H3 + CH2O 1.000E+12 0.0 0.0! 47
- C3H4 + OH = C2H4 + HCO 1.000E+12 0.0 0.0! 48
- C3H4 + O2 = C3H3 + HO2 4.000E+13 0.0 39160.0! 49
-!
- C2H5 + O = CH3CHO + H 5.300E+13 0.0 0.0! 50
- C2H4 + HO2 = CH3CHO + OH 2.200E+13 0.0 17200.0! 51
- C2H4 + CH3O = CH3CHO + CH3 3.000E+13 0.0 14500.0! 52
- C2H4 + CH3O2 = CH3CHO + CH3O 7.000E+13 0.0 14500.0! 53
-!C2H3 + OH = CH3CHO 3.000E+13 0.0 0.0!
- CH3CHO = CH3 + HCO 7.080E+15 0.00 81760. ! 54
-!CH3CHO = CH3CO + H 5.000E+14 0.00 87860. !
- CH3CO + M = CH3 + CO + M 1.800E+16 0.00 1.44E+4! 55
- CH3CHO + O2 = CH3CO + HO2 2.000E+13 0.50 42200. ! 56
- CH3CHO + H = CH3CO + H2 4.100E+13 0.00 4200. ! 57
- CH3CHO + OH = CH3CO + H2O 1.000E+13 0.00 0. ! 58
- CH3CHO + O = CH3CO + OH 5.800E+12 0.00 1790. ! 59
- CH3CHO + CH3 = CH3CO + CH4 1.700E+12 0.0 8440.0! 60
- CH3CHO + CH2 = CH3CO + CH3 1.660E+12 0.0 3510. ! 61
- CH3CHO + HO2 = CH3CO + H2O2 1.700E+12 0.00 10700. ! 62
- CH3CHO + CH3O2 = CH3CO + CH4O2 1.150E+11 0.0 10000.0! 63
- CH3CO + O = CH3 + CO2 1.000E+13 0.00 0. ! 64
- CH3CO + H = CH3 + HCO 1.000E+14 0.0 0. ! 65
- CH3CO + OH = CH3 + CO + OH 3.000E+13 0.0 0. ! 66
- CH3CO + HO2 = CH3 + CO2 + OH 3.000E+13 0.0 0. ! 67
- CH3CO + CH3 = C2H6 + CO 5.000E+13 0.00 0. ! 68
-!
- CH3O + CO = CH3 + CO2 1.570E+14 0.00 11800. ! 69
- CH3O + H = CH2O + H2 2.000E+13 0.00 0. ! 70
- CH3O + OH = CH2O + H2O 1.000E+13 0.00 0. ! 71
- CH3O + O = CH2O + OH 1.000E+13 0.00 0. ! 72
- CH3O + O2 = CH2O + HO2 1.200E+11 0.00 2600. ! 73
- CH3O (+M) = CH2O + H (+M) 2.000E+13 0.00 27420.0! 74
- LOW /2.344E+25 -2.7 3.060E+04/
- CH3 + HO2 = CH3O + OH 4.300E+13 0.00 0. ! 75
- CH3 + O2 = CH3O + O 3.670E+13 0.00 30000. ! 76
- CH3 + O2 = CH2O + OH 4.800E+10 0.00 9000. ! 77 4.8 9000
- CH3 + O2 = CH3O2 3.020E+59 -15.0 17204. ! 78 3.02
-!
- CH3O2 + HO2 = CH4O2 + O2 4.630E+11 0.0 -2583. ! 79
- CH3O2 + CH4 = CH4O2 + CH3 1.810E+11 0.0 18480. ! 80
- CH3O2 + CH3 = CH3O + CH3O 2.410E+13 0.0 0. ! 81 2.410E+13
- CH3O2 + O = CH3O + O2 3.610E+13 0.0 0. ! 82
- CH3O2 + H = CH3O + OH 9.640E+13 0.0 0. ! 83
- CH3O2 + CH2O = CH4O2 + HCO 1.000E+12 0.0 11665. ! 84
- CH3O2 + C2H6 = CH4O2 + C2H5 2.950E+11 0.0 14944. ! 85
- CH3O2 + CH3O2 = CH3O + CH3O + O2 2.800E+11 0.0 -780. ! 86 11
- CH3O2 + H2O2 = CH4O2 + HO2 2.400E+12 0.0 10000. ! 87
- CH4O2 = CH3O + OH 3.000E+16 0.0 42920. ! 88 6.000E+16
- CH3O2 + C2H4 = C2H3 + CH4O2 7.100E+11 0.0 17110. ! 89
- CH4O2 + OH = CH3O2 + H2O 1.000E+13 0.0 -258. ! 90 ! 8.2
- CH4O2 + O = CH3O2 + OH 2.000E+13 0.0 4750. ! 91
- CH3 + O = CH2O + H 8.000E+13 0.00 0. ! 92
- CH3 + OH = CH2 + H2O 7.500E+06 2.00 5000. ! 93
- CH3 + OH = CH2O + H2 4.000E+12 0.00 0. ! 94
- CH3O + H = CH3 + OH 1.000E+14 0.00 0. ! 95
- CO + O + M = CO2 + M 6.170E+14 0.00 3000. ! 96
- CO + OH = CO2 + H 3.510E+07 1.30 -758. ! 97
- CO + O2 = CO2 + O 1.600E+13 0.00 41000. ! 98
- HO2 + CO = CO2 + OH 5.800E+13 0.00 22930. ! 99
-!
- H2 + O2 = OH + OH 1.700E+13 0.00 47780. !100
- H2 + OH = H2O + H 1.170E+09 1.30 3626. !101
- O + OH = O2 + H 4.000E+14 -0.50 0. !102
- O + H2 = OH + H 5.060E+04 2.67 6290. !103
- H + HO2 = O + H2O 3.100E+10 0.00 3590. !104
- O + OH + M = HO2 + M 1.000E+16 0.00 0. !105
- H2O/6.0/ CO2/5.0/ H2/3.3/ CO/2.0/ N2/0.70/
- H + O2 + M = HO2 + M 2.800E+18 -.86 0.0!106
- O2/ .00/ H2O/ .00/ CO/ .75/ CO2/1.50/ C2H6/1.50/ N2/0.0/
- H + O2 + O2 = HO2 + O2 2.080E+19 -1.24 0.0!107
- H + O2 + H2O = HO2 + H2O 11.26E+18 -.76 0.0!108
- H + O2 + N2 = HO2 + N2 2.600E+19 -1.24 0.0!109
- OH + HO2 = H2O + O2 7.500E+12 0.00 0. !110
- H + HO2 = OH + OH 1.700E+14 0.0 875. !111
- O + HO2 = O2 + OH 1.400E+13 0.00 1073. !112
- OH + OH = O + H2O 6.000E+08 1.30 0. !113
- H + H + M = H2 + M 1.000E+18 -1.00 0. !114
- H2/0./ H2O/0./ CO2/0./
- H + H + H2 = H2 + H2 9.200E+16 -0.60 0. !115
- H + H + H2O = H2 + H2O 6.000E+19 -1.25 0. !116
- H + H + CO2 = H2 + CO2 5.490E+20 -2.00 0. !117
- H + OH + M = H2O + M 1.600E+22 -2.00 0. !118
- H + O + M = OH + M 6.200E+16 -0.60 0. !119
- O + O + M = O2 + M 1.890E+13 0.00 -1788. !120
- H + HO2 = H2 + O2 1.250E+13 0.00 0. !121
- HO2 + HO2 = H2O2 + O2 2.000E+12 0.00 0. !122
- OH + OH (+M) = H2O2 (+M) 7.600E+13 -.37 0. !123
- LOW / 4.300E+18 -.900 -1700.00/
- TROE/ .7346 94.00 1756.00 5182.00 /
- H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ N2/0.70/
- H2O2 + H = HO2 + H2 1.600E+12 0.00 3800. !124
- H2O2 + OH = H2O + HO2 1.000E+13 0.00 1800. !125
- H2O2 + H = H2O + OH 1.000E+13 0.00 3590. !126
- H2O2 + O = H2O + O2 8.400E+11 0.00 4260. !127
- H2O2 + O = OH + HO2 2.000E+13 0.00 5900. !128
- H2 + HO2 = H2O + OH 6.500E+11 0.00 18800. !129
-!
- CO2 + N = NO + CO 1.900E+11 0.00 3400. !130
- N2O + O = N2 + O2 1.400E+12 0.00 10810. !131
- N2O + O = NO + NO 2.900E+13 0.00 23150. !132
- N2O + H = N2 + OH 4.400E+14 0.00 18880. !133
- N2O + OH = N2 + HO2 2.000E+12 0.00 21060. !134
- N2O + M = N2 + O + M 1.300E+11 0.00 59620. !135
- N + NO = N2 + O 3.270E+12 0.30 0. !136
- N + O2 = NO + O 6.400E+09 1.00 6280. !137
- N + OH = NO + H 7.333E+13 0.00 1120. !138
-!
- CH2O + O2 = HCO + HO2 6.200E+13 0.00 39000. !139
- CH2O + O = HCO + OH 4.100E+11 0.57 2760. !140 4.1
- CH2O + H = HCO + H2 2.190E+08 1.80 3000. !141
- CH2O + OH = HCO + H2O 2.430E+10 1.18 -447. !142
- CH2O + HO2 = HCO + H2O2 3.000E+12 0.00 8000. !143
- CH2O + M = CO + H2 + M 6.250E+15 0.00 69540. !144
- CH2O + M = HCO + H + M 3.300E+16 0.00 81000. !145
-!H2 + CO = CH2O 4.300E+07 1.50 79600. !
- HCO + HCO = CH2O + CO 3.010E+13 0.00 0. !146
- HCO + OH = H2O + CO 1.000E+14 0.00 0. !147
- HCO + H = H2 + CO 1.190E+13 0.30 0. !148
- HCO + O = OH + CO 3.000E+13 0.00 0. !149
- HCO + O = H + CO2 3.000E+13 0.00 0. !150
- HCO + O2 = HO2 + CO 3.300E+13 -0.40 0. !151
- HCO + M = H + CO + M 1.870E+17 -1.00 17000. !152
-!HCO + H + M = CH2O + M 1.000E+12 0.48 -260. !
- HCO + HO2 = CO2 + OH + H 3.000E+13 0.00 0. !153
- CH4 + O2 = CH3 + HO2 7.900E+13 0.00 56000. !154
-!CH3 + HO2 = CH4 + O2 1.000E+12 0.00 0. !
- CH4 + H = CH3 + H2 6.600E+08 1.60 10840. !155
- CH4 + OH = CH3 + H2O 1.600E+06 2.10 2460. !156
- CH4 + O = CH3 + OH 1.020E+09 1.50 8604. !157
- CH4 + HO2 = CH3 + H2O2 1.000E+13 0.00 18700. !158
- CH4 + CH2 = CH3 + CH3 4.000E+12 0.00 -570. !159
- CH3 + CH2O = CH4 + HCO 5.500E+03 2.80 6000. !160
- CH3 + HCO = CH4 + CO 1.200E+14 0.00 0. !161
- CH3 + H = CH4 1.900E+36 -7.00 9050. !162
- CH3 + H = CH2 + H2 9.000E+13 0.00 15100. !163
- CH3 + CH3O = CH4 + CH2O 3.300E+14 0.00 0. !164 3.3
-!CH3 + CH3 = C2H6 2.700D+53 -12.0 19400. !
- CH3 + CH3 (+M) = C2H6 (+M) 2.120E+16 -0.97 620. !165
- LOW / 1.770E+50 -9.670 6220.00/
- TROE/ 0.5325 151.00 1038.00 4970.00 /
- H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ N2/0.7/
- CH3 + CH3 = C2H5 + H 4.990E+12 .100 10600. !166
-!CH2 + H2 = CH3 + H 5.000E+05 2.00 7230. !
- CH2 + OH = CH2O + H 2.500E+13 0.00 0. !167
- CH2 + O2 = HCO + OH 4.300E+10 0.00 -500. !168
- CH2 + O2 = CO2 + H2 6.900E+11 0.00 500. !169
- CH2 + O2 = CO + H2O 2.000E+10 0.00 -1000. !170
- CH2 + O2 = CH2O + O 5.000E+13 0.00 9000. !171
- CH2 + O2 = CO2 + H + H 1.600E+12 0.00 1000. !172
- CH2 + O2 = CO + OH + H 8.600E+10 0.00 -500. !173
- CH2 + CH2 = C2H2 + H2 1.200E+13 0.0 800. !174
- CH2 + CH2 = C2H2 + H + H 1.200E+14 0.0 800. !175
- CH2 + CO2 = CH2O + CO 1.000E+11 0.00 1000. !176
- CH3 + HCO = CH2O + CH2 3.000E+13 0.00 0. !177
- CH3 + C2H4 = CH4 + C2H3 6.620E+00 3.70 9482. !178
- CH3 + CH3 = C2H4 + H2 1.000E+15 0.00 31000. !179
- CH3 + CH2 = C2H4 + H 3.000E+13 0.00 -570. !180
- C2H4 + H = C2H3 + H2 1.100E+14 0.00 8500. !181
- C2H4 + O = CH3 + HCO 1.600E+09 1.20 746. !182
- C2H4 + O = CH2O + CH2 3.000E+04 1.88 180. !183
- C2H4 + O = C2H3 + OH 1.510E+07 1.91 3790. !184
- C2H4 + OH = CH2O + CH3 6.000E+13 0.0 960. !185 ! 13
- C2H4 + HO2 = C2H3 + H2O2 7.100E+11 0.0 17110. !186
- C2H4 + OH = C2H3 + H2O 6.020E+13 0.00 5955. !187 ! 6.02 5955
- C2H4 + M = C2H2 + H2 + M 1.500E+15 0.00 55800. !188
- C2H4 + M = C2H3 + H + M 2.600E+17 0.0 96570. !189
- C2H4 + H = C2H5 2.600E+43 -9.25 52580. !190
- C2H6 + O2 = C2H5 + HO2 1.000E+13 0.00 48960. !191
- C2H5 + O2 = C2H4 + HO2 2.000E+10 0.0 -2200. !192
- C2H4 + O2 = C2H3 + HO2 4.200E+14 0.00 57590. !193 ! 14
- C2H4 + C2H4 = C2H5 + C2H3 5.000E+14 0.0 64700. !194 ! 14
- C2H5 + HO2 = C2H4 + H2O2 3.000E+11 0.00 0. !195
- C2H2 + O2 = HCO + HCO 4.000E+12 0.00 28000. !196 2.0
- C2H2 + O = CH2 + CO 1.020E+07 2.00 1900. !197
- C2H2 + H + M = C2H3 + M 5.540E+12 0.00 2410. !198
- C2H3 + H = C2H2 + H2 4.000E+13 0.00 0. !199
- C2H3 + O2 = CH2O + HCO 4.000E+12 0.00 -250. !200
- C2H3 + OH = C2H2 + H2O 3.000E+13 0.00 0. !201
- C2H3 + CH2 = C2H2 + CH3 3.000E+13 0.00 0. !202
- C2H3 + HCO = C2H4 + CO 6.034E+13 0.0 0. !203
- C2H3 + C2H3 = C2H2 + C2H4 1.450E+13 0.0 0. !204
- C2H3 + O = C2H2 + OH 1.000E+13 0.0 0. !205
- C2H2 + OH = CH3 + CO 4.830E-04 4.00 -2000. !206
- C2H2 + CH2 = C3H3 + H 1.200E+13 0.0 6620. !207
- C3H3 + OH = C3H2 + H2O 1.000E+13 0.0 0. !208
- C3H3 + O = CH2O + C2H 1.000E+13 0.0 0. !209
- C2H3 = C2H2 + H 4.600E+40 -8.80 46200. !210
-!
- C2H2 = C2H + H 2.373E+32 -5.28 130688. !211
- C2H + O2 = HCO + CO 5.000E+13 0.00 1500. !212
- C2H + H2 = H + C2H2 4.900E+05 2.50 560.0 !213
- C2H2 + O = C2H + OH 4.600E+19 -1.41 28950.0 !214
- C2H2 + OH = C2H + H2O 3.370E+07 2.00 14000.0 !215
- C2H2 + C2H = C4H2 + H 9.600E+13 0.00 0.0 !216
- C3H4 + O = C2H3 + HCO 3.200E+12 0.00 2.01E+3!217
- C3H4 + O = C2H4 + CO 3.200E+12 0.00 2.01E+3!218
- C3H4 + O = HCCO + CH3 6.300E+12 0.00 2.01E+3!219
-!
-! Reactions of C4H and C4H2
-!
- C4H + H2 = H + C4H2 4.900E+05 2.5 560.0 !220
- C4H2 + OH = C4H + H2O 3.370E+07 2.0 14000.0 !221
- C4H2 + O = C3H2 + CO 2.700E+13 0.0 1720.0 !222 Wellman
- C3H2 + O = C2H2 + CO 6.800E+13 0.0 0.0 !223
- C3H2 + OH = HCO + C2H2 6.800E+13 0.0 0.0 !224
- C2H2 + C2H = C4H3 4.500E+37 -7.68 7100.0 !225
- C3H2 + CH2 = C4H3 + H 5.000E+13 0.0 0.0 !226
- C4H2 + H = C4H3 1.100E+42 -8.72 15300.0 !227
- C4H3 + H = C2H2 + C2H2 6.300E+25 -3.34 10014.0 !228
- C4H3 + H = C4H2 + H2 1.500E+13 0.00 0.0 !229
- C4H3 + OH = C4H2 + H2O 2.500E+12 0.00 0.0 !230
-!
- C2H2 + HCCO = C3H3 + CO 1.000E+11 0.000 3000.0 !231 Miller-Bowman
- C3H2 + O2 = HCCO + CO + H 5.000E+13 0.000 0.0 !232 Miller-Melius
- HCCO+O = H+CO+CO 1.000E+14 0.000 0.0 !233
- HCCO+O2 = OH+2CO 3.200E+12 0.000 854.0 !234
- HCCO+CH2 = C2H3+CO 3.000E+13 0.000 0.0 !235
- HCCO+HCCO = C2H2+CO+CO 1.000E+13 0.000 0.0 !236
- C2H+OH = H+HCCO 2.000E+13 0.000 0.0 !237
- CH2+CO(+M) = CH2CO(+M) 8.100E+11 0.500 4510.0 !238
- LOW / 2.690E+33 -5.110 7095.00/
- TROE/ 0.5907 275.00 1226.00 5185.00 /
- H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ N2/0.7/
- C2H2+OH = CH2CO+H 2.180E-04 4.500 -1000.0 !239
- CH2CO+H = HCCO+H2 5.000E+13 0.000 8000.0 !240
- CH2CO+H = CH3+CO 1.130E+13 0.000 3428.0 !241
- CH2CO+O = HCCO+OH 5.000E+13 0.000 8000.0 !242
- CH2CO+O = CH2+CO2 1.750E+12 0.000 1350.0 !243
- CH2CO+OH = HCCO+H2O 7.500E+12 0.000 2000.0 !244
- C2H3+O = CH2CO+H 3.000E+13 0.000 0.0 !245
- C3H3 + O2 = CH2CO + HCO 3.000E+10 0.0 2878.0 !246 Gutman
- C4H3 + O2 = HCCO + CH2CO 7.860E+16 -1.80 0.0 !247 Gutman
-!C4H3 + C2H2 = A1- 1.900E+63 -15.25 30600.0 !
-!A1 + H = A1- + H2 2.500E+14 0.0 16000. ! Kiefer
-!A1 + OH = A1- + H2O 1.600E+08 1.42 1450. ! CEC
-!A1- + H (+M) = A1 (+M) 1.000E+14 0.00 0. ! RRKM
-! LOW/ 6.6E+75 -16.30 7000. /
-! TROE / 1.0 0.1 584.9 6113. /
-! H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
-! soot formation
-!C3H3 + C3H3 = A1 2.000E+10 0.0 0.0 !
-!A1 = 6C(S)+3H2 2.000E+10 0.0 0.0 !
-!C4H2 = 4C(S)+H2 2.000E+10 0.0 0.0 !
-!C(S)+C2H2=>3C(S)+H2 2.000E+10 0.0 0.0 !
-!C2H2 = 2C(S)+H2 2.000E+10 0.0 0.0 !
-!
- O+CH2OH<=>OH+CH2O 1.000E+13 .000 .00!248
- H+CH2O(+M)<=>CH2OH(+M) 5.400E+11 .454 3600.00!249
- LOW / 1.270E+32 -4.820 6530.00/
- TROE/ .7187 103.00 1291.00 4160.00 /
- H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ N2/0.7/
- H+CH2OH<=>H2+CH2O 2.000E+13 .000 .00!250
- H+CH2OH<=>OH+CH3 1.650E+11 .650 -284.00!251
- H+CH3O<=>H+CH2OH 4.150E+07 1.630 1924.00!252
- C2H3+O2<=>O+CH2CHO 3.030E+11 .290 11.00!253
- C2H3+O2<=>HO2+C2H2 1.337E+06 1.610 -384.00!254
- O+CH3CHO<=>OH+CH2CHO 2.920E+12 .000 1808.00!255
- O+CH3CHO=>OH+CH3+CO 2.920E+12 .000 1808.00!256
- O2+CH3CHO=>HO2+CH3+CO 3.010E+13 .000 39150.00!257
- H+CH3CHO<=>CH2CHO+H2 2.050E+09 1.160 2405.00!258
- H+CH3CHO=>CH3+H2+CO 2.050E+09 1.160 2405.00!259
- OH+CH3CHO=>CH3+H2O+CO 2.343E+10 0.730 -1113.00!260
- HO2+CH3CHO=>CH3+H2O2+CO 3.010E+12 .000 11923.00!261
- CH3+CH3CHO=>CH3+CH4+CO 2.720E+06 1.770 5920.00!262
- H+CH2CO(+M)<=>CH2CHO(+M) 4.865E+11 0.422 -1755.00!263
- LOW/ 1.012E+42 -7.63 3854.0/
- TROE/ 0.465 201.0 1773.0 5333.0 /
- H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ N2/ .70/
- O+CH2CHO=>H+CH2+CO2 1.500E+14 .000 .00!264
- O2+CH2CHO=>OH+CO+CH2O 1.810E+10 .000 .00!265
- O2+CH2CHO=>OH+2HCO 2.350E+10 .000 .00!266
- H+CH2CHO<=>CH3+HCO 2.200E+13 .000 .00!267
- H+CH2CHO<=>CH2CO+H2 1.100E+13 .000 .00!268
- OH+CH2CHO<=>H2O+CH2CO 1.200E+13 .000 .00!269
- OH+CH2CHO<=>HCO+CH2OH 3.010E+13 .000 .00!270
-!
- C3H8(+M)=C2H5+CH3(+M) 9.90E+22 -1.6 84429.0 !271 Tsang 1988
- LOW / 2.237E+27 -2.88 67448.0 / ! Al-Alami 1983
- TROE /1.0 1.0E-15 1500.0 1.0E+15/
- H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ N2/ .70/ C3H8/4.0/
- O+C3H8<=>OH+C3H7 1.930E+05 2.680 3716.00!272
- H+C3H8<=>C3H7+H2 1.020E+06 2.340 6756.00!273
- OH+C3H8<=>C3H7+H2O 3.160E+07 1.800 934.00!274
- C3H7+H2O2<=>HO2+C3H8 3.780E+02 2.720 1500.00!275
- CH3+C3H8<=>C3H7+CH4 0.903E+00 3.650 7154.00!276
- C3H8+C2H5=C3H7+C2H6 9.000E-01 3.650 9140.00!277
- C3H8+C2H3=C3H7+C2H4 6.000E+02 3.300 10502.00!278
- CH3+C2H4(+M)<=>C3H7(+M) 2.550E+06 1.600 5700.00!279
- LOW/ 3.00E+63 -14.6 18170./
- TROE/ .1894 277.0 8748.0 7891.0 /
- H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ N2/0.70/ C3H8/4.0/
- O+C3H7<=>C2H5+CH2O 9.640E+13 .000 .00!280
- H+C3H7(+M)<=>C3H8(+M) 3.613E+13 .000 .00!281
- LOW/ 4.420E+61 -13.545 11357.0/
- TROE/ .315 369.0 3285.0 6667.0 /
- H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ N2/0.70/
- H+C3H7<=>CH3+C2H5 4.060E+06 2.190 890.00!282
- CH2+C3H8=CH3+C3H7 1.500E+0 3.460 7470.00!283
- OH+C3H7<=>C2H5+CH2OH 2.410E+13 .000 .00!284
- HO2+C3H7<=>O2+C3H8 2.550E+10 0.255 -943.00!285
- HO2+C3H7=>OH+C2H5+CH2O 2.410E+13 .000 .00!286
- CH3+C3H7<=>2C2H5 1.927E+13 -0.320 .00!287
- C3H7+CH3 <=> CH4+C3H6 1.100E+13 0.000 0.0 !288 TS3
- C3H6+C2H5=C3H5+C2H6 2.230E+00 3.500 6640.0 !289
- C3H6+O = CH3+CH3CO 6.800E+04 2.560 -1.13E+3!290
-END
diff --git a/applications/test/readCHEMKINIII/CHEMKINdata/chem.inp_c7h16_soot b/applications/test/readCHEMKINIII/CHEMKINdata/chem.inp_c7h16_soot
deleted file mode 100644
index 1727709..0000000
--- a/applications/test/readCHEMKINIII/CHEMKINdata/chem.inp_c7h16_soot
+++ /dev/null
@@ -1,1525 +0,0 @@
-ELEMENTS
- H O C N AR
-END
-SPECIE
-C7H16 O2 N2 CO CO2
-H H2 O H2O OH
-HO2 H2O2 CH4 CH3 CH3O
-CH2 CH2O CH3O2 CH4O2 HCO
-C7H15-1 C7H15-2 C7H15O2 C7H14O2H C7H14O2HO2
-C7KET12 C6H12 C5H11CHO C5H11CO C5H11
-C4H9 C3H7 C3H6 C3H5 AC3H4 C3H3
-C2H2 C2H3 C2H4 C2H5 C2H6
-AR
-! soot model
-CH2OH CH3OH
-C C2O
-CH CH2* C2H CH2CO HCCO HCCOH
-C2H3O
-C3H2 PC3H4
-C4H C4H2 C4H4 n-C4H3 i-C4H3 H2C4O
-n-C4H5 i-C4H5 C4H6 C4H612
-C5H2 C5H3
-C6H C6H2 C6H3 l-C6H4 c-C6H4 n-C6H5 i-C6H5 l-C6H6
-n-C6H7 i-C6H7 c-C6H7 C6H8
-A1 A1-
-C6H5O C6H5OH C5H6 C5H5 C5H5O C5H4OH C5H4O
-n-A1C2H2 i-A1C2H2 A1C2H3 A1C2H3*
-A1C2H A1C2H* A1C2H- A1C2H)2
-A2 A2-1 A2-2 naphthyne
-A2C2HA A2C2HB A2C2HA* A2C2HB* A2C2H2 A2C2H)2
-A3 A3-1 A3-4
-A3C2H A3C2H2 A4 A4-
-P2 P2- P2-H
-C(S)
-!
-THERMO ! 1995 NASA COMPILATION + CURRAN DATA
-CH3O2 L 1/84C 1H 3O 2N 0G 300.000 5000.00 1
- 0.66812963E 01 0.80057271E-02-0.27188507E-05 0.40631365E-09-0.21927725E-13 2
- 0.52621851E 03-0.99423847E 01 0.20986490E 01 0.15786357E-01 0.75683261E-07 3
--0.11274587E-07 0.56665133E-11 0.20695879E 04 0.15007068E 02 4
-CH4O2 T11/96C 1H 4O 2 0G 200.000 6000.000 1
- 6.86907934E+00 1.00840883E-02-3.66515947E-06 5.96302681E-10-3.58894156E-14 2
--1.98402231E+04-1.24951986E+01 3.72654981E+00 7.51851847E-03 2.35970425E-05 3
--3.52694507E-08 1.42757614E-11-1.83982011E+04 6.52443362E+00-1.68074366E+04 4
-C2H5OH L 8/88C 2H 6O 1N 0G 200.000 6000.000 1
- 0.65624365E+01 0.15204222E-01-0.53896795E-05 0.86225011E-09-0.51289787E-13 2
--0.31525621E+05-0.94730202E+01 0.48586957E+01-0.37401726E-02 0.69555378E-04 3
--0.88654796E-07 0.35168835E-10-0.29996132E+05 0.48018545E+01-0.28257829E+05 4
-C2H3 T06/93C 2H 3 0 0G 200.000 6000.000 1
- 0.47025310E+01 0.72642283E-02-0.25801992E-05 0.41319944E-09-0.24591492E-13 2
- 0.34029675E+05-0.14293714E+01 0.30019602E+01 0.30304354E-02 0.24444315E-04 3
--0.35810242E-07 0.15108700E-10 0.34868173E+05 0.93304495E+01 0.36050230E+05 4
-C3H3 BUR 92C 3H 3O 0N 0G 200.000 6000.000 1
- 6.64175821E+00 8.08587428E-03-2.84787887E-06 4.53525977E-10-2.68879815E-14 2
- 3.89793699E+04-1.04004255E+01 1.82840766E+00 2.37839036E-02-2.19228176E-05 3
- 1.00067444E-08-1.38984644E-12 4.01863058E+04 1.38447957E+01 4.16139977E+04 4
-AC3H4 L12/92C 3H 4O 0N 0G 200.000 6000.000 1
- 6.31694869E+00 1.11336262E-02-3.96289018E-06 6.35633775E-10-3.78749885E-14 2
- 2.01174617E+04-1.09718862E+01 2.61307487E+00 1.21223371E-02 1.85405400E-05 3
--3.45258475E-08 1.53353389E-11 2.15415642E+04 1.02503319E+01 2.29622672E+04 4
-C3H5 BUR 92C 3H 5O 0N 0G 200.000 6000.000 1
- 6.54761132E+00 1.33152246E-02-4.78333100E-06 7.71949814E-10-4.61930808E-14 2
- 1.72714707E+04-9.27486841E+00 3.78794693E+00 9.48414335E-03 2.42343368E-05 3
--3.65604010E-08 1.48592356E-11 1.86261218E+04 7.82822499E+00 2.03259122E+04 4
-C3H6 120186C 3H 6 G 0300.00 5000.00 1000.00 1
- 0.06732257E+02 0.01490834E+00-0.04949899E-04 0.07212022E-08-0.03766204E-12 2
--0.09235703E+04-0.01331335E+03 0.01493307E+02 0.02092518E+00 0.04486794E-04 3
--0.01668912E-06 0.07158146E-10 0.01074826E+05 0.01614534E+03 4
-C4H2 L 2/93C 4H 2O 0N 0G 200.000 6000.000 1
- 8.66704895E+00 6.71505191E-03-2.35355060E-06 3.73635366E-10-2.21054043E-14 2
- 5.10016978E+04-2.18002050E+01-4.07132393E-01 5.20775143E-02-9.21138340E-05 3
- 8.08657403E-08-2.70422080E-11 5.25957367E+04 2.03240223E+01 5.41222513E+04 4
-C4H3 L 9/89C 4H 3O 0N 0G 298.150 6000.000 1
- 0.84762079E+01 0.88782327E-02-0.30328412E-05 0.47358302E-09-0.27716627E-13 2
- 0.54756540E+05-0.17170551E+02 0.24173247E+01 0.24104782E-01-0.12813470E-04 3
--0.28606237E-08 0.39194527E-11 0.56506476E+05 0.14471107E+02 0.58181574E+05 4
-C4H4 L 9/89C 4H 4O 0N 0G 200.000 6000.000 1
- 0.82948104E+01 0.11994381E-01-0.42624075E-05 0.68306978E-09-0.40680631E-13 2
- 0.33550866E+05-0.18426826E+02 0.14049083E+01 0.29531073E-01-0.15596302E-04 3
--0.32142002E-08 0.45436937E-11 0.35507830E+05 0.17450183E+02 0.37097268E+05 4
-CH3OCH3 L12/92C 2H 6O 1N 0G 200.000 6000.000 1
- 5.64844183E+00 1.63381899E-02-5.86802367E-06 9.46836869E-10-5.66504738E-14 2
--2.51074690E+04-5.96264939E+00 5.30562279E+00-2.14254272E-03 5.30873244E-05 3
--6.23147136E-08 2.30731036E-11-2.39866295E+04 7.13264209E-01-2.21432171E+04 4
-CH3OCH2 T11/82C 2H 5O 1N 0G 300.000 5000.0 1
- 0.65567484E+01 0.12180723E-01-0.40628420E-05 0.59495830E-09-0.31276214E-13 2
--0.40282515E+04-0.81302772E+01 0.35953999E+01 0.13379216E-01 0.53914910E-05 3
--0.10947097E-07 0.38193320E-11-0.27021975E+04 0.92850365E+01 4
-CH3OCH2OOH Jan96 C 2H 6O 3N 0G 300.00 3000.00 1000. 1
- 7.66981055E+00 2.35536769E-02-1.15031834E-05 2.84464629E-09-2.79520304E-13 2
--3.96295537E+04-1.39224857E+01 3.05518950E-02 4.90560834E-02-4.43030986E-05 3
- 2.21548123E-08-4.66587486E-12-3.80282020E+04 2.43189660E+01 4
-CH3OCH2OO Jan96 C 2H 5O 3N 0G 300.00 3000.00 1000. 1
- 8.06217488E+00 2.05153644E-02-1.00803231E-05 2.50244952E-09-2.46544863E-13 2
--2.19951127E+04-1.59505736E+01 4.74967287E-01 4.68199208E-02-4.55041928E-05 3
- 2.44627078E-08-5.51108848E-12-2.04517448E+04 2.17234867E+01 4
-CH3OCH2O Jan96 C 2H 5O 2N 0G 300.00 3000.00 1000. 1
- 5.98450336E+00 1.93302785E-02-9.44575204E-06 2.33651645E-09-2.29626013E-13 2
--2.12266609E+04-7.95685946E+00-1.22386711E-01 3.94270827E-02-3.47990406E-05 3
- 1.69073231E-08-3.44801024E-12-1.99352987E+04 2.26909497E+01 4
-CH3OCHO Jan96 C 2H 4O 2N 0G 300.00 3000.00 1000. 1
- 5.46071782E+00 1.70659166E-02-8.38236448E-06 2.08015776E-09-2.04870146E-13 2
--4.58756417E+04-3.33482124E+00-4.40150386E-01 3.69251939E-02-3.41468832E-05 3
- 1.73800460E-08-3.70831952E-12-4.46516329E+04 2.61277510E+01 4
-HCOOCH3 C 2H 4O 2N 0G 300.000 5000.000 1
- 0.83982000E 01 0.11267000E-01-0.41325000E-05 0.72745000E-09-0.48932000E-13 2
--0.48328000E 05-0.18820000E 02-0.15323000E 01 0.43051000E-01-0.45098000E-04 3
- 0.26064000E-07-0.63345000E-11-0.45711000E 05 0.31603000E 02 4
-HCOOH L 8/88H 2.C 1.O 2. 0.G 200.000 6000.000 1
- 5.69579404E+00 7.72237361E-03-3.18037808E-06 5.57949466E-10-3.52618226E-14 2
--4.81599723E+04-6.01680080E+00 3.23262453E+00 2.81129582E-03 2.44034975E-05 3
--3.17501066E-08 1.20631660E-11-4.67785606E+04 9.86205647E+00-4.55312460E+04 4
-COOCH3 C 2H 3O 2 0G 300.000 5000.000 1
- 0.76505900E 01 0.99082000E-02-0.37559700E-05 0.67845900E-09-0.46572100E-13 2
--0.24947700E 05-0.12937300E 02-0.89045900E 00 0.38842600E-01-0.42829300E-04 3
- 0.25682800E-07-0.63729700E-11-0.22835200E 05 0.29911300E 02 4
-C7H16 P10/95C 7H 16 0 0G 300.000 5000.000 1
- 2.22148969e+01 3.47675750e-02-1.18407129e-05 1.83298478e-09-1.06130266e-13 2
--3.42760081e+04-9.23040196e+01-1.26836187e+00 8.54355820e-02-5.25346786e-05 3
- 1.62945721e-08-2.02394925e-12-2.56586565e+04 3.53732912e+01 4
-C7H15-1 2/10/95 C 7H 15 0 0G 300.000 5000.000 1
- 2.17940709e+01 3.26280243e-02-1.11138244e-05 1.72067148e-09-9.96366999e-14 2
--9.20938221e+03-8.64954311e+01-4.99570406e-01 8.08826467e-02-5.00532754e-05 3
- 1.56549308e-08-1.96616227e-12-1.04590223e+03 3.46564011e+01 4
-C7H15-2 2/10/95 C 7H 15 0 0G 300.000 5000.000 1
- 2.16368842e+01 3.23324804e-02-1.09273807e-05 1.68357060e-09-9.71774091e-14 2
--1.05873616e+04-8.52209653e+01-3.79155767e-02 7.56726570e-02-4.07473634e-05 3
- 9.32678943e-09-4.92360745e-13-2.35605303e+03 3.37321506e+01 4
-C7H15-3 2/10/95 C 7H 15 0 0G 300.000 5000.000 1
- 2.16368842e+01 3.23324804e-02-1.09273807e-05 1.68357060e-09-9.71774091e-14 2
--1.05873616e+04-8.52209653e+01-3.79155767e-02 7.56726570e-02-4.07473634e-05 3
- 9.32678943e-09-4.92360745e-13-2.35605303e+03 3.37321506e+01 4
-C7H15O2 7/23/98 C 7.H 15.O 2. 0.G 300.000 5000.000 1
- 2.49023689e+01 3.50716920e-02-1.20440306e-05 1.87464822e-09-1.08947791e-13 2
--2.82976050e+04-9.73923542e+01 2.37499334e+00 8.34651906e-02-5.13897320e-05 3
- 1.64217662e-08-2.19505216e-12-1.99237961e+04 2.53067342e+01 4
-C7H14O2H 7/23/98 C 7.H 15.O 2. 0.G 300.000 5000.000 1
- 2.70028807e+01 3.22272216e-02-1.09366516e-05 1.68977918e-09-9.77321946e-14 2
--2.27229231e+04-1.06332170e+02 2.49875186e+00 8.32443344e-02-4.85933986e-05 3
- 1.28927950e-08-1.09878385e-12-1.36530733e+04 2.73754005e+01 4
-C7H14O2HO2 7/23/98 C 7.H 15.O 4. 0.G 300.000 5000.000 1
- 3.23937788e+01 3.33911097e-02-1.15672104e-05 1.81146023e-09-1.05739941e-13 2
--4.36321048e+04-1.32597311e+02 3.84933185e+00 9.45955097e-02-5.94934121e-05 3
- 1.78836457e-08-2.00618696e-12-3.32051631e+04 2.25912030e+01 4
-C7KET12 7/23/98 C 7.H 14.O 3. 0.G 300.000 5000.000 1
- 2.97472906e+01 3.06622294e-02-1.05563590e-05 1.64627343e-09-9.58171675e-14 2
--5.66856828e+04-1.22432490e+02 5.82433697e-01 1.01207869e-01-7.65855996e-05 3
- 3.00738606e-08-4.82902792e-12-4.68054419e+04 3.33331449e+01 4
-C6H12 2/14/95 C 6.H 12.O 0. 0.G 300.000 5000.000 1
- 1.78337529e+01 2.67377658e-02-9.10036773e-06 1.40819768e-09-8.15124244e-14 2
--1.42062860e+04-6.83818851e+01-1.35275205e+00 6.98655426e-02-4.59408022e-05 3
- 1.56967343e-08-2.21296175e-12-7.34368617e+03 3.53120691e+01 4
-C5H11CHO 2/29/96 C 6H 12O 1 0G 300.000 5000.000 1
- 1.98891043e+01 2.71869340e-02-9.27391515e-06 1.43744158e-09-8.33090761e-14 2
--3.97523444e+04-7.60741671e+01 1.37517192e+00 6.65669689e-02-4.04423050e-05 3
- 1.23836270e-08-1.52905857e-12-3.28740986e+04 2.48343934e+01 4
-C5H11CO 2/29/96 C 6.H 11.O 1. 0.G 300.000 5000.000 1
- 1.94783812e+01 2.50466029e-02-8.54861346e-06 1.32557944e-09-7.68503296e-14 2
--2.07923937e+04-7.21995578e+01 2.14479069e+00 6.17863563e-02-3.74134690e-05 3
- 1.13283795e-08-1.36917698e-12-1.43451172e+04 2.23128045e+01 4
-C5H11 T03/97C 5.H 11. 0. 0.G 298.150 5000.000 1
- 1.13324106E+01 3.03659897E-02-1.13934480E-05 1.99539733E-09-1.32825012E-13 2
--5.95299959E+03-3.13564905E+01 3.57867617E+00 3.04236365E-02 3.27768270E-05 3
--5.86453147E-08 2.39315107E-11-2.60420265E+03 1.42591121E+01 6.68760000E+03 4
-C4H9 P10/84C 4.H 9. 0. 0.G 200.000 6000.000 1
- 9.43040607E+00 2.34271349E-02-8.53599182E-06 1.39748355E-09-8.44057456E-14 2
- 2.14214862E+03-2.42207994E+01 3.54885235E+00 1.78747638E-02 5.00782825E-05 3
--7.94475071E-08 3.35802354E-11 4.74011588E+03 1.11849382E+01 6.89397210E+03 4
-C3H7 N-L 9/84C 3H 7 0 0G 300.000 5000.000 1
- 0.77026987E 01 0.16044203E-01-0.52833220E-05 0.76298590E-09-0.39392284E-13 2
- 0.82984336E 04-0.15480180E 02 0.10515518E 01 0.25991980E-01 0.23800540E-05 3
--0.19609569E-07 0.93732470E-11 0.10631863E 05 0.21122559E 02 0.12087447E 05 4
-C2H2 L 1/91C 2.H 2. 0. 0.G 200.000 6000.000 1
- 4.65878504E+00 4.88396547E-03-1.60828775E-06 2.46974226E-10-1.38605680E-14 2
- 2.57594044E+04-3.99834772E+00 8.08681094E-01 2.33615629E-02-3.55171815E-05 3
- 2.80152437E-08-8.50072974E-12 2.64289807E+04 1.39397051E+01 2.74459950E+04 4
-C2H4O L 8/88C 2H 4O 1 0G 200.000 6000.000 1
- 0.54887641E+01 0.12046190E-01-0.43336931E-05 0.70028311E-09-0.41949088E-13 2
--0.91804251E+04-0.70799605E+01 0.37590532E+01-0.94412180E-02 0.80309721E-04 3
--0.10080788E-06 0.40039921E-10-0.75608143E+04 0.78497475E+01-0.63304657E+04 4
-END
-REACTIONS
- C7H16 + O2 = C7H15-1 + HO2 2.500E+13 0.0 48810.0!CGS 1
- C7H16 + O2 = C7H15-2 + HO2 3.200E+14 0.0 47380.0!CGS 2
- C7H16 + H = C7H15-1 + H2 5.600E+07 2.0 7667.0!CGS 3
- C7H16 + H = C7H15-2 + H2 4.380E+07 2.0 4750.0!CGS 4
- C7H16 + OH = C7H15-1 + H2O 8.600E+09 1.10 1815.0!CGS 5
- C7H16 + OH = C7H15-2 + H2O 6.800E+09 1.30 690.5!CGS 6
- C7H16 + HO2 = C7H15-1 + H2O2 8.000E+12 0.0 19300.0!CGS 7
- C7H16 + HO2 = C7H15-2 + H2O2 1.200E+13 0.0 16950.0!CGS 8
- C7H16 = C4H9 + C3H7 3.000E+16 0.0 80710.0!CGS 9
-!
- C7H15-1 + O2 = C7H15O2 2.000E+12 0.0 0.0! 10
- C7H15-2 + O2 = C7H15O2 2.000E+12 0.0 0.0! 11
- C7H15O2 = C7H14O2H 6.000E+11 0.0 20380.0! 12
- C7H14O2H + O2 = C7H14O2HO2 4.000E+11 0.0 0.0! 13
- C7H14O2HO2 = C7KET12 + OH 1.000E+09 0.0 7480.0! 14
- C7KET12 = C5H11CHO + CH2O + O 1.050E+16 0.0 4.110E+4! 15
- C5H11CHO + O2 = C5H11CO + HO2 2.000E+13 0.5 4.220E+4! 16
- C5H11CHO + OH = C5H11CO + H2O 1.000E+13 0.0 0.000E+0! 17
- C5H11CHO + H = C5H11CO + H2 4.000E+13 0.0 4.200E+3! 18
- C5H11CHO + O = C5H11CO + OH 5.000E+12 0.0 1.790E+3! 19
- C5H11CHO + HO2 = C5H11CO + H2O2 2.800E+12 0.0 1.360E+4! 20
- C5H11CHO + CH3 = C5H11CO + CH4 1.700E+12 0.0 8.440E+3! 21
- C5H11CHO + CH3O2 = C5H11CO + CH4O2 1.000E+12 0.0 9.500E+3! 22
- C5H11CO = C5H11 + CO 1.000E+11 0.0 9.600E+3! 23
- C5H11 = C2H4 + C3H7 3.200E+13 0.0 28300.0! 24
- C7H15-1 = C2H4 + C5H11 2.500E+13 0.0 28810.0! 25
- C7H15-2 = CH3 + C6H12 3.000E+13 0.0 29800.0! 26
- C6H12 = C3H7 + C3H5 1.000E+16 0.0 68000.0! 27
- C7H15-2 = C4H9 + C3H6 1.000E+13 0.0 28600.0! 28
- C7H15-1 = C7H15-2 2.000E+11 0.0 18050.0! 29
- C4H9 = C3H6 + CH3 2.232E+17 -1.40 30830.0! 30
- C4H9 = C2H5 + C2H4 2.500E+13 0.0 28810.0! 31
- C3H7 = C2H4 + CH3 9.600E+13 0.0 30950.0! 32
- C3H7 = C3H6 + H 1.250E+14 0.0 36900.0! 33
- C3H7 + O2 = C3H6 + HO2 1.000E+12 0.0 4980.0! 34
- C3H6 = C2H3 + CH3 3.150E+15 0.0 85500.0! 35
- C3H6 + H = C3H5 + H2 5.000E+12 0.0 1500.0! 36
- C3H6 + CH3 = C3H5 + CH4 9.000E+12 0.0 8480.0! 37
- C3H6 + O2 = C3H5 + HO2 4.000E+12 0.0 39900.0! 38
- C3H5 = AC3H4 + H 4.000E+13 0.0 69760.0! 39
- C3H5 + H = AC3H4 + H2 1.000E+13 0.0 0.0! 40
- C3H5 + O2 = AC3H4 + HO2 6.000E+11 0.0 10000.0! 47
- AC3H4 + OH = C2H3 + CH2O 1.000E+12 0.0 0.0! 41
- AC3H4 + OH = C2H4 + HCO 1.000E+12 0.0 0.0! 42
- AC3H4 + O2 = C3H3 + HO2 4.000E+13 0.0 39160.0! 43
-!
- CH3O + CO = CH3 + CO2 1.570E+14 0.00 11800. !CGS 44
- CH3O + H = CH2O + H2 2.000E+13 0.00 0. !CGS 45
- CH3O + H = CH3 + OH 1.000E+14 0.00 0. !CGS 46
- CH3O + OH = CH2O + H2O 1.000E+13 0.00 0. !CGS 46
- CH3O + O = CH2O + OH 1.000E+13 0.00 0. !CGS 47
- CH3O + O2 = CH2O + HO2 1.200E+11 0.00 2600. !CGS 48
- CH3O = CH2O + H 7.050E+00 3.00 20260. !CGS 49
- CH3 + HO2 = CH3O + OH 3.300E+13 0.00 0. !CGS 50
- CH3 + O2 = CH3O + O 3.670E+13 0.00 30000. !CGS 51
- CH3 + O2 = CH2O + OH 6.800E+10 0.00 9000. !CGS 52 4.8 9000
- CH3 + O2 = CH3O2 3.020E+59 -15.0 17204. !CGS 53 3.02
- CH3O2 + HO2 = CH4O2 + O2 4.630E+11 0.0 -2583. !CGS 54
- CH3O2 + CH4 = CH4O2 + CH3 1.810E+11 0.0 18480. !CGS 55
- CH3O2 + CH3 = CH3O + CH3O 2.410E+13 0.0 0. !CGS 56 2.410E+13
- CH3O2 + O = CH3O + O2 3.610E+13 0.0 0. !CGS 57
- CH3O2 + H = CH3O + OH 9.640E+13 0.0 0. !CGS 58
- CH3O2 + CH2O = CH4O2 + HCO 1.000E+12 0.0 11665. !CGS 59
- CH3O2 + C2H6 = CH4O2 + C2H5 2.950E+11 0.0 14944. !CGS 60
- CH3O2 + CH3O2 = CH3O + CH3O + O2 2.800E+11 0.0 -780. !CGS 61 11
- CH3O2 + H2O2 = CH4O2 + HO2 2.400E+12 0.0 10000. !CGS 62
- CH4O2 = CH3O + OH 3.000E+16 0.0 42920. !CGS 63 6.000E+16
- CH3O2 + C2H4 = C2H3 + CH4O2 7.100E+11 0.0 17110. !CGS 64
- CH4O2 + OH = CH3O2 + H2O 1.000E+13 0.0 -258. !CGS 65 ! 8.2
- CH4O2 + O = CH3O2 + OH 2.000E+13 0.0 4750. ! 66
- CH3 + O = CH2O + H 8.000E+13 0.00 0. !CGS 67
- CH3 + OH = CH2 + H2O 7.500E+06 2.00 5000. !CGS 68
- CH3 + OH = CH2O + H2 4.000E+12 0.00 0. !CGS 69
- CO + O + M = CO2 + M 6.170E+14 0.00 3000. !CGS 70
- CO + OH = CO2 + H 3.510E+07 1.30 -758. !CGS 71
- CO + O2 = CO2 + O 1.600E+13 0.00 41000. !CGS 72
- CO + HO2 = CO2 + OH 5.800E+13 0.00 22930. !CGS 73
-!
- H2 + O2 = OH + OH 1.700E+13 0.00 47780. !CGS 76
- H2 + OH = H2O + H 1.170E+09 1.30 3626. !CGS 77
- O + OH = O2 + H 4.000E+14 -0.50 0. !CGS 78
- O + H2 = OH + H 5.060E+04 2.67 6290. !CGS 79
- H + HO2 = O + H2O 3.100E+10 0.00 3590. !CGS 80
- O + OH + M = HO2 + M 1.000E+16 0.00 0. !CGS 81
- H2O/6.0/ CO2/5.0/ H2/3.3/ CO/2.0/
- H + O2 + M = HO2 + M 2.800E+18 -.86 0.0! 82
- O2/ .00/ H2O/ .00/ CO/ .75/ CO2/1.50/ C2H6/1.50/ N2/ .00/
- H + O2 + O2 = HO2 + O2 2.080E+19 -1.24 0.0! 83
- H + O2 + H2O = HO2 + H2O 11.26E+18 -.76 0.0! 84
- H + O2 + N2 = HO2 + N2 2.600E+19 -1.24 0.0! 85
- OH + HO2 = H2O + O2 7.500E+12 0.00 0. !CGS 86
- H + HO2 = OH + OH 1.700E+14 0.0 875. !CGS 87
- O + HO2 = O2 + OH 1.400E+13 0.00 1073. !CGS 88
- OH + OH = O + H2O 6.000E+08 1.30 0. !CGS 89
- H + H + M = H2 + M 1.000E+18 -1.00 0. !CGS 90
- H2/0./ H2O/0./ CO2/0./
- H + H + H2 = H2 + H2 9.200E+16 -0.60 0. !CGS 91
- H + H + H2O = H2 + H2O 6.000E+19 -1.25 0. !CGS 92
- H + H + CO2 = H2 + CO2 5.490E+20 -2.00 0. !CGS 93
- H + OH + M = H2O + M 1.600E+22 -2.00 0. !CGS 94
- H + O + M = OH + M 6.200E+16 -0.60 0. !CGS 95
- O + O + M = O2 + M 1.890E+13 0.00 -1788. !CGS 96
- H + HO2 = H2 + O2 1.250E+13 0.00 0. !CGS 97
- HO2 + HO2 = H2O2 + O2 2.000E+12 0.00 0. !CGS 98
- OH + OH (+M) = H2O2 (+M) 7.400E+13 -.370 0. !CGS 99
- LOW / 5.300E+18 -.900 -1700.00/
- TROE/ .7346 94.00 1756.00 5182.00 /
- H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/
- H2O2 + H = HO2 + H2 1.600E+12 0.00 3800. !CGS 95
- H2O2 + OH = H2O + HO2 1.000E+13 0.00 1800. !CGS 96
- H2O2 + H = H2O + OH 1.000E+13 0.00 3590. !CGS 97
- H2O2 + O = H2O + O2 8.400E+11 0.00 4260. !CGS 98
- H2O2 + O = OH + HO2 2.000E+13 0.00 5900. !CGS 99
- H2 + HO2 = H2O + OH 6.500E+11 0.00 18800. !CGS 100
-!
-!CO2 + N = NO + CO 1.900E+11 0.00 3400. !CGS
-!N2O + O = N2 + O2 1.400E+12 0.00 10810. !CGS
-!N2O + O = NO + NO 2.900E+13 0.00 23150. !CGS
-!N2O + H = N2 + OH 4.400E+14 0.00 18880. !CGS
-!N2O + OH = N2 + HO2 2.000E+12 0.00 21060. !CGS
-!N2O + M = N2 + O + M 1.300E+11 0.00 59620. !CGS
-!N + NO = N2 + O 3.270E+12 0.30 0. !CGS
-!N + O2 = NO + O 6.400E+09 1.00 6280. !CGS
-!N + OH = NO + H 7.333E+13 0.00 1120. !CGS
-!
- CH2O + O2 = HCO + HO2 6.200E+13 0.00 39000. !CGS
- CH2O + O = HCO + OH 1.800E+13 0.00 3080. !CGS
- CH2O + H = HCO + H2 2.190E+08 1.80 3000. !CGS
- CH2O + OH = HCO + H2O 2.430E+10 1.20 -447. !CGS 09
- CH2O + HO2 = HCO + H2O2 3.000E+12 0.00 8000. !CGS 12
- CH2O + M = CO + H2 + M 6.250E+15 0.00 69540. !CGS
- CH2O + M = HCO + H + M 4.000E+23 -1.66 91120. !CGS
-!H2 + CO = CH2O 4.300E+07 1.50 79600. !CGS
- HCO + HCO = CH2O + CO 3.010E+13 0.00 0. !CGS
- HCO + OH = H2O + CO 1.000E+14 0.00 0. !CGS
- HCO + H = H2 + CO 1.190E+13 0.30 0. !CGS
- HCO + O = OH + CO 3.000E+13 0.00 0. !CGS
- HCO + O = H + CO2 3.000E+13 0.00 0. !CGS
- HCO + O2 = HO2 + CO 3.300E+13 -0.40 0. !CGS
- HCO + M = H + CO + M 1.870E+17 -1.00 17000. !CGS
-!HCO + H + M = CH2O + M 1.000E+12 0.48 -260. !CGS
- HCO + HO2 = CO2 + OH + H 3.000E+13 0.00 0. !CGS
- CH4 + O2 = CH3 + HO2 7.900E+13 0.00 56000. !CGS
-!CH3 + HO2 = CH4 + O2 1.000E+12 0.00 0. !CGS
- CH4 + H = CH3 + H2 6.600E+08 1.60 10840. !CGS
- CH4 + OH = CH3 + H2O 1.600E+06 2.10 2460. !CGS
- CH4 + O = CH3 + OH 1.020E+09 1.50 8604. !CGS 99
- CH4 + HO2 = CH3 + H2O2 1.000E+13 0.00 18700. !CGS 100
- CH4 + CH2 = CH3 + CH3 4.000E+12 0.00 -570. !CGS 101
- CH3 + CH2O = CH4 + HCO 5.500E+03 2.80 6000. !CGS 102
- CH3 + HCO = CH4 + CO 1.200E+14 0.00 0. !CGS 103
-!CH3 + H = CH4 1.900E+36 -7.00 9050. !CGS 104
- CH3 + H = CH2 + H2 9.000E+13 0.00 15100. !CGS 105
- CH3 + CH3O = CH4 + CH2O 5.300E+14 0.00 0. !CGS 106 3.3
-!CH3 + CH3 = C2H6 2.120E+16 -0.97 620. !
- CH3+H(+M) = CH4(+M) 1.270E+16 -0.630 383.0
- LOW / 2.477E+33 -4.760 2440.00/
- TROE/ 0.7830 74.00 2941.00 6964.00 /
- H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
- CH3+CH3(+M) = C2H6(+M) 2.120E+16 -0.970 620.0
- LOW / 1.770E+50 -9.670 6220.00/
- TROE/ 0.5325 151.00 1038.00 4970.00 /
- H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
- CH3 + CH3 = C2H5 + H 4.990E+12 .100 10600. !CGS
-!CH2 + H2 = CH3 + H 5.000E+05 2.00 7230. !CGS
- CH2 + OH = CH2O + H 2.500E+13 0.00 0. !CGS 107
- CH2 + O2 = HCO + OH 4.300E+10 0.00 -500. !CGS 108
- CH2 + O2 = CO2 + H2 6.900E+11 0.00 500. !CGS 109
- CH2 + O2 = CO + H2O 2.000E+10 0.00 -1000. !CGS 110
- CH2 + O2 = CH2O + O 5.000E+13 0.00 9000. !CGS 111
- CH2 + O2 = CO2 + H + H 1.600E+12 0.00 1000. !CGS
- CH2 + O2 = CO + OH + H 8.600E+10 0.00 -500. !
- CH2 + CH2 = C2H2 + H2 1.200E+13 0.0 800. !
- CH2 + CH2 = C2H2 + H + H 1.200E+14 0.0 800. !
- CH2 + CO2 = CH2O + CO 1.000E+11 0.00 1000. !CGS 112
- CH3 + HCO = CH2O + CH2 3.000E+13 0.00 0. !CGS 113
- CH3 + C2H4 = CH4 + C2H3 6.620E+00 3.70 9482. !CGS 114
- CH3 + CH3 = C2H4 + H2 1.000E+15 0.00 31000. !CGS 115
- CH3 + CH2 = C2H4 + H 3.000E+13 0.00 -570. !CGS 116
- C2H4 + H = C2H3 + H2 1.100E+14 0.00 8500. !CGS 117
- C2H4 + O = CH3 + HCO 1.600E+09 1.20 746. !CGS 118
- C2H4 + O = CH2O + CH2 3.000E+04 1.88 180. !CGS 119
- C2H4 + O = C2H3 + OH 1.510E+07 1.91 3790. !CGS 120
- C2H4 + OH = CH2O + CH3 6.000E+13 0.0 960. !CGS 121 ! 13
- C2H4 + HO2 = C2H3 + H2O2 7.100E+11 0.0 17110. !CGS 122
- C2H4 + OH = C2H3 + H2O 8.020E+13 0.00 5955. !CGS 123 ! 6.02 5955
- C2H4 + M = C2H2 + H2 + M 1.500E+15 0.00 55800. !CGS 124
- C2H4 + M = C2H3 + H + M 2.600E+17 0.0 96570. !CGS 125
- C2H4 + H = C2H5 2.600E+43 -9.25 52580. !CGS 126
- C2H6 + O2 = C2H5 + HO2 1.000E+13 0.00 48960. !CGS 127
- C2H5 + O2 = C2H4 + HO2 2.000E+10 0.0 -2200. !CGS 128
- C2H4 + O2 = C2H3 + HO2 4.200E+14 0.00 57590. !CGS 128 ! 14
- C2H4 + C2H4 = C2H5 + C2H3 5.000E+14 0.0 64700. !CGS 129 ! 14
- C2H5 + HO2 = C2H4 + H2O2 3.000E+11 0.00 0. !CGS 130
- C2H2 + O2 = HCO + HCO 4.000E+12 0.00 28000. !CGS 2.0
- C2H2 + O = CH2 + CO 1.020E+07 2.00 1900. !CGS 131
- C2H2 + H + M = C2H3 + M 5.540E+12 0.00 2410. !CGS 132
- C2H3 + H = C2H2 + H2 4.000E+13 0.00 0. !CGS 133
- C2H3 + O2 = CH2O + HCO 4.000E+12 0.00 -250. !CGS 134
- C2H3 + OH = C2H2 + H2O 3.000E+13 0.00 0. !CGS 135
- C2H3 + CH2 = C2H2 + CH3 3.000E+13 0.00 0. !CGS 136
- C2H3 + HCO = C2H4 + CO 6.034E+13 0.0 0. !CGS 137
- C2H3 + C2H3 = C2H2 + C2H4 1.450E+13 0.0 0. !
- C2H3 + O = C2H2 + OH 1.000E+13 0.0 0. !
- C2H2 + OH = CH3 + CO 4.830E-04 4.00 -2000. !CGS 138
-!C2H2 + CH2 = C3H3 + H 1.200E+13 0.0 6620. !Bohland 86
- C3H3 + OH = C2H3 + HCO 4.000E+13 0.0 0. !Estimated
- C2H3 = C2H2 + H 4.600E+40 -8.80 46200. !
-!
-! soot model
-!
-! Reactions of CH3
-!
- CH3+OH(+M) = CH3OH(+M) 6.300E+13 0.000 0.0
- LOW / 2.700E+38 -6.300 3100.00/
- TROE/ 0.2105 83.50 5398.00 8370.00 /
- H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
-!CH3+O = CH2O+H 8.430E+13 0.000 0.0
-!CH3+OH = CH2+H2O 5.600E+07 1.600 5420.0
- CH3+OH = CH2*+H2O 2.501E+13 0.000 0.0
-!CH3+O2 = O+CH3O 2.675E+13 0.000 28800.0
-!CH3+O2 = OH+CH2O 3.600E+10 0.000 8940.0
-!CH3+HO2 = CH4+O2 1.000E+12 0.000 0.0
-!CH3+HO2 = CH3O+OH 2.000E+13 0.000 0.0
-!CH3+H2O2 = CH4+HO2 2.450E+04 2.470 5180.0
- CH3+C = C2H2+H 5.000E+13 0.000 0.0
- CH3+CH = C2H3+H 3.000E+13 0.000 0.0
-!CH3+HCO = CH4+CO 2.648E+13 0.000 0.0
-!CH3+CH2O = CH4+HCO 3.320E+03 2.810 5860.0
-!CH3+CH2 = C2H4+H 4.000E+13 0.000 0.0
- CH3+CH2* = C2H4+H 1.200E+13 0.000 -570.0
-!CH3+CH3 = H+C2H5 4.990E+12 0.100 10600.0
-!
-! Reactions of CH2O
-!
- CH2O+H(+M) = CH2OH(+M) 5.400E+11 0.454 3600.0
- LOW / 1.270E+32 -4.820 6530.00/
- TROE/ 0.7187 103.00 1291.00 4160.00 /
- H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
-!CH2O+H(+M) = CH3O(+M) 5.400E+11 0.454 2600.0
-! LOW / 1.200E+30 -4.800 6560.00/
-! TROE/ 0.7580 94.00 1555.00 4200.00 /
-! H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
-!CH2O+H = HCO+H2 2.300E+10 1.050 3275.0
-!CH2O+O = HCO+OH 3.900E+13 0.000 3540.0
-!CH2O+OH = HCO+H2O 3.430E+09 1.180 -447.0
-!CH2O+O2 = HCO+HO2 1.000E+14 0.000 40000.0
-!CH2O+HO2 = HCO+H2O2 1.000E+12 0.000 8000.0
- CH2O+CH = CH2CO+H 9.460E+13 0.000 -515.0
-!
-! Reactions of C2H4
-!
- C2H4(+M) = H2+C2H2(+M) 8.000E+12 0.440 88770.0
- LOW / 7.000E+50 -9.310 99860.00/
- TROE/ 0.7345 180.00 1035.00 5417.00 /
- H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
- C2H4+H(+M) = C2H5(+M) 1.080E+12 0.454 1820.0
- LOW / 1.200E+42 -7.620 6970.00/
- TROE/ 0.9753 210.00 984.00 4374.00 /
- H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
-!C2H4+H = C2H3+H2 1.325E+06 2.530 12240.0
-!C2H4+O = CH3+HCO 1.920E+07 1.830 220.0
-!C2H4+OH = C2H3+H2O 3.600E+06 2.000 2500.0
-!C2H4+CH3 = C2H3+CH4 2.270E+05 2.000 9200.0
-!
-! Reactions of C2H2
-!
- C2H2+H(+M) = C2H3(+M) 5.600E+12 0.000 2400.0
- LOW / 3.800E+40 -7.270 7220.00/
- TROE/ 0.7507 98.50 1302.00 4167.00 /
- H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
- C2H2+O = HCCO+H 1.020E+07 2.000 1900.0
- C2H2+O = C2H+OH 4.600E+19 -1.410 28950.0
-!C2H2+O = CH2+CO 1.020E+07 2.000 1900.0
- C2H2+OH = CH2CO+H 2.180E-04 4.500 -1000.0
- C2H2+OH = HCCOH+H 5.040E+05 2.300 13500.0
- C2H2+OH = C2H+H2O 3.370E+07 2.000 14000.0
-!C2H2+OH = CH3+CO 4.830E-04 4.000 -2000.0
-!
-! Reactions of CH2(singlet)
-!
- CH2*+N2 = CH2+N2 1.500E+13 0.000 600.0
- CH2*+AR = CH2+AR 9.000E+12 0.000 600.0
- CH2*+H = CH+H2 3.000E+13 0.000 0.0
- CH2*+O = CO+H2 1.500E+13 0.000 0.0
- CH2*+O = HCO+H 1.500E+13 0.000 0.0
- CH2*+OH = CH2O+H 3.000E+13 0.000 0.0
- CH2*+H2 = CH3+H 7.000E+13 0.000 0.0
- CH2*+O2 = H+OH+CO 2.800E+13 0.000 0.0
- CH2*+O2 = CO+H2O 1.200E+13 0.000 0.0
- CH2*+H2O(+M) = CH3OH(+M) 2.000E+13 0.000 0.0
- LOW / 2.700E+38 -6.300 3100.00/
- TROE/ 0.1507 134.00 2383.00 7265.00 /
- H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
- CH2*+H2O = CH2+H2O 3.000E+13 0.000 0.0
- CH2*+CO = CH2+CO 9.000E+12 0.000 0.0
- CH2*+CO2 = CH2+CO2 7.000E+12 0.000 0.0
- CH2*+CO2 = CH2O+CO 1.400E+13 0.000 0.0
-!
-! Reactions of C
-!
- C+OH = CO+H 5.000E+13 0.000 0.0
- C+O2 = CO+O 5.800E+13 0.000 576.0
-!
-! Reactions of CH
-!
- CH+H = C+H2 1.100E+14 0.000 0.0
- CH+O = CO+H 5.700E+13 0.000 0.0
- CH+OH = HCO+H 3.000E+13 0.000 0.0
- CH+H2 = CH2+H 1.107E+08 1.790 1670.0
- CH+H2O = CH2O+H 5.710E+12 0.000 -755.0
- CH+O2 = HCO+O 3.300E+13 0.000 0.0
- CH+CO(+M) = HCCO(+M) 5.000E+13 0.000 0.0
- LOW / 2.690E+28 -3.740 1936.00/
- TROE/ 0.5757 237.00 1652.00 5069.00 /
- H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
- CH+CO2 = HCO+CO 3.400E+12 0.000 690.0
-!
-! Reactions of CH3OH
-!
- CH3OH+H = CH2OH+H2 1.700E+07 2.100 4870.0
- CH3OH+H = CH3O+H2 4.200E+06 2.100 4870.0
- CH3OH+O = CH2OH+OH 3.880E+05 2.500 3100.0
- CH3OH+O = CH3O+OH 1.300E+05 2.500 5000.0
- CH3OH+OH = CH2OH+H2O 1.440E+06 2.000 -840.0
- CH3OH+OH = CH3O+H2O 6.300E+06 2.000 1500.0
- CH3OH+CH3 = CH2OH+CH4 3.000E+07 1.500 9940.0
- CH3OH+CH3 = CH3O+CH4 1.000E+07 1.500 9940.0
-!
-! Reactions of C2H
-!
- C2H+H(+M) = C2H2(+M) 1.000E+17 -1.000 0.0
- LOW / 3.750E+33 -4.800 1900.00/
- TROE/ 0.6464 132.00 1315.00 5566.00 /
- H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
- C2H+O = CH+CO 5.000E+13 0.000 0.0
- C2H+OH = H+HCCO 2.000E+13 0.000 0.0
- C2H+O2 = HCO+CO 5.000E+13 0.000 1500.0
- C2H+H2 = H+C2H2 4.900E+05 2.500 560.0
-!
-! Reactions of HCCO
-!
- HCCO+H = CH2*+CO 1.000E+14 0.000 0.0
- HCCO+O = H+CO+CO 1.000E+14 0.000 0.0
- HCCO+O2 = OH+2CO 1.600E+12 0.000 854.0
- HCCO+CH = C2H2+CO 5.000E+13 0.000 0.0
- HCCO+CH2 = C2H3+CO 3.000E+13 0.000 0.0
- HCCO+HCCO = C2H2+CO+CO 1.000E+13 0.000 0.0
-!
-! Reactions of CH2CO/HCCOH
-!
- CH2CO+H = HCCO+H2 5.000E+13 0.000 8000.0
- CH2CO+H = CH3+CO 1.130E+13 0.000 3428.0
- CH2CO+O = HCCO+OH 1.000E+13 0.000 8000.0
- CH2CO+O = CH2+CO2 1.750E+12 0.000 1350.0
- CH2CO+OH = HCCO+H2O 7.500E+12 0.000 2000.0
-!
- HCCOH+H = CH2CO+H 1.000E+13 0.000 0.0
-!
-! Reactions of C2H3
-!
- C2H3+H(+M) = C2H4(+M) 6.080E+12 0.270 280.0
- LOW / 1.400E+30 -3.860 3320.00/
- TROE/ 0.7820 207.50 2663.00 6095.00 /
- H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
-!C2H3+H = C2H2+H2 3.000E+13 0.000 0.0
- C2H3+O = CH2CO+H 3.000E+13 0.000 0.0
-!C2H3+OH = C2H2+H2O 5.000E+12 0.000 0.0
-!
- C2H3+O2 = C2H2+HO2 1.66E+14 -0.830 2540.0
-!C2H3+O2 = C2H3O+O 2.50E+12 0.057 950.0 ! 20 Torr
-!C2H3+O2 = C2H3O+O 2.50E+12 0.057 950.0 ! 90 Torr
- C2H3+O2 = C2H3O+O 1.24E+13 -0.120 1696.0 ! 760 Torr
-!C2H3+O2 = HCO+CH2O 1.64E+21 -2.780 2523.0 ! 20 Torr
-!C2H3+O2 = HCO+CH2O 1.64E+21 -2.780 2523.0 ! 90 Torr
-!C2H3+O2 = HCO+CH2O 8.60E+21 -2.970 3320.0 ! 760 Torr
-!
-! Reactions of CH3O/CH2OH
-!
- CH3O+H(+M) = CH3OH(+M) 5.000E+13 0.000 0.0
- LOW / 8.600E+28 -4.000 3025.00/
- TROE/ 0.8902 144.00 2838.00 45569.00 /
- H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
- CH3O+H = CH2OH+H 3.400E+06 1.600 0.0
-!CH3O = CH2OH 1.000E+13 0.000 26000.0 ! new reaction
-!CH3O+H = CH2O+H2 2.000E+13 0.000 0.0
-!CH3O+H = CH3+OH 3.200E+13 0.000 0.0
- CH3O+H = CH2*+H2O 1.600E+13 0.000 0.0
-!CH3O+O = CH2O+OH 1.000E+13 0.000 0.0
-!CH3O+OH = CH2O+H2O 5.000E+12 0.000 0.0
-!CH3O+O2 = CH2O+HO2 4.280E-13 7.600 -3530.0
-!
- CH2OH+H(+M) = CH3OH(+M) 1.800E+13 0.000 0.0
- LOW / 3.000E+31 -4.800 3300.00/
- TROE/ 0.7679 338.00 1812.00 5081.00 /
- H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
- CH2OH+H = CH2O+H2 2.000E+13 0.000 0.0
- CH2OH+H = CH3+OH 1.200E+13 0.000 0.0
- CH2OH+H = CH2*+H2O 6.000E+12 0.000 0.0
- CH2OH+O = CH2O+OH 1.000E+13 0.000 0.0
- CH2OH+OH = CH2O+H2O 5.000E+12 0.000 0.0
- CH2OH+O2 = CH2O+HO2 1.800E+13 0.000 900.0
-!
-! C2O chemistry taken from Miller-Melius
-!
- HCCO + OH = C2O + H2O 3.00E+13 0.0 0.0
- C2O + H = CH + CO 5.00E+13 0.0 0.0
- C2O + O = CO + CO 5.00E+13 0.0 0.0
- C2O + OH = CO + CO + H 2.00E+13 0.0 0.0
- C2O + O2 = CO + CO + O 2.00E+13 0.0 0.0
-!
-! C2H3O chemistry
-!
- CH2CO + H = C2H3O 5.40E+11 0.454 1820.0 ! half of kinf(C2H4+H)
- C2H3O + H = CH2CO + H2 1.00E+13 0.0 0.0 ! Estimated
- C2H3O + O = CH2O + HCO 9.60E+06 1.83 220.0 ! half of k(C2H4+O)
- C2H3O + O = CH2CO + OH 1.00E+13 0.0 0.0 ! Estimated
- C2H3O + OH = CH2CO + H2O 5.00E+12 0.0 0.0 ! Estimated
-!
- CH3 + HCCO = C2H4 + CO 5.00E+13 0.0 0.0 ! Estimated
- CH3 + C2H = C3H3 + H 2.41E+13 0.0 0.0 ! Tsang-Hampson
- CH4 + C2H = C2H2 + CH3 1.81E+12 0.0 500.0 ! Tsang-Hampson
-!
- C2H2 + CH = C3H2 + H 3.00E+13 0.0 0.0 ! Warnatz 83
- C2H2 + CH2 = C3H3 + H 1.20E+13 0.0 6620.0 ! Bohland 86
- C2H2 + CH2* = C3H3 + H 2.00E+13 0.0 0.0 ! Estimated
-!
-!C2H2 + CH3 = AC3H4 + H 2.87E+21 -2.74 24800.0 ! 20 Torr Westmoreland
-!C2H2 + CH3 = AC3H4 + H 2.87E+21 -2.74 24800.0 ! 90 Torr Westmoreland
- C2H2 + CH3 = AC3H4 + H 5.72E+20 -2.36 31500.0 ! 760 Torr Westmoreland
-!
-!C2H2 + CH3 = PC3H4 + H 1.00E+13 -0.53 13400.0 ! 20 Torr Westmoreland
-!C2H2 + CH3 = PC3H4 + H 1.00E+13 -0.53 13400.0 ! 90 Torr Westmoreland
- C2H2 + CH3 = PC3H4 + H 2.72E+18 -1.97 20200.0 ! 760 Torr Westmoreland
-!
- C2H2 + C2H = C4H2 + H 9.60E+13 0.0 0.0 ! New data
-!
-!C2H2 + C2H = n-C4H3 1.10E+30 -6.30 2790.0 ! 20 Torr RRKM
-!C2H2 + C2H = n-C4H3 1.30E+30 -6.12 2510.0 ! 90 Torr RRKM
- C2H2 + C2H = n-C4H3 4.50E+37 -7.68 7100.0 ! 760 Torr RRKM
-!
-!C2H2 + C2H = i-C4H3 4.10E+33 -7.31 4600.0 ! 20 Torr RRKM
-!C2H2 + C2H = i-C4H3 1.60E+34 -7.28 4830.0 ! 90 Torr RRKM
- C2H2 + C2H = i-C4H3 2.60E+44 -9.47 14650.0 ! 760 Torr RRKM
-!
-!C2H3 + C2H2 = C4H4 + H 7.20E+13 -0.48 6100. ! 10 Torr RRKM
-!C2H2 + C2H3 = C4H4 + H 5.00E+14 -0.71 6700. ! 20 Torr RRKM
-!C2H2 + C2H3 = C4H4 + H 4.60E+16 -1.25 8400. ! 90 Torr RRKM
- C2H2 + C2H3 = C4H4 + H 2.00E+18 -1.68 10600. ! 760 Torr RRKM
-!C2H3 + C2H2 = C4H4 + H 4.90E+16 -1.13 11800. ! 7600 Torr RRKM
-!
-!C2H3 + C2H2 = n-C4H5 1.10E+31 -7.14 5600. ! 10 Torr RRKM
-!C2H2 + C2H3 = n-C4H5 1.10E+32 -7.33 6200. ! 20 Torr RRKM
-!C2H2 + C2H3 = n-C4H5 2.40E+31 -6.95 5600. ! 90 Torr RRKM
- C2H2 + C2H3 = n-C4H5 9.30E+38 -8.76 12000. ! 760 Torr RRKM
-!C2H3 + C2H2 = n-C4H5 8.10E+37 -8.09 13400. ! 7600 Torr RRKM
-!
-!C2H3 + C2H2 = i-C4H5 5.00E+34 -8.42 7900. ! 10 Torr RRKM
-!C2H2 + C2H3 = i-C4H5 2.10E+36 -8.78 9100. ! 20 Torr RRKM
-!C2H2 + C2H3 = i-C4H5 1.00E+37 -8.77 9800. ! 90 Torr RRKM
- C2H2 + C2H3 = i-C4H5 1.60E+46 -10.98 18600. ! 760 Torr RRKM
-!C2H3 + C2H2 = i-C4H5 5.10E+53 -12.64 28800. ! 7600 Torr RRKM
-!
- C2H4 + C2H = C4H4 + H 1.20E+13 0.0 0.0 ! Tsang
-!
-!C2H4 + C2H3 = C4H6 + H 7.40E+14 -0.66 8420.0 ! 20 Torr RRKM
-!C2H4 + C2H3 = C4H6 + H 1.90E+17 -1.32 10600.0 ! 90 Torr RRKM
- C2H4 + C2H3 = C4H6 + H 2.80E+21 -2.44 14720.0 ! 760 Torr RRKM
-!
- C2H2 + HCCO = C3H3 + CO 1.00E+11 0.0 3000.0 ! Miller-Bowman
-!
-!C2H4 + O2 = C2H3 + HO2 4.22E+13 0.0 60800.0 ! Tsang-Hampson Ea+3.2kcal/mol
-!
-!C2H3 + H2O2 = C2H4 + HO2 1.21E+10 0.0 -596.0 ! Tsang-Hampson
-!C2H3 + HCO = C2H4 + CO 2.50E+13 0.0 0.0 ! Estimated
- C2H3 + CH3 = C2H2 + CH4 3.92E+11 0.0 0.0 ! Tsang-Hampson
-!
-!C2H3 + C2H3 = C4H6 7.00E+57 -13.82 17629. ! RRKM 20 Torr
-!C2H3 + C2H3 = C4H6 1.50E+52 -11.97 16056. ! RRKM 90 Torr
- C2H3 + C2H3 = C4H6 1.50E+42 -8.84 12483. ! RRKM 760 Torr
-!
-!C2H3 + C2H3 = i-C4H5 + H 1.50E+30 -4.95 12958. ! RRKM 20 Torr
-!C2H3 + C2H3 = i-C4H5 + H 7.20E+28 -4.49 14273. ! RRKM 90 Torr
- C2H3 + C2H3 = i-C4H5 + H 1.20E+22 -2.44 13654. ! RRKM 760 Torr
-!
-!C2H3 + C2H3 = n-C4H5 + H 1.10E+24 -3.28 12395. ! RRKM 20 Torr
-!C2H3 + C2H3 = n-C4H5 + H 4.60E+24 -3.38 14650. ! RRKM 90 Torr
- C2H3 + C2H3 = n-C4H5 + H 2.40E+20 -2.04 15361. ! RRKM 760 Torr
-!
-! Reactions of C3Hx species
-!
- C3H2 + O = C2H2 + CO 6.80E+13 0.0 0.0 ! Warnatz 82
- C3H2 + OH = HCO + C2H2 6.80E+13 0.0 0.0 ! Warnatz 82
- C3H2 + O2 = HCCO + CO + H 5.00E+13 0.0 0.0 ! Miller-Melius
- C3H2 + CH = C4H2 + H 5.00E+13 0.0 0.0 ! Estimated
- C3H2 + CH2 = n-C4H3 + H 5.00E+13 0.0 0.0 ! Estimated
- C3H2 + CH3 = C4H4 + H 5.00E+12 0.0 0.0 ! Estimated
- C3H2 + HCCO = n-C4H3 + CO 1.00E+13 0.0 0.0 ! Estimated
-!
- C3H3 + H (+M) = AC3H4 (+M) 3.00E+13 0.0 0.0 ! Estimated
- LOW/ 1.4E+31 -5.00 -6000.0/
- TROE / 0.5 2000. 10.0 10000.0/
- H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
- C3H3 + H (+M) = PC3H4 (+M) 3.00E+13 0.0 0.0 ! Estimated
- LOW/ 1.4E+31 -5.00 -6000.0/
- TROE / 0.5 2000. 10.0 10000.0/
- H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
- C3H3 + O = CH2O + C2H 2.00E+13 0.0 0.0 ! Miller-Bowman
- C3H3 + OH = C3H2 + H2O 2.00E+13 0.0 0.0 ! Miller-Bowman
-!C3H3 + OH = C2H3 + HCO 4.00E+13 0.0 0.0 ! Estimated
- C3H3 + O2 = CH2CO + HCO 3.00E+10 0.0 2878.0 ! Gutman
-!C3H3 + HO2 = AC3H4 + O2 1.00E+12 0.0 0.0 ! Estimated
- C3H3 + HO2 = PC3H4 + O2 1.00E+12 0.0 0.0 ! Estimated
- C3H3 + HCO = AC3H4 + CO 2.50E+13 0.0 0.0 ! Estimated
- C3H3 + HCO = PC3H4 + CO 2.50E+13 0.0 0.0 ! Estimated
- C3H3 + CH = i-C4H3 + H 5.00E+13 0.0 0.0 ! Estimated
- C3H3 + CH2 = C4H4 + H 2.00E+13 0.0 0.0 ! Estimated
- i-C4H5 + H = C3H3 + CH3 2.00E+13 0.0 2000.0 ! Estimated
- C3H3 + CH3 (+M) = C4H612 (+M) 1.50E+13 0.0 0.0 ! kinf assumed, falloff:C2H3+CH3 600 cm-1
- LOW /2.60E+58 -11.94 9770.0/
- TROE /0.175 1340.6 60000.0 9769.8/
- H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
-!C3H3 + C3H3 =>A1 1.00E+11 0.0 0.0 ! 20 Torr, Estimated
-!C3H3 + C3H3 =>A1 1.00E+12 0.0 0.0 ! 90 Torr, Estimated
- C3H3 + C3H3 =>A1 2.00E+12 0.0 0.0 ! 760 Torr, Estimated
-!
- AC3H4 + H = C3H3 + H2 1.15E+08 1.9 7530.0 !
- AC3H4 + O = CH2CO + CH2 2.00E+07 1.8 1000.0 ! Estimated
- AC3H4 + OH = C3H3 + H2O 5.30E+06 2.0 2000.0 ! Refit to Liu et al.
- AC3H4 + C2H = C2H2 + C3H3 1.00E+13 0.0 0.0 ! Estimated
-!
- PC3H4 + H = C3H3 + H2 1.15E+08 1.9 7530.0 ! = C2H6 + H
- PC3H4 + OH = C3H3 + H2O 3.54E+06 2.12 870.0 ! = C2H6 + OH
- PC3H4 + C2H = C2H2 + C3H3 1.00E+13 0.0 0.0 ! Estimated
-!
-! Reactions of C4H and C4H2
-!
- C4H + H (+M) = C4H2 (+M) 1.000E+17 -1.000 0.00
- LOW / 3.750E+33 -4.800 1900.00/
- TROE/ 0.6464 132.00 1315.00 5566.00 /
- H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
- C4H + C2H2 = C6H2 + H 9.60E+13 0.0 0.0 ! = C2H2 + C2H
- C4H + O = C2H + C2O 5.00E+13 0.0 0.0 ! = C2H + O
- C4H + O2 = HCCO + C2O 5.00E+13 0.0 1500.0 ! = C2H + O2
- C4H + H2 = H + C4H2 4.90E+05 2.5 560.0 ! = C2H + H2
-!
-!C4H2 + H = n-C4H3 1.70E+49 -11.67 12804.0 ! 20 Torr RRKM
-!C4H2 + H = n-C4H3 3.30E+50 -11.80 15010.0 ! 90 Torr RRKM
- C4H2 + H = n-C4H3 1.10E+42 -8.72 15300.0 ! 760 Torr RRKM
-!
-!C4H2 + H = i-C4H3 4.30E+45 -10.15 13250.0 ! 20 Torr RRKM
-!C4H2 + H = i-C4H3 2.60E+46 -10.15 15500.0 ! 90 Torr RRKM
- C4H2 + H = i-C4H3 1.10E+30 -4.92 10800.0 ! 760 Torr RRKM
-!
- C4H2 + O = C3H2 + CO 2.70E+13 0.0 1720.0 ! Wellman
- C4H2 + OH = H2C4O + H 6.60E+12 0.0 -410.0 ! Perry
- C4H2 + OH = C4H + H2O 3.37E+07 2.0 14000.0 ! = C2H2 + OH
- C4H2 + CH = C5H2 + H 5.00E+13 0.0 0.0 ! Estimated
- C4H2 + CH2 = C5H3 + H 1.30E+13 0.0 6620.0 ! = C2H2 + CH2
- C4H2 + CH2* = C5H3 + H 2.00E+13 0.0 0.0 ! Miller-Melius
-!
- C4H2 + C2H = C6H2 + H 9.60E+13 0.0 0.0 ! = C2H2 + C2H
-!C4H2 + C2H = C6H2 + H 3.00E+13 0.0 0.0 ! = C2H2 + C2H
-!
-!C4H2 + C2H = C6H3 1.10E+30 -6.30 2790.0 ! 20 Torr RRKM
-!C4H2 + C2H = C6H3 1.30E+30 -6.12 2510.0 ! 90 Torr RRKM
- C4H2 + C2H = C6H3 4.50E+37 -7.68 7100.0 ! 760 Torr RRKM
-!
- H2C4O + H = C2H2 + HCCO 5.00E+13 0.0 3000.0 ! Miller-Melius
- H2C4O + OH = CH2CO + HCCO 1.00E+07 2.0 2000.0 ! Miller-Melius
- H2C4O + O = CH2CO + C2O 2.00E+07 1.9 200.0 ! Estimated
-!
-! Reactions of C4H3 and C4H4
-!
-!n-C4H3 = i-C4H3 3.70E+61 -15.81 54890.0 ! 20 Torr RRKM
-!n-C4H3 = i-C4H3 1.00E+51 -12.45 51000.0 ! 90 Torr RRKM
- n-C4H3 = i-C4H3 4.10E+43 -9.49 53000.0 ! 760 Torr RRKM
-!
-!n-C4H3 + H = i-C4H3 + H 2.40E+11 0.79 2410.0 ! 20 Torr RRKM
-!n-C4H3 + H = i-C4H3 + H 9.20E+11 0.63 2990.0 ! 90 Torr RRKM
- n-C4H3 + H = i-C4H3 + H 2.50E+20 -1.67 10800.0 ! 760 Torr RRKM
-!
-!n-C4H3 + H = C2H2 + C2H2 1.60E+19 -1.60 2220.0 ! 20 Torr RRKM
-!n-C4H3 + H = C2H2 + C2H2 1.30E+20 -1.85 2960.0 ! 90 Torr RRKM
- n-C4H3 + H = C2H2 + C2H2 6.30E+25 -3.34 10014.0 ! 760 Torr RRKM
-!
-!i-C4H3 + H = C2H2 + C2H2 2.40E+19 -1.60 2800.0 ! 20 Torr RRKM
-!i-C4H3 + H = C2H2 + C2H2 3.70E+22 -2.50 5140.0 ! 90 Torr RRKM
- i-C4H3 + H = C2H2 + C2H2 2.80E+23 -2.55 10780.0 ! 760 Torr RRKM
-!
-!n-C4H3 + H = C4H4 1.10E+42 -9.65 7000.0 ! 20 Torr RRKM
-!n-C4H3 + H = C4H4 1.10E+42 -9.65 7000.0 ! 90 Torr RRKM
- n-C4H3 + H = C4H4 2.00E+47 -10.26 13070.0 ! 760 Torr RRKM
-!
-!i-C4H3 + H = C4H4 4.20E+44 -10.27 7890.0 ! 20 Torr RRKM
-!i-C4H3 + H = C4H4 5.30E+46 -10.68 9270.0 ! 90 Torr RRKM
- i-C4H3 + H = C4H4 3.40E+43 -9.01 12120.0 ! 760 Torr RRKM
-!
- n-C4H3 + H = C4H2 + H2 1.50E+13 0.00 0.0 ! 0.5*C2H3+H
- i-C4H3 + H = C4H2 + H2 3.00E+13 0.00 0.0 ! C2H3+H
- n-C4H3 + OH = C4H2 + H2O 2.50E+12 0.00 0.0
- i-C4H3 + OH = C4H2 + H2O 5.00E+12 0.00 0.0
- i-C4H3 + O2 = HCCO + CH2CO 7.86E+16 -1.80 0.0 ! Gutman
-!
-!n-C4H3 + C2H2 = l-C6H4 + H 1.40E+15 -0.81 10000. ! 10 Torr RRKM
-!n-C4H3 + C2H2 = l-C6H4 + H 3.70E+16 -1.21 11100. ! 20 Torr RRKM
-!n-C4H3 + C2H2 = l-C6H4 + H 1.80E+19 -1.95 13200. ! 90 Torr RRKM
- n-C4H3 + C2H2 = l-C6H4 + H 2.50E+14 -0.56 10600. ! 760 Torr RRKM
-!n-C4H3 + C2H2 = l-C6H4 + H 1.20E+17 -1.28 13700. ! 7600 Torr RRKM
-!
-!n-C4H3 + C2H2 = n-C6H5 1.50E+33 -7.29 13300. ! 10 Torr RRKM
-!n-C4H3 + C2H2 = n-C6H5 6.00E+33 -7.37 13700. ! 20 Torr RRKM
-!n-C4H3 + C2H2 = n-C6H5 4.10E+33 -7.12 13700. ! 90 Torr RRKM
- n-C4H3 + C2H2 = n-C6H5 2.70E+36 -7.62 16200. ! 760 Torr RRKM
-!n-C4H3 + C2H2 = n-C6H5 3.80E+21 -3.17 6400. ! 7600 Torr RRKM
-!
-!n-C4H3 + C2H2 = A1- 1.40E+67 -17.42 23000. ! 10 Torr RRKM
-!n-C4H3 + C2H2 = A1- 2.30E+68 -17.65 24400. ! 20 Torr RRKM
-!n-C4H3 + C2H2 = A1- 9.80E+68 -17.58 26500. ! 90 Torr RRKM
- n-C4H3 + C2H2 = A1- 9.60E+70 -17.77 31300. ! 760 Torr RRKM
-!n-C4H3 + C2H2 = A1- 1.90E+63 -15.25 30600. ! 7600 Torr RRKM
-!
-!n-C4H3 + C2H2 = c-C6H4 + H 9.20E+33 -6.57 15900. ! 10 Torr RRKM
-!n-C4H3 + C2H2 = c-C6H4 + H 1.90E+36 -7.21 17900. ! 20 Torr RRKM
-!n-C4H3 + C2H2 = c-C6H4 + H 3.50E+41 -8.63 23000. ! 90 Torr RRKM
- n-C4H3 + C2H2 = c-C6H4 + H 6.90E+46 -10.01 30100. ! 760 Torr RRKM
-!n-C4H3 + C2H2 = c-C6H4 + H 3.10E+49 -10.59 37700. ! 7600 Torr RRKM
-!
-!C4H4 + H = n-C4H5 1.20E+51 -12.57 12300. ! 10 Torr RRKM
-!C4H4 + H = n-C4H5 4.20E+50 -12.34 12500. ! 20 Torr RRKM
-!C4H4 + H = n-C4H5 1.10E+50 -11.94 13400. ! 90 Torr RRKM
- C4H4 + H = n-C4H5 1.30E+51 -11.92 16500. ! 760 Torr RRKM
-!C4H4 + H = n-C4H5 6.20E+45 -10.08 15800. ! 7600 Torr RRKM
-!
-!C4H4 + H = i-C4H5 6.10E+53 -13.19 14200. ! 10 Torr RRKM
-!C4H4 + H = i-C4H5 9.60E+52 -12.85 14300. ! 20 Torr RRKM
-!C4H4 + H = i-C4H5 2.10E+52 -12.44 15500. ! 90 Torr RRKM
- C4H4 + H = i-C4H5 4.90E+51 -11.92 17700. ! 760 Torr RRKM
-!C4H4 + H = i-C4H5 1.50E+48 -10.58 18800. ! 7600 Torr RRKM
-!
- C4H4 + H = n-C4H3 + H2 6.65E+05 2.53 12240.0 ! =(C2H4+H)/2
- C4H4 + H = i-C4H3 + H2 3.33E+05 2.53 9240.0 ! -3kcal/mol, /4
-!
- C4H4 + OH = n-C4H3 + H2O 3.10E+06 2.0 3430.0 ! = C4H6 + OH
- C4H4 + OH = i-C4H3 + H2O 1.55E+06 2.0 430.0 ! -3kcal/mol, /2
-!
- C4H4 + O = PC3H4 + CO 3.00E+13 0.0 1808.0 ! Homann&Wellman
-!
-!C4H4 + C2H3 = l-C6H6 + H 7.40E+14 -0.66 8420.0 ! 20 Torr
-!C4H4 + C2H3 = l-C6H6 + H 1.90E+17 -1.32 10600.0 ! 90 Torr
- C4H4 + C2H3 = l-C6H6 + H 2.80E+21 -2.44 14720.0 ! 760 Torr
-!
-! Reactions of C4H5 and 1,3-C4H6
-!
-!n-C4H5 = i-C4H5 2.40E+60 -16.08 47500. ! 10 Torr RRKM
-!n-C4H5 = i-C4H5 1.30E+62 -16.38 49600. ! 20 Torr RRKM
-!n-C4H5 = i-C4H5 4.90E+66 -17.26 55400. ! 90 Torr RRKM
- n-C4H5 = i-C4H5 1.50E+67 -16.89 59100. ! 760 Torr RRKM
-!n-C4H5 = i-C4H5 2.00E+60 -14.46 58600. ! 7600 Torr RRKM
-!
-!n-C4H5 + H = i-C4H5 + H 1.00E+36 -6.26 17486. ! RRKM 20 Torr
-!n-C4H5 + H = i-C4H5 + H 1.00E+34 -5.61 18476. ! RRKM 90 Torr
- n-C4H5 + H = i-C4H5 + H 3.10E+26 -3.35 17423. ! RRKM 760 Torr
-!
-!C4H6 = i-C4H5 + H 8.20E+51 -10.92 118409. ! RRKM 20 Torr
-!C4H6 = i-C4H5 + H 3.30E+45 -8.95 115934. ! RRKM 90 Torr
- C4H6 = i-C4H5 + H 5.70E+36 -6.27 112353. ! RRKM 760 Torr
-!
-!C4H6 = n-C4H5 + H 3.50E+61 -13.87 129677. ! RRKM 20 Torr
-!C4H6 = n-C4H5 + H 8.50E+54 -11.78 127472. ! RRKM 90 Torr
- C4H6 = n-C4H5 + H 5.30E+44 -8.62 123608. ! RRKM 760 Torr
-!
- n-C4H5 + H = C4H4 + H2 1.50E+13 0.00 0.
- i-C4H5 + H = C4H4 + H2 3.00E+13 0.00 0.
- n-C4H5 + OH = C4H4 + H2O 2.50E+12 0.00 0.
- i-C4H5 + OH = C4H4 + H2O 5.00E+12 0.00 0.
- n-C4H5 + O2 => C2H4 + CO + HCO 4.16E+10 0.00 2500. ! Gutman
- i-C4H5 + O2 = CH2CO + C2H3O 7.86E+16 -1.80 0. ! =i-C4H3+O2
-!
-!n-C4H5 + C2H2 + M = n-C6H7 + M 4.50E+26 -3.28 10200. ! 10 Torr RRKM
-!n-C4H5 + C2H2 + M = n-C6H7 + M 4.50E+26 -3.28 10200. ! 20 Torr RRKM
-!n-C4H5 + C2H2 + M = n-C6H7 + M 4.50E+26 -3.28 10200. ! 90 Torr RRKM
- n-C4H5 + C2H2 = n-C6H7 1.10E+14 -1.27 2900. ! 760 Torr RRKM
-!n-C4H5 + C2H2 = n-C6H7 5.20E+15 -1.46 4000. ! 7600 Torr RRKM
-!
-!n-C4H5 + C2H2 + M = c-C6H7 + M 5.20E+25 -4.21 4000. ! 10 Torr RRKM
-!n-C4H5 + C2H2 + M = c-C6H7 + M 5.20E+25 -4.21 4000. ! 20 Torr RRKM
-!n-C4H5 + C2H2 + M = c-C6H7 + M 5.20E+25 -4.21 4000. ! 90 Torr RRKM
- n-C4H5 + C2H2 = c-C6H7 5.00E+24 -5.46 4600. ! 760 Torr RRKM
-!n-C4H5 + C2H2 = c-C6H7 7.70E+25 -5.50 5400. ! 7600 Torr RRKM
-!
-!n-C4H5 + C2H2 = l-C6H6 + H 5.80E+08 1.02 10900. ! 10 Torr RRKM
-!n-C4H5 + C2H2 = l-C6H6 + H 5.80E+08 1.02 10900. ! 20 Torr RRKM
-!n-C4H5 + C2H2 = l-C6H6 + H 5.80E+08 1.02 10900. ! 90 Torr RRKM
- n-C4H5 + C2H2 = l-C6H6 + H 5.80E+08 1.02 10900. ! 760 Torr RRKM
-!n-C4H5 + C2H2 = l-C6H6 + H 2.90E+04 2.24 8600. ! 7600 Torr RRKM
-!
-!n-C4H5 + C2H2 = A1 + H 2.10E+15 -1.07 4800. ! 10 Torr RRKM
-!n-C4H5 + C2H2 = A1 + H 2.10E+15 -1.07 4800. ! 20 Torr RRKM
-!n-C4H5 + C2H2 = A1 + H 2.10E+15 -1.07 4800. ! 90 Torr RRKM
- n-C4H5 + C2H2 = A1 + H 1.60E+16 -1.33 5400. ! 760 Torr RRKM
-!n-C4H5 + C2H2 = A1 + H 1.60E+18 -1.88 7400. ! 7600 Torr RRKM
-!
- C4H6 + H = n-C4H5 + H2 1.33E+06 2.53 12240.0 ! = C2H4 + H
- C4H6 + H = i-C4H5 + H2 6.65E+05 2.53 9240.0 ! -3kcal/mol,/2
- C4H6 + OH = n-C4H5 + H2O 6.20E+06 2.0 3430.0 ! refit to Liu et al.
- C4H6 + OH = i-C4H5 + H2O 3.10E+06 2.0 430.0 ! -3kcal/mol
-!
-!C4H6 + C2H3 = C6H8 + H 7.40E+14 -0.66 8420.0 ! 20 Torr
-!C4H6 + C2H3 = C6H8 + H 1.90E+17 -1.32 10600.0 ! 90 Torr
- C4H6 + C2H3 = C6H8 + H 2.80E+21 -2.44 14720.0 ! 760 Torr
-!
-! Reactions of 1,2-C4H6
-!
- C4H612 + H = C4H6 + H 2.00E+13 0.0 4000.0 ! Estimated
- C4H612 + H = i-C4H5 + H2 1.70E+05 2.5 2490.0 ! = C3H6+H TS5
- C4H612 + H = AC3H4 + CH3 2.00E+13 0.0 2000.0 ! Estimated
- C4H612 + O = CH2CO + C2H4 1.20E+08 1.65 327.0 ! C3H6+O TS5
- C4H612 + O = i-C4H5 + OH 1.80E+11 0.70 5880.0 ! C3H6+O TS5
- C4H612 + OH = i-C4H5 + H2O 3.10E+06 2.00 -298.0 ! C3H6+OH
-!
-! Reactions of C5H2 and C5H3
-!
- C5H2 + OH => C4H2 + H + CO 2.00E+13 0.0 0.0 ! Estimated
- C5H2 + CH = C6H2 + H 5.00E+13 0.0 0.0 ! Estimated
- C5H2 + O2 = H2C4O + CO 1.00E+12 0.0 0.0 ! Estimated
- C5H3 + OH = C5H2 + H2O 1.00E+13 0.0 0.0 ! Estimated
- C5H3 + CH = C6H2 + H + H 5.00E+13 0.0 0.0 ! Estimated
- C5H3 + CH2 = l-C6H4 + H 5.00E+13 0.0 0.0 ! = C3H3+CH2
- C5H3 + O2 = H2C4O + HCO 1.00E+12 0.0 0.0 ! Estimated
-!
-! Reactions of C6H and C6H2
-!
- C6H + H (+M) = C6H2 (+M) 1.000E+17 -1.000 0.0
- LOW / 3.750E+33 -4.800 1900.00/
- TROE/ 0.6464 132.00 1315.00 5566.00 /
- H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/ AR/0.7/
-!C6H2 + H = C6H3 4.30E+45 -10.15 13250.0 ! 20 Torr
-!C6H2 + H = C6H3 2.60E+46 -10.15 15500.0 ! 90 Torr
- C6H2 + H = C6H3 1.10E+30 -4.92 10800.0 ! 760 Torr
- C6H + O = C4H + C2O 5.00E+13 0.0 0.0 ! = C2H + O
- C6H + H2 = H + C6H2 4.90E+05 2.5 560.0 ! = C2H + H2
- C6H2 + O = C5H2 + CO 2.70E+13 0.0 1720.0 ! = C4H2 + O
- C6H2 + OH =>C2H+C2H2+C2O 6.60E+12 0.0 -410.0 ! = C4H2 + OH
- C6H2 + OH = C6H + H2O 3.37E+07 2.0 14000.0 ! = C2H2 + OH
-!
-! Reactions of C6H3 and C6H4
-!
-!C6H3 + H = C4H2 + C2H2 2.40E+19 -1.60 2800.0 ! 20 Torr RRKM
-!C6H3 + H = C4H2 + C2H2 3.70E+22 -2.50 5140.0 ! 90 Torr RRKM
- C6H3 + H = C4H2 + C2H2 2.80E+23 -2.55 10780.0 ! 760 Torr RRKM
-!
-!C6H3 + H = l-C6H4 4.20E+44 -10.27 7890.0 ! 20 Torr RRKM
-!C6H3 + H = l-C6H4 5.30E+46 -10.68 9270.0 ! 90 Torr RRKM
- C6H3 + H = l-C6H4 3.40E+43 -9.01 12120.0 ! 760 Torr RRKM
-!
- C6H3 + H = C6H2 + H2 3.00E+13 0.00 0.0 ! C2H3+H
- C6H3 + OH = C6H2 + H2O 5.00E+12 0.00 0.0
- C6H3+O2 => CO+C3H2+HCCO 5.00E+11 0.00 0.0 ! Estimated
-!
-!l-C6H4 + H = n-C6H5 1.60E+44 -10.05 18400. ! 10 Torr RRKM
-!l-C6H4 + H = n-C6H5 3.30E+44 -10.04 18800. ! 20 Torr RRKM
-!l-C6H4 + H = n-C6H5 2.60E+43 -9.53 18100. ! 90 Torr RRKM
- l-C6H4 + H = n-C6H5 5.90E+39 -8.25 15600. ! 760 Torr RRKM
-!l-C6H4 + H = n-C6H5 9.50E+23 -3.54 5300. ! 7600 Torr RRKM
-!
-!l-C6H4 + H = A1- 4.40E+74 -19.09 25800. ! 10 Torr RRKM
-!l-C6H4 + H = A1- 3.60E+77 -20.09 28100. ! 20 Torr RRKM
-!l-C6H4 + H = A1- 4.70E+78 -20.10 29500. ! 90 Torr RRKM
- l-C6H4 + H = A1- 1.70E+78 -19.72 31400. ! 760 Torr RRKM
-!l-C6H4 + H = A1- 3.90E+69 -16.63 34100. ! 7600 Torr RRKM
-!
-!l-C6H4 + H = c-C6H4+ H 8.70E+45 -9.61 22300. ! 10 Torr RRKM
-!l-C6H4 + H = c-C6H4+ H 2.20E+47 -9.98 24000. ! 20 Torr RRKM
-!l-C6H4 + H = c-C6H4+ H 9.70E+48 -10.37 27000. ! 90 Torr RRKM
- l-C6H4 + H = c-C6H4+ H 1.40E+54 -11.70 34500. ! 760 Torr RRKM
-!l-C6H4 + H = c-C6H4+ H 5.70E+55 -11.98 41900. ! 7600 Torr RRKM
-!
- l-C6H4 + H = C6H3 + H2 6.65E+06 2.53 9240.0 ! = C4H4+H
- l-C6H4 + OH = C6H3 + H2O 3.10E+06 2.0 430.0
-!
-!c-C6H4 + H = A1- 2.30E+79 -19.51 36800. ! 10 Torr RRKM
-!c-C6H4 + H = A1- 1.20E+77 -18.77 36300. ! 20 Torr RRKM
-!c-C6H4 + H = A1- 1.00E+71 -16.88 34200. ! 90 Torr RRKM
- c-C6H4 + H = A1- 2.40E+60 -13.66 29500. ! 760 Torr RRKM
-!c-C6H4 + H = A1- 1.50E+47 -9.74 22900. ! 7600 Torr RRKM
-!
-! Reactions of C6H5 and C6H6
-!
-!n-C6H5 = A1- 3.70E+63 -16.49 36100. ! 10 Torr RRKM
-!n-C6H5 = A1- 1.30E+62 -15.94 35800. ! 20 Torr RRKM
-!n-C6H5 = A1- 1.30E+59 -14.78 35600. ! 90 Torr RRKM
- n-C6H5 = A1- 5.10E+54 -13.11 35700. ! 760 Torr RRKM
-!n-C6H5 = A1- 3.50E+46 -10.44 33600. ! 7600 Torr RRKM
-!
-!n-C6H5 = c-C6H4 + H 1.60E+65 -16.00 58400. ! 10 Torr RRKM
-!n-C6H5 = c-C6H4 + H 2.70E+65 -15.93 59700. ! 20 Torr RRKM
-!n-C6H5 = c-C6H4 + H 1.50E+64 -15.32 61500. ! 90 Torr RRKM
- n-C6H5 = c-C6H4 + H 1.30E+59 -13.56 62000. ! 760 Torr RRKM
-!n-C6H5 = c-C6H4 + H 1.10E+50 -10.69 60900. ! 7600 Torr RRKM
-!
-!n-C6H5 + H = i-C6H5 + H 2.40E+11 0.79 2410.0 ! 20 Torr RRKM
-!n-C6H5 + H = i-C6H5 + H 9.20E+11 0.63 2990.0 ! 90 Torr RRKM
- n-C6H5 + H = i-C6H5 + H 2.50E+20 -1.67 10800.0 ! 760 Torr RRKM
-!
-!n-C6H5 + H = C4H4 + C2H2 1.60E+19 -1.60 2220.0 ! 20 Torr RRKM
-!n-C6H5 + H = C4H4 + C2H2 1.30E+20 -1.85 2960.0 ! 90 Torr RRKM
- n-C6H5 + H = C4H4 + C2H2 6.30E+25 -3.34 10014.0 ! 760 Torr RRKM
-!
-!i-C6H5 + H = C4H4 + C2H2 2.40E+19 -1.60 2800.0 ! 20 Torr RRKM
-!i-C6H5 + H = C4H4 + C2H2 3.70E+22 -2.50 5140.0 ! 90 Torr RRKM
- i-C6H5 + H = C4H4 + C2H2 2.80E+23 -2.55 10780.0 ! 760 Torr RRKM
-!
-!n-C6H5 + H = l-C6H6 1.10E+42 -9.65 7000.0 ! 20 Torr RRKM
-!n-C6H5 + H = l-C6H6 1.10E+42 -9.65 7000.0 ! 90 Torr RRKM
- n-C6H5 + H = l-C6H6 2.00E+47 -10.26 13070.0 ! 760 Torr RRKM
-!
-!i-C6H5 + H = l-C6H6 4.20E+44 -10.27 7890.0 ! 20 Torr RRKM
-!i-C6H5 + H = l-C6H6 5.30E+46 -10.68 9270.0 ! 90 Torr RRKM
- i-C6H5 + H = l-C6H6 3.40E+43 -9.01 12120.0 ! 760 Torr RRKM
-!
- n-C6H5 + H = l-C6H4 + H2 1.50E+13 0.00 0.0 ! 0.5*C2H3+H
- i-C6H5 + H = l-C6H4 + H2 3.00E+13 0.00 0.0 ! C2H3+H
- n-C6H5 + OH = l-C6H4 + H2O 2.50E+12 0.00 0.0
- i-C6H5 + OH = l-C6H4 + H2O 5.00E+12 0.00 0.0
- n-C6H5 + O2 => C4H4 + CO + HCO 4.16E+10 0.00 2500. ! =(n-C4H5+O2)
- i-C6H5 + O2 => CH2CO+CH2CO+C2H 7.86E+16 -1.80 0.0 ! =(i-C4H3+O2)
-!
-!l-C6H6 + H + M = n-C6H7 + M 2.90E+17 -0.52 1000. ! 10 Torr RRKM
-!l-C6H6 + H + M = n-C6H7 + M 2.90E+17 -0.52 1000. ! 20 Torr RRKM
-!l-C6H6 + H + M = n-C6H7 + M 2.90E+17 -0.52 1000. ! 90 Torr RRKM
- l-C6H6 + H = n-C6H7 1.50E+16 -1.69 1600. ! 760 Torr RRKM
-!l-C6H6 + H = n-C6H7 2.20E+18 -2.01 3200. ! 7600 Torr RRKM
-!
-!l-C6H6 + H + M = c-C6H7 + M 1.70E+28 -4.72 2800. ! 10 Torr RRKM
-!l-C6H6 + H + M = c-C6H7 + M 1.70E+28 -4.72 2800. ! 20 Torr RRKM
-!l-C6H6 + H + M = c-C6H7 + M 1.70E+28 -4.72 2800. ! 90 Torr RRKM
- l-C6H6 + H = c-C6H7 4.70E+27 -6.11 3800. ! 760 Torr RRKM
-!l-C6H6 + H = c-C6H7 5.10E+28 -6.10 4800. ! 7600 Torr RRKM
-!
-!l-C6H6 + H = A1 + H 8.70E+16 -1.34 3500. ! 10 Torr RRKM
-!l-C6H6 + H = A1 + H 8.70E+16 -1.34 3500. ! 20 Torr RRKM
-!l-C6H6 + H = A1 + H 8.70E+16 -1.34 3500. ! 90 Torr RRKM
- l-C6H6 + H = A1 + H 2.00E+18 -1.73 4500. ! 760 Torr RRKM
-!l-C6H6 + H = A1 + H 3.70E+20 -2.35 6800. ! 7600 Torr RRKM
-!
- l-C6H6 + H = n-C6H5 + H2 6.65E+05 2.53 12240.0 ! = C2H4 + H/2
- l-C6H6 + H = i-C6H5 + H2 3.33E+05 2.53 9240.0 ! -3kcal/mol,/4
- l-C6H6 + OH = n-C6H5 + H2O 6.20E+06 2.0 3430.0 ! see notes
- l-C6H6 + OH = i-C6H5 + H2O 3.10E+06 2.0 430.0 ! see notes
-!
-! Reactions of C6H7 and C6H8
-!
-!n-C6H7 = c-C6H7 2.40E+23 -6.94 3200. ! 10 Torr RRKM
-!n-C6H7 = c-C6H7 4.10E+24 -7.11 3900. ! 20 Torr RRKM
-!n-C6H7 = c-C6H7 3.60E+27 -7.54 5800. ! 90 Torr RRKM
- n-C6H7 = c-C6H7 1.20E+31 -7.95 8900. ! 760 Torr RRKM
-!n-C6H7 = c-C6H7 9.40E+30 -7.30 10800. ! 7600 Torr RRKM
-!
-!n-C6H7 = A1 + H 5.90E+20 -3.98 10500. ! 10 Torr RRKM
-!n-C6H7 = A1 + H 8.40E+21 -4.22 11300. ! 20 Torr RRKM
-!n-C6H7 = A1 + H 8.80E+24 -4.86 13400. ! 90 Torr RRKM
- n-C6H7 = A1 + H 3.20E+26 -4.99 15500. ! 760 Torr RRKM
-!n-C6H7 = A1 + H 5.30E+25 -4.42 17300. ! 7600 Torr RRKM
-!
-!n-C6H7 + H = i-C6H7 + H 4.00E+41 -8.09 19200. ! 20 Torr
-!n-C6H7 + H = i-C6H7 + H 1.60E+42 -8.18 21800. ! 90 Torr
- n-C6H7 + H = i-C6H7 + H 2.40E+49 -10.72 15100. ! 760 Torr
-!
-!i-C6H7 + H = C6H8 1.20E+60 -13.86 21000. ! 20 Torr
-!i-C6H7 + H = C6H8 1.40E+55 -12.32 19300. ! 90 Torr
- i-C6H7 + H = C6H8 1.80E+39 -7.62 11000. ! 760 Torr
-!
-!n-C6H7 + H = C6H8 8.70E+69 -17.01 24000. ! 20 Torr
-!n-C6H7 + H = C6H8 6.70E+65 -15.64 23200. ! 90 Torr
- n-C6H7 + H = C6H8 5.60E+48 -10.54 14700. ! 760 Torr
-!
- n-C6H7 + H = l-C6H6 + H2 1.50E+13 0.00 0.
- i-C6H7 + H = l-C6H6 + H2 3.00E+13 0.00 0.
- n-C6H7 + OH = l-C6H6 + H2O 2.50E+12 0.00 0.
- i-C6H7 + OH = l-C6H6 + H2O 5.00E+12 0.00 0.
- n-C6H7 + O2 => C4H6 + CO + HCO 4.16E+10 0.00 2500. ! =(n-C4H5+O2)
- i-C6H7 + O2 => CH2CO+CH2CO+C2H3 7.86E+16 -1.80 0.0 ! =(i-C4H3+O2)
-!
- C6H8 + H = n-C6H7 + H2 1.33E+06 2.53 12240.0 ! = C2H4 + H
- C6H8 + H = i-C6H7 + H2 6.65E+05 2.53 9240.0 ! -3kcal/mol, /2
- C6H8 + OH = n-C6H7 + H2O 6.20E+06 2.0 3430.0 ! see notes
- C6H8 + OH = i-C6H7 + H2O 3.10E+06 2.0 430.0 ! see notes
-!
-! Reactions of benzene and phenyl
-!
-!A1 + H = c-C6H7 3.20E+51 -12.57 13500. ! 20 Torr RRKM
-!A1 + H = c-C6H7 1.70E+52 -12.54 15000. ! 90 Torr RRKM
- A1 + H = c-C6H7 1.40E+51 -11.90 16100. ! 760 Torr RRKM
-!
- A1 + H = A1- + H2 2.50E+14 0.0 16000. ! Kiefer
- A1 + OH = A1- + H2O 1.60E+08 1.42 1450. ! CEC
-!
- A1- + H (+M) = A1 (+M) 1.00E+14 0.00 0. ! RRKM
- LOW/ 6.6E+75 -16.30 7000. /
- TROE / 1.0 0.1 584.9 6113. /
- H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
-!
-! Formation and reactions of A1C2H
-!
-!n-C4H3 + C4H2 = A1C2H- 1.40E+67 -17.42 23000. ! 10 Torr =(C2H2 + n-C4H3)
-!n-C4H3 + C4H2 = A1C2H- 2.30E+68 -17.65 24400. ! 20 Torr
-!n-C4H3 + C4H2 = A1C2H- 9.80E+68 -17.58 26500. ! 90 Torr
- n-C4H3 + C4H2 = A1C2H- 9.60E+70 -17.77 31300. ! 760 Torr
-!n-C4H3 + C4H2 = A1C2H- 1.90E+63 -15.25 30600. ! 7600 Torr
-!
- A1 + C2H = A1C2H + H 5.00E+13 0.0 0. ! Estimated
-!
-!A1- + C2H2 = n-A1C2H2 4.00E+39 -8.94 12000. ! 10 Torr RRKM
-!A1- + C2H2 = n-A1C2H2 7.70E+40 -9.19 13400. ! 20 Torr RRKM
-!A1- + C2H2 = n-A1C2H2 9.90E+41 -9.26 15700. ! 90 Torr RRKM
- A1- + C2H2 = n-A1C2H2 7.00E+38 -8.02 16400. ! 760 Torr RRKM
-!A1- + C2H2 = n-A1C2H2 7.90E+29 -5.15 13700. ! 7600 Torr RRKM
-!
-!A1- + C2H2 = A1C2H + H 5.60E+24 -3.38 15200. ! 10 Torr RRKM
-!A1- + C2H2 = A1C2H + H 7.50E+26 -3.96 17100. ! 20 Torr RRKM
-!A1- + C2H2 = A1C2H + H 9.90E+30 -5.07 21100. ! 90 Torr RRKM
- A1- + C2H2 = A1C2H + H 3.30E+33 -5.70 25500. ! 760 Torr RRKM
-!A1- + C2H2 = A1C2H + H 2.50E+29 -4.43 26400. ! 7600 Torr RRKM
-!
-!A1C2H + H = n-A1C2H2 4.70E+54 -13.06 16778. ! 10 Torr RRKM
-!A1C2H + H = n-A1C2H2 1.00E+54 -12.76 17185. ! 20 Torr RRKM
-!A1C2H + H = n-A1C2H2 1.20E+51 -11.69 17280. ! 90 Torr RRKM
- A1C2H + H = n-A1C2H2 3.00E+43 -9.22 15272. ! 760 Torr RRKM
-!A1C2H + H = n-A1C2H2 1.60E+32 -5.72 11090. ! 7600 Torr RRKM
-!
-!A1C2H + H = i-A1C2H2 4.70E+54 -13.06 16778. ! 10 Torr RRKM
-!A1C2H + H = i-A1C2H2 1.00E+54 -12.76 17185. ! 20 Torr RRKM
-!A1C2H + H = i-A1C2H2 1.20E+51 -11.69 17280. ! 90 Torr RRKM
- A1C2H + H = i-A1C2H2 3.00E+43 -9.22 15272. ! 760 Torr RRKM
-!A1C2H + H = i-A1C2H2 1.60E+32 -5.72 11090. ! 7600 Torr RRKM
-!
- A1C2H + H = A1C2H* + H2 2.50E+14 0.0 16000. ! =A1+H
- A1C2H + H = A1C2H- + H2 2.50E+14 0.0 16000. ! =A1+H
- A1C2H + OH = A1C2H* + H2O 1.60E+08 1.42 1450.0 ! =A1+OH
- A1C2H + OH = A1C2H- + H2O 1.60E+08 1.42 1450.0 ! =A1+OH
-!
- A1C2H- + H (+M) = A1C2H (+M) 1.00E+14 0.00 0. ! = A1-+H
- LOW/ 6.6E+75 -16.30 7000. /
- TROE / 1.0 0.1 584.9 6113. /
- H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
-!
- A1C2H* + H (+M) = A1C2H (+M) 1.00E+14 0.00 0. ! = A1-+H
- LOW/ 6.6E+75 -16.30 7000. /
- TROE / 1.0 0.1 584.9 6113. /
- H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
-!
-! Formation and reactions of phenylvinyl and styrene
-!
- A1 + C2H3 = A1C2H3 + H 7.90E+11 0.0 6400. ! Stein
- A1- + C2H4 = A1C2H3 + H 2.51E+12 0.0 6190. ! Stein
-!
-!A1- + C2H3 = A1C2H3 1.90E+48 -10.52 17489. ! RRKM 20 Torr
-!A1- + C2H3 = A1C2H3 3.90E+38 -7.63 12868. ! RRKM 90 Torr
- A1- + C2H3 = A1C2H3 1.20E+27 -4.22 7235. ! RRKM 760 Torr
-!
-!A1- + C2H3 = i-A1C2H2 + H 1.80E+31 -4.63 31652. ! RRKM 20 Torr
-!A1- + C2H3 = i-A1C2H2 + H 5.80E+18 -1.00 26852. ! RRKM 90 Torr
- A1- + C2H3 = i-A1C2H2 + H 8.50E-02 4.71 18424. ! RRKM 760 Torr
-!
-!A1- + C2H3 = n-A1C2H2 + H 1.50E+32 -4.91 35504. ! RRKM 20 Torr
-!A1- + C2H3 = n-A1C2H2 + H 5.10E+20 -1.56 31412. ! RRKM 90 Torr
- A1- + C2H3 = n-A1C2H2 + H 9.40E+00 4.14 23234. ! RRKM 760 Torr
-!
-!A1C2H3 = i-A1C2H2 + H 1.20E+46 -9.07 118323. ! RRKM 20 Torr
-!A1C2H3 = i-A1C2H2 + H 3.80E+37 -6.55 114204. ! RRKM 90 Torr
- A1C2H3 = i-A1C2H2 + H 5.30E+27 -3.63 109332. ! RRKM 760 Torr
-!
-!A1C2H3 = n-A1C2H2 + H 1.90E+54 -11.39 130224. ! RRKM 20 Torr
-!A1C2H3 = n-A1C2H2 + H 1.30E+44 -8.36 125385. ! RRKM 90 Torr
- A1C2H3 = n-A1C2H2 + H 1.10E+32 -4.77 119483. ! RRKM 760 Torr
-!
- A1C2H3 + H = A1C2H3*+ H2 2.50E+14 0.0 16000.
- A1C2H3 + OH = A1C2H3* + H2O 1.60E+08 1.42 1450.
- A1C2H3* + H (+M) = A1C2H3 (+M) 1.00E+14 0.00 0. ! = A1-+H
- LOW/ 6.6E+75 -16.30 7000. /
- TROE / 1.0 0.1 584.9 6113. /
- H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
-!
- A1C2H3 + H = n-A1C2H2 + H2 6.65E+06 2.53 12240.0
- A1C2H3 + H = i-A1C2H2 + H2 3.33E+05 2.53 9240.0
- A1C2H3 + OH = n-A1C2H2 + H2O 3.10E+06 2.0 3430.0
- A1C2H3 + OH = i-A1C2H2 + H2O 1.55E+06 2.0 430.0
-!
- n-A1C2H2 + H = A1C2H + H2 1.50E+13 0.0 0.
- i-A1C2H2 + H = A1C2H + H2 3.00E+13 0.0 0.
-!
-!n-A1C2H2 + H = i-A1C2H2 + H 2.30E+37 -6.00 35164. ! RRKM 20 Torr
-!n-A1C2H2 + H = i-A1C2H2 + H 1.20E+25 -2.42 30530. ! RRKM 90 Torr
- n-A1C2H2 + H = i-A1C2H2 + H 9.90E+04 3.37 22040. ! RRKM 760 Torr
-!
- n-A1C2H2 + OH = A1C2H + H2O 2.50E+12 0.0 0.
- i-A1C2H2 + OH = A1C2H + H2O 5.00E+12 0.0 0.
-!
-! Formation and reactions of A2
-!
-!A1C2H* + C2H2 = A2-1 7.50E+74 -18.83 34200. ! 10 Torr RRKM
-!A1C2H* + C2H2 = A2-1 5.20E+72 -18.11 33900. ! 20 Torr RRKM
-!A1C2H* + C2H2 = A2-1 2.00E+72 -17.74 36600. ! 90 Torr RRKM
- A1C2H* + C2H2 = A2-1 1.10E+62 -14.56 33100. ! 760 Torr RRKM
-!A1C2H* + C2H2 = A2-1 5.10E+48 -10.53 28000. ! 7600 Torr RRKM
-!
-!A1C2H* + C2H2 = A1C2H)2 + H 1.10E+29 -4.44 24300. ! 10 Torr RRKM
-!A1C2H* + C2H2 = A1C2H)2 + H 5.50E+32 -5.46 27600. ! 20 Torr RRKM
-!A1C2H* + C2H2 = A1C2H)2 + H 4.80E+29 -4.59 26000. ! 90 Torr RRKM
- A1C2H* + C2H2 = A1C2H)2 + H 1.80E+19 -1.67 18800. ! 760 Torr RRKM
-!A1C2H* + C2H2 = A1C2H)2 + H 2.10E+10 0.85 13700. ! 7600 Torr RRKM
-!
-!A1C2H* + C2H2= naphthyne + H 7.90E+57 -12.78 43200. ! 10 Torr RRKM
-!A1C2H* + C2H2= naphthyne + H 2.30E+58 -12.87 44600. ! 20 Torr RRKM
-!A1C2H* + C2H2= naphthyne + H 5.20E+64 -14.54 52200. ! 90 Torr RRKM
- A1C2H* + C2H2= naphthyne + H 5.70E+64 -14.41 57000. ! 760 Torr RRKM
-!A1C2H* + C2H2= naphthyne + H 4.40E+56 -12.00 57100. ! 7600 Torr RRKM
-!
-!A1C2H)2 + H = A2-1 9.50E+84 -21.09 37600. ! 10 Torr RRKM
-!A1C2H)2 + H = A2-1 2.00E+82 -20.23 36900. ! 20 Torr RRKM
-!A1C2H)2 + H = A2-1 2.00E+75 -18.06 34500. ! 90 Torr RRKM
- A1C2H)2 + H = A2-1 6.90E+63 -14.57 29900. ! 760 Torr RRKM
-!A1C2H)2 + H = A2-1 1.50E+51 -10.77 25500. ! 7600 Torr RRKM
-!
-!A1C2H)2 + H = naphthyne + H 2.00E+69 -15.48 48400. ! 10 Torr RRKM
-!A1C2H)2 + H = naphthyne + H 3.90E+74 -16.91 53700. ! 20 Torr RRKM
-!A1C2H)2 + H = naphthyne + H 2.70E+76 -17.32 58200. ! 90 Torr RRKM
- A1C2H)2 + H = naphthyne + H 1.90E+73 -16.30 60900. ! 760 Torr RRKM
-!A1C2H)2 + H = naphthyne + H 9.60E+62 -13.29 59500. ! 7600 Torr RRKM
-!
-!naphthyne + H = A2-1 3.70E+67 -17.51 38000. ! 10 Torr RRKM
-!naphthyne + H = A2-1 3.30E+65 -16.79 37400. ! 20 Torr RRKM
-!naphthyne + H = A2-1 5.90E+61 -15.42 36500. ! 90 Torr RRKM
- naphthyne + H = A2-1 4.90E+52 -12.43 33000. ! 760 Torr RRKM
-!naphthyne + H = A2-1 2.00E+43 -9.35 30700. ! 7600 Torr RRKM
-!
- A1C2H + C2H = A1C2H)2 + H 5.00E+13 0.0 0. ! Estimated
-!
-!A1C2H3*+ C2H2 = A2 + H 2.10E+15 -1.07 6000. ! 10 Torr (n-C4H5+C2H2, +1.2 kcal/mol)
-!A1C2H3*+ C2H2 = A2 + H 2.10E+15 -1.07 6000. ! 20 Torr
-!A1C2H3*+ C2H2 = A2 + H 2.10E+15 -1.07 6000. ! 90 Torr
- A1C2H3*+ C2H2 = A2 + H 1.60E+16 -1.33 6600. ! 760 Torr
-!A1C2H3*+ C2H2 = A2 + H 1.60E+18 -1.88 8600. ! 7600 Torr
-!
-!n-A1C2H2 + C2H2 = A2 + H 2.10E+15 -1.07 4800. ! 10 Torr (n-C4H5 + C2H2)
-!n-A1C2H2 + C2H2 = A2 + H 2.10E+15 -1.07 4800. ! 20 Torr
-!n-A1C2H2 + C2H2 = A2 + H 2.10E+15 -1.07 4800. ! 90 Torr
- n-A1C2H2 + C2H2 = A2 + H 1.60E+16 -1.33 5400. ! 760 Torr
-!n-A1C2H2 + C2H2 = A2 + H 1.60E+18 -1.88 7400. ! 7600 Torr
-!
- A2 + H = A2-1 + H2 2.50E+14 0.0 16000.
- A2 + H = A2-2 + H2 2.50E+14 0.0 16000.
- A2 + OH = A2-1 + H2O 1.60E+08 1.42 1450.0
- A2 + OH = A2-2 + H2O 1.60E+08 1.42 1450.0
-!
- A2-1 + H (+M) = A2 (+M) 1.00E+14 0.0 0.0 ! RRKM
- LOW / 3.80E+127 -31.434 18676.0 /
- TROE / 0.200 122.8 478.4 5411.9 /
- H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
- A2-2 + H (+M) = A2 (+M) 1.00E+14 0.0 0.0 ! RRKM
- LOW / 9.50E+129 -32.132 18782.0 /
- TROE / 0.870 492.7 117.9 5652.0 /
- H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
-!A2-1 + H = A2-2 + H 8.80E+58 -11.68 60974.0 ! 20 Torr RRKM
-!A2-1 + H = A2-2 + H 6.50E+45 -7.90 55488.0 ! 90 Torr RRKM
- A2-1 + H = A2-2 + H 2.40E+24 -1.81 45281.0 ! 760 Torr RRKM
-!
-! Formation and reactions of A2C2H
-!
-! A2C2HA 1-ethynylnaphthalene
-! A2C2HB 2-ethynylnaphthalene
-!
- A2 + C2H = A2C2HA + H 5.00E+13 0.0 0. ! Estimated
- A2 + C2H = A2C2HB + H 5.00E+13 0.0 0. ! Estimated
-!
-!A2-1 + C2H2 = A2C2H2 3.80E+37 -8.23 12600. ! 10 Torr RRKM
-!A2-1 + C2H2 = A2C2H2 4.50E+39 -8.71 14300. ! 20 Torr RRKM
-!A2-1 + C2H2 = A2C2H2 3.40E+43 -9.56 18200. ! 90 Torr RRKM
- A2-1 + C2H2 = A2C2H2 1.70E+43 -9.12 21100. ! 760 Torr RRKM
-!A2-1 + C2H2 = A2C2H2 2.00E+28 -4.59 14400. ! 7600 Torr RRKM
-!
-!A2-1 + C2H2 = A2C2HA + H 1.20E+21 -2.35 16300. ! 10 Torr RRKM
-!A2-1 + C2H2 = A2C2HA + H 1.40E+22 -2.64 17400. ! 20 Torr RRKM
-!A2-1 + C2H2 = A2C2HA + H 9.10E+24 -3.39 20400. ! 90 Torr RRKM
- A2-1 + C2H2 = A2C2HA + H 1.30E+24 -3.06 22600. ! 760 Torr RRKM
-!A2-1 + C2H2 = A2C2HA + H 1.60E+14 -0.19 20000. ! 7600 Torr RRKM
-!
-!A2C2HA + H = A2C2H2 1.80E+48 -11.17 14200. ! 10 Torr RRKM
-!A2C2HA + H = A2C2H2 1.90E+50 -11.63 16200. ! 20 Torr RRKM
-!A2C2HA + H = A2C2H2 3.30E+51 -11.72 18900. ! 90 Torr RRKM
- A2C2HA + H = A2C2H2 5.90E+46 -10.03 19100. ! 760 Torr RRKM
-!A2C2HA + H = A2C2H2 1.70E+30 -5.07 11200. ! 7600 Torr RRKM
-!
- A2C2H2 + H = A2C2HA + H2 1.50E+13 0.0 0. ! Estimated
- A2C2H2 + OH = A2C2HA + H2O 2.50E+12 0.0 0. ! Estimated
-!
- A2C2HA + H = A2C2HA* + H2 2.50E+14 0.0 16000.
- A2C2HB + H = A2C2HB* + H2 2.50E+14 0.0 16000.
- A2C2HA + OH = A2C2HA* + H2O 1.60E+08 1.42 1450.
- A2C2HB + OH = A2C2HB* + H2O 1.60E+08 1.42 1450.
-!
- A2C2HB* + H (+M) = A2C2HB (+M) 1.00E+14 0.0 0.0
- LOW / 3.80E+127 -31.434 18676.0 /
- TROE / 0.200 122.8 478.4 5411.9 /
- H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
- A2C2HA* + H (+M) = A2C2HA (+M) 1.00E+14 0.0 0.0
- LOW / 9.50E+129 -32.132 18782.0 /
- TROE / 0.870 492.7 117.9 5652.0 /
- H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
-!
-! Formation and reactions of A3
-!
-!A2C2HB* + C2H2 = A3-1 7.50E+74 -18.83 34200. ! 10 Torr RRKM
-!A2C2HB* + C2H2 = A3-1 5.20E+72 -18.11 33900. ! 20 Torr RRKM
-!A2C2HB* + C2H2 = A3-1 2.00E+72 -17.74 36600. ! 90 Torr RRKM
- A2C2HB* + C2H2 = A3-1 1.10E+62 -14.56 33100. ! 760 Torr RRKM
-!A2C2HB* + C2H2 = A3-1 5.10E+48 -10.53 28000. ! 7600 Torr RRKM
-!
-!A2C2HB* + C2H2 = A2C2H)2 + H 1.10E+29 -4.44 24300. ! 10 Torr RRKM
-!A2C2HB* + C2H2 = A2C2H)2 + H 5.50E+32 -5.46 27600. ! 20 Torr RRKM
-!A2C2HB* + C2H2 = A2C2H)2 + H 4.80E+29 -4.59 26000. ! 90 Torr RRKM
- A2C2HB* + C2H2 = A2C2H)2 + H 1.80E+19 -1.67 18800. ! 760 Torr RRKM
-!A2C2HB* + C2H2 = A2C2H)2 + H 2.10E+10 0.85 13700. ! 7600 Torr RRKM
-!
-!A2C2H)2 + H = A3-1 9.50E+84 -21.09 37600. ! 10 Torr RRKM
-!A2C2H)2 + H = A3-1 2.00E+82 -20.23 36900. ! 20 Torr RRKM
-!A2C2H)2 + H = A3-1 2.00E+75 -18.06 34500. ! 90 Torr RRKM
- A2C2H)2 + H = A3-1 6.90E+63 -14.57 29900. ! 760 Torr RRKM
-!A2C2H)2 + H = A3-1 1.50E+51 -10.77 25500. ! 7600 Torr RRKM
-!
-!A2C2HA* + C2H2 = A3-4 7.50E+74 -18.83 34200. ! 10 Torr RRKM
-!A2C2HA* + C2H2 = A3-4 5.20E+72 -18.11 33900. ! 20 Torr RRKM
-!A2C2HA* + C2H2 = A3-4 2.00E+72 -17.74 36600. ! 90 Torr RRKM
- A2C2HA* + C2H2 = A3-4 1.10E+62 -14.56 33100. ! 760 Torr RRKM
-!A2C2HA* + C2H2 = A3-4 5.10E+48 -10.53 28000. ! 7600 Torr RRKM
-!
-!A2C2HA* + C2H2 = A2C2H)2 + H 1.10E+29 -4.44 24300. ! 10 Torr RRKM
-!A2C2HA* + C2H2 = A2C2H)2 + H 5.50E+32 -5.46 27600. ! 20 Torr RRKM
-!A2C2HA* + C2H2 = A2C2H)2 + H 4.80E+29 -4.59 26000. ! 90 Torr RRKM
- A2C2HA* + C2H2 = A2C2H)2 + H 1.80E+19 -1.67 18800. ! 760 Torr RRKM
-!A2C2HA* + C2H2 = A2C2H)2 + H 2.10E+10 0.85 13700. ! 7600 Torr RRKM
-!
-!A2C2H)2 + H = A3-4 9.50E+84 -21.09 37600. ! 10 Torr RRKM
-!A2C2H)2 + H = A3-4 2.00E+82 -20.23 36900. ! 20 Torr RRKM
-!A2C2H)2 + H = A3-4 2.00E+75 -18.06 34500. ! 90 Torr RRKM
- A2C2H)2 + H = A3-4 6.90E+63 -14.57 29900. ! 760 Torr RRKM
-!A2C2H)2 + H = A3-4 1.50E+51 -10.77 25500. ! 7600 Torr RRKM
-!
- A2C2HA + C2H = A2C2H)2 + H 5.00E+13 0.0 0. ! Estimated
- A2C2HB + C2H = A2C2H)2 + H 5.00E+13 0.0 0. ! Estimated
-!
- A3 + H = A3-1 + H2 2.50E+14 0.0 16000.
- A3 + H = A3-4 + H2 2.50E+14 0.0 16000.
- A3 + OH = A3-1 + H2O 1.60E+08 1.42 1450.
- A3 + OH = A3-4 + H2O 1.60E+08 1.42 1450.
-!
- A3-1 + H (+M) = A3 (+M) 1.00E+14 0.0 0.
- LOW / 4.0E+148 -37.505 20551.0 /
- TROE / 1.000 536.3 144.9 5632.8 /
- H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
- A3-4 + H (+M) = A3 (+M) 1.00E+14 0.0 0.0
- LOW /2.1E+139 -34.803 18378.0 /
- TROE / 0.001 171.4 171.4 4992.8 /
- H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
-!A3-1 + H = A3-4 + H 1.70E+72 -15.215 77175.0 ! 20 Torr
-!A3-1 + H = A3-4 + H 9.30E+58 -11.447 71113.0 ! 90 Torr
- A3-1 + H = A3-4 + H 3.80E+40 -6.309 61782.0 ! 760 Torr
-!
-! Formation and reactions of A4
-!
- A3 + C2H = A3C2H + H 5.00E+13 0.00 0. ! Estimated
-!
-!A3-4 + C2H2 = A3C2H2 8.10E+44 -10.38 20600. ! 10 Torr RRKM
-!A3-4 + C2H2 = A3C2H2 6.70E+45 -10.55 21200. ! 20 Torr RRKM
-!A3-4 + C2H2 = A3C2H2 6.50E+53 -12.59 26900. ! 90 Torr RRKM
- A3-4 + C2H2 = A3C2H2 8.00E+61 -14.50 34800. ! 760 Torr RRKM
-!A3-4 + C2H2 = A3C2H2 5.60E+50 -10.96 31300. ! 7600 Torr RRKM
-!
-!A3-4 + C2H2 = A3C2H + H 3.80E+17 -1.12 22300. ! 10 Torr RRKM
-!A3-4 + C2H2 = A3C2H + H 8.00E+17 -1.21 22600. ! 20 Torr RRKM
-!A3-4 + C2H2 = A3C2H + H 3.40E+12 0.34 19700. ! 90 Torr RRKM
- A3-4 + C2H2 = A3C2H + H 1.20E+26 -3.44 30200. ! 760 Torr RRKM
-!A3-4 + C2H2 = A3C2H + H 7.30E+26 -3.52 35100. ! 7600 Torr RRKM
-!
-!A3-4 + C2H2 = A4 + H 3.60E+22 -2.91 13600. ! 10 Torr RRKM
-!A3-4 + C2H2 = A4 + H 4.00E+23 -3.20 14400. ! 20 Torr RRKM
-!A3-4 + C2H2 = A4 + H 8.90E+24 -3.56 15900. ! 90 Torr RRKM
- A3-4 + C2H2 = A4 + H 3.30E+24 -3.36 17800. ! 760 Torr RRKM
-!A3-4 + C2H2 = A4 + H 5.70E+25 -3.60 22700. ! 7600 Torr RRKM
-!
-!A3C2H + H = A3C2H2 4.90E+37 -8.29 8400. ! 10 Torr RRKM
-!A3C2H + H = A3C2H2 5.20E+47 -11.05 14700. ! 20 Torr RRKM
-!A3C2H + H = A3C2H2 1.40E+56 -13.21 21000. ! 90 Torr RRKM
- A3C2H + H = A3C2H2 1.90E+64 -15.12 29300. ! 760 Torr RRKM
-!A3C2H + H = A3C2H2 4.50E+51 -11.16 24900. ! 7600 Torr RRKM
-!
-!A3C2H + H = A4 + H 6.50E+25 -3.79 8700. ! 10 Torr RRKM
-!A3C2H + H = A4 + H 6.80E+26 -4.07 9500. ! 20 Torr RRKM
-!A3C2H + H = A4 + H 4.20E+27 -4.25 10900. ! 90 Torr RRKM
- A3C2H + H = A4 + H 9.00E+38 -7.39 20700. ! 760 Torr RRKM
-!A3C2H + H = A4 + H 5.20E+27 -4.08 17700. ! 7600 Torr RRKM
-!
-!A3C2H2 = A4 + H 7.90E+46 -11.42 26400. ! 10 Torr RRKM
-!A3C2H2 = A4 + H 7.30E+48 -11.86 28100. ! 20 Torr RRKM
-!A3C2H2 = A4 + H 6.30E+59 -14.70 36900. ! 90 Torr RRKM
- A3C2H2 = A4 + H 2.00E+63 -15.28 43200. ! 760 Torr RRKM
-!A3C2H2 = A4 + H 2.50E+33 -6.48 26800. ! 7600 Torr RRKM
-!
- A4 + H = A4- + H2 2.50E+14 0.0 16000.
- A4 + OH = A4- + H2O 1.60E+08 1.42 1450.
- A4- + H = A4 1.00E+14 0.0 0.
-!
-! Formation and reactions of biphenyl
-!
-!A1 + A1- = P2 + H 5.60E+12 -0.074 7550.0 ! 20 Torr RRKM
-!A1 + A1- = P2 + H 1.50E+14 -0.45 8915.0 ! 90 Torr RRKM
- A1 + A1- = P2 + H 1.10E+23 -2.92 15890.0 ! 760 Torr RRKM
-!
-!A1 + A1- = P2-H 8.10E+36 -8.62 9125.0 ! 20 Torr RRKM
-!A1 + A1- = P2-H 2.20E+36 -8.21 9920.0 ! 90 Torr RRKM
- A1 + A1- = P2-H 3.70E+32 -6.74 9870.0 ! 760 Torr RRKM
-!
-!P2-H = P2 + H 6.10E+42 -10.09 27460.0 ! 20 Torr RRKM
-!P2 + H = P2-H 2.40E+40 -9.06 11570.0 ! 90 Torr RRKM
- P2-H = P2 + H 3.80E+37 -7.96 27880.0 ! 760 Torr RRKM
-!
-!A1- + A1- = P2 3.80E+31 -5.75 7950.0 ! 20 Torr RRKM
-!A1- + A1- = P2 6.10E+25 -4.00 5590.0 ! 90 Torr RRKM
- A1- + A1- = P2 2.00E+19 -2.05 2900.0 ! 760 Torr RRKM
-!
-!A1- + A1- = P2- + H 7.00E+23 -2.33 38540.0 ! 20 Torr RRKM
-!A1- + A1- = P2- + H 8.60E+13 0.50 34820.0 ! 90 Torr RRKM
- A1- + A1- = P2- + H 2.30E-01 4.62 28950.0 ! 760 Torr RRKM
-!
-!P2 = P2- + H 9.00E+37 -6.63 119580.0 ! 20 Torr RRKM
-!P2 = P2- + H 8.10E+31 -4.79 117120.0 ! 90 Torr RRKM
- P2 = P2- + H 1.10E+25 -2.72 114270.0 ! 760 Torr RRKM
-!
- P2 + H = P2- + H2 2.50E+14 0.0 16000.
- P2 + OH = P2- + H2O 1.60E+08 1.42 1450.
-!
- P2- + C2H2 = A3 + H 4.60E+06 1.97 7300.0 ! A3-+C2H2, kinf
-!
-! Benzene oxidation
-!
- A1 + O = C6H5O + H 2.20E+13 0.0 4530.0 ! CEC
- A1 + OH = C6H5OH + H 1.30E+13 0.0 10600.0 ! CEC
- A1- + O2 = C6H5O + O 2.10E+12 0.0 7470.0 ! LIN
-!A1- + O2 = C6H5O + O 2.70E+12 0.35 5970.0 ! Sum of two channels, Just
-!
- C6H5O = CO + C5H5 2.50E+11 0.0 43900.0 ! LIN
- C6H5O + H = CO + C5H6 3.00E+13 0.0 0.0 ! Est.
- C6H5O + O = HCO + 2C2H2 + CO 3.00E+13 0.0 0.0 ! Est.
- C6H5O + H (+M) = C6H5OH (+M) 2.5E+14 0.0 0.0
- LOW / 1.00E+94 -21.84 13880.0 /
- TROE / 0.043 304.2 60000. 5896.4 /
- H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
-!
- C6H5OH + H = C6H5O + H2 1.15E+14 0.0 12400.0 ! LIN
- C6H5OH + O = C6H5O + OH 2.80E+13 0.0 7352.0 ! Brezinski
- C6H5OH + OH = C6H5O + H2O 6.00E+12 0.0 0.0 ! LIN
-!
- C5H5 + H (+M) = C5H6 (+M) 1.00E+14 0.0 0.0 ! RRKM
- LOW / 4.4E+80 -18.28 12994.0 /
- TROE / 0.068 400.7 4135.8 5501.9 /
- H2/2.0/ H2O/6.0/ CH4/2.0/ CO/1.5/ CO2/2.0/ C2H6/3.0/
-!
- C5H5 + O = n-C4H5 + CO 1.00E+14 0.0 0.0 ! Brezinsky
- C5H5 + OH = C5H4OH + H 5.00E+12 0.0 0.0 ! Est.
- C5H5 + HO2 = C5H5O + OH 3.00E+13 0.0 0.0 ! Brezinsky
-!
- C5H6 + H = C5H5 + H2 2.20E+08 1.77 3000.0 ! Brezinsky
- C5H6 + O = C5H5 + OH 1.80E+13 0.0 3080.0 ! Brezinsky
- C5H6 + OH = C5H5 + H2O 3.43E+09 1.18 -447.0 ! Brezinsky
-!
- C5H5O = n-C4H5 + CO 2.50E+11 0.0 43900.0 ! Brezinsky
- C5H5O + H = CH2O + 2C2H2 3.00E+13 0.0 0.0 ! Est.
- C5H5O + O = CO2 + n-C4H5 3.00E+13 0.0 0.0 ! Est.
-!
- C5H4OH = C5H4O + H 2.10E+13 0.0 48000.0 ! Brezinsky
- C5H4OH + H = CH2O + 2C2H2 3.00E+13 0.0 0.0 ! Est.
- C5H4OH + O = CO2 + n-C4H5 3.00E+13 0.0 0.0 ! Est.
-!
- C5H4O = CO + C2H2 + C2H2 1.00E+15 0.0 78000.0 ! Brezinsky
- C5H4O + O = CO2 + 2C2H2 3.00E+13 0.0 0.0 ! Est
-!
-! Higher PAH oxidation by OH
-!
- A1C2H + OH => A1- + CH2CO 2.18E-04 4.5 -1000.0 ! =C2H2+OH
- A1C2H)2 + OH => A1C2H- + CH2CO 2.18E-04 4.5 -1000.0 ! =C2H2+OH
- A2C2HA + OH => A2-1 + CH2CO 2.18E-04 4.5 -1000.0 ! =C2H2+OH
- A2C2HB + OH => A2-2 + CH2CO 2.18E-04 4.5 -1000.0 ! =C2H2+OH
- A3C2H + OH => A3-4 + CH2CO 2.18E-04 4.5 -1000.0 ! =C2H2+OH
-!
- A1C2H + OH => C6H5O + C2H2 1.30E+13 0.0 10600.0 ! CEC
- A1C2H3 + OH => C6H5O + C2H4 1.30E+13 0.0 10600.0 ! CEC
- A1C2H)2 + OH => C4H2 + C6H5O 1.30E+13 0.0 10600.0 ! CEC
- A2 + OH => A1C2H + CH2CO + H 1.30E+13 0.0 10600.0 ! CEC
- A2C2HA + OH => A1C2H + H2C4O + H 1.30E+13 0.0 10600.0 ! CEC
- A2C2HB + OH => A1C2H + H2C4O + H 1.30E+13 0.0 10600.0 ! CEC
- A3 + OH => A2C2HB + CH2CO + H 6.50E+12 0.0 10600.0 ! CEC
- A3 + OH => A2C2HA + CH2CO + H 6.50E+12 0.0 10600.0 ! CEC
- A3C2H + OH => A2C2HA + H2C4O + H 6.50E+12 0.0 10600.0 ! CEC
- A3C2H + OH => A2C2HB + H2C4O + H 6.50E+12 0.0 10600.0 ! CEC
- A4 + OH => A3-4 + CH2CO 1.30E+13 0.0 10600.0 ! CEC
-!
-! Higher PAH oxidation by O
-!
- A1C2H + O => HCCO + A1- 2.04E+07 2.0 1900.0 ! =C2H2+O
- A1C2H)2 + O => HCCO + A1C2H- 2.04E+07 2.0 1900.0 ! =C2H2+O
- A1C2H3 + O => A1- + CH3 + CO 1.92E+07 1.83 220.0 ! =C2H4+O
- A2C2HA + O => HCCO + A2-1 2.04E+07 2.0 1900.0 ! =C2H2+O
- A2C2HB + O => HCCO + A2-2 2.04E+07 2.0 1900.0 ! =C2H2+O
-!
- A1C2H + O => C2H + C6H5O 2.20E+13 0.0 4530.0 ! =A1 + O
- A1C2H3 + O => C2H3 + C6H5O 2.20E+13 0.0 4530.0 ! =A1 + O
- A1C2H)2 + O => C6H5O + C4H 2.20E+13 0.0 4530.0 ! =A1 + O
- A2 + O => CH2CO + A1C2H 2.20E+13 0.0 4530.0 ! =A1 + O
- A2C2HA + O => A1C2H)2 + CH2CO 2.20E+13 0.0 4530.0 ! =A1 + O
- A2C2HB + O => A1C2H)2 + CH2CO 2.20E+13 0.0 4530.0 ! =A1 + O
- A3 + O => A2C2HA + CH2CO 1.10E+13 0.0 4530.0 ! =A1 + O / 2
- A3 + O => A2C2HB + CH2CO 1.10E+13 0.0 4530.0 ! =A1 + O / 2
- A3C2H + O => A2C2HA + H2C4O 1.10E+13 0.0 4530.0 ! =A1 + O / 2
- A3C2H + O => A2C2HB + H2C4O 1.10E+13 0.0 4530.0 ! =A1 + O / 2
- A4 + O => A3-4 + HCCO 2.20E+13 0.0 4530.0 ! =A1 + O
-!
-! Higher PAH oxidation by O2
-!
- A1C2H* + O2 => l-C6H4 + CO + HCO 2.10E+12 0.0 7470.0 ! = A1- + O2
- A1C2H- + O2 => l-C6H4 + CO + HCO 2.10E+12 0.0 7470.0 ! = A1- + O2
- A1C2H3* + O2 => l-C6H6 + CO + HCO 2.10E+12 0.0 7470.0 ! = A1- + O2
- n-A1C2H2 + O2 => A1- + CO + CH2O 1.00E+11 0.0 0.0 ! Estimated
- A2-1 + O2 => A1C2H + HCO + CO 2.10E+12 0.0 7470.0 ! = A1- + O2
- A2-2 + O2 => A1C2H + HCO + CO 2.10E+12 0.0 7470.0 ! = A1- + O2
- A2C2HA* + O2 => A2-1 + CO + CO 2.10E+12 0.0 7470.0 ! = A1- + O2
- A2C2HB* + O2 => A2-2 + CO + CO 2.10E+12 0.0 7470.0 ! = A1- + O2
- A3-4 + O2 => A2C2HB + HCO + CO 2.10E+12 0.0 7470.0 ! = A1- + O2
- A3-1 + O2 => A2C2HA + HCO + CO 2.10E+12 0.0 7470.0 ! = A1- + O2
- A4- + O2 => A3-4 + CO + CO 2.10E+12 0.0 7470.0 ! = A1- + O2
-! soot formation
- A4=16C(S)+5H2 2.00E+10 0.0 0.0 ! TDK
-END
diff --git a/applications/test/readCHEMKINIII/CHEMKINdata/chem.inp_c7h8 b/applications/test/readCHEMKINIII/CHEMKINdata/chem.inp_c7h8
deleted file mode 100644
index c75da43..0000000
--- a/applications/test/readCHEMKINIII/CHEMKINdata/chem.inp_c7h8
+++ /dev/null
@@ -1,919 +0,0 @@
-ELEMENTS
- H O C N AR
-END
-SPECIE
-C6H5CH3 C7H8O C7H7 C7H7O
-C7H7OH C6H5CHO C6H5CO
-C12H10 C6H6 C6H5OH C6H5O C6H5
-C5H6 C5H5O C5H4OH C5H5 C5H4O C4H6
-CH2CHCHCH C4H4 H2CCCCH C4H2 C3H4 H2CCCH
-C3H2 C2H4 C2H3 C2H2 CH2CO C2H
-HCCO CH4 CH3O CH3 CH2O CH2 CH2(3)
-CH CO2 CO H2O H2 H2O2
-HCO HO2 H OH O2 O
-C6H5(L) C6H4OH C6H4 C6H2 C6H C5H3
-C5H2 CH2CHCCH2 HCCHCCH C4H H2C4O C3H6
-C3H5 C3H4P C2H6 C2H5 HCCOH C2O
-CH3OH CH2OH C C2
-C6H3 C8H6 C8H8 C8H10 C10H7 C10H8
-AR N2
-END
-THERMO ALL
- 300.000 1000.000 5000.000
-C6H5CH3 L 6/87C 7H 8 0 0G 200.000 6000.000 1
- 0.12940034E+02 0.26691287E-01-0.96838505E-05 0.15738629E-08-0.94663601E-13 2
--0.69764908E+03-0.46728785E+02 0.16152663E+01 0.21099438E-01 0.85366018E-04 3
--0.13261066E-06 0.55956604E-10 0.40756300E+04 0.20282210E+02 4
-C7H8O CRESOL L 6/87C 7H 8O 1 0G 200.000 6000.000 1
- 0.15932987E+02 0.27011160E-01-0.99448722E-05 0.16296689E-08-0.98513298E-13 2
--0.23592065E+05-0.59732841E+02 0.42258267E+00 0.45551636E-01 0.32012513E-04 3
--0.81121959E-07 0.37665658E-10-0.18202621E+05 0.26032903E+02 4
-C6H5CHO L 3/86C 7H 6O 1 0G 298.150 5000.000 1
- 0.13650737E+02 0.25680419E-01-0.10466729E-04 0.19413430E-08-0.13483792E-12 2
--0.11019744E+05-0.47965796E+02-0.31627334E+01 0.66369245E-01-0.34816353E-04 3
--0.62999377E-08 0.85807101E-11-0.61169349E+04 0.40231735E+02 4
-C6H5CO therm C 7H 5O 1 0G 300.000 5000.000 1392.000 1
- 1.75116258e+01 1.62650511e-02-5.65051892e-06 8.86922680e-10-5.18657990e-14 2
- 4.67641545e+03-6.70531966e+01-1.56729686e+00 5.99817511e-02-4.29153585e-05 3
- 1.48666854e-08-1.98938453e-12 1.12873830e+04 3.55490009e+01 4
-C6H4 BurcatC 6H 4 0 0G 300.000 5000.000 1420.000 1
- 1.61320877E+01 9.41620382E-03-3.11126898E-06 4.72171941E-10-2.69719153E-14 2
- 5.66472138E+04-5.91590247E+01-3.97720368E-01 5.75565537E-02-5.66835885E-05 3
- 2.72075244E-08-5.03385170E-12 6.13213019E+04 2.60457753E+01 4
-CH2 BurcatC 1H 2 0 0G 200.000 6000.000 1
- 0.03552888E+02 0.02066788E-01-0.01914116E-05-0.11046733E-09 0.02021349E-12 2
- 0.04984975E+06 0.01686570E+02 0.03971265E+02-0.01699088E-02 0.10253689E-05 3
- 0.02492550E-07-0.01981266E-10 0.04989367E+06 0.05753207E+00 4
-CH2(3) BurcatC 1H 2 0 0G 200.000 6000.000 1
- 0.25387122E+01 0.38225491E-02-0.12861304E-05 0.19800308E-09-0.11465743E-13 2
- 0.46129253E+05 0.81054648E+01 0.41793655E+01-0.22178553E-02 0.79653602E-05 3
--0.69127339E-08 0.22475318E-11 0.45750857E+05-0.76113703E-02 4
-C3H4P BurcatH 4C 3 0 0G 300.000 5000.000 1399.000 1
- 7.42833795E+00 9.44170622E-03-3.17278962E-06 4.86601152E-10-2.79868438E-14 2
- 1.88799773E+04-1.68291009E+01 1.75329557E+00 2.24124129E-02-1.45664551E-05 3
- 5.08221854E-09-7.47083130E-13 2.08950138E+04 1.37761621E+01 4
-C3H4 BurcatC 3H 4 0 0G 300.000 5000.000 1401.000 1
- 7.73985546E+00 9.20561227E-03-3.09859442E-06 4.75848854E-10-2.73966525E-14 2
- 1.93588295E+04-1.93523527E+01 8.39838965E-01 2.58649489E-02-1.86527566E-05 3
- 7.14802816E-09-1.13254013E-12 2.17003608E+04 1.75115041E+01 4
-C12H9 O-BIPHENYL84C 12.H 9. 0. 0.G 300.000 5000.000 1000.000 1
- 0.23851303E 02 0.31960227E-01-0.11076719E-04 0.16847825E-08-0.92641173E-13 2
- 0.40171297E 05-0.10270549E 03-0.31376228E 01 0.82217276E-01-0.40171444E-05 3
--0.60809782E-07 0.32074482E-10 0.48868754E 05 0.42730362E 02 0.51444448E 05 4
-BIPHENYL L12/84C 12H 10 0 0G 300.000 5000.000 1398.000 1
- 3.03543436E+01 2.79259296E-02-9.52722170E-06 1.47907724E-09-8.58879412E-14 2
- 6.80038924E+03-1.44507270E+02-9.07687754E+00 1.22663820E-01-9.48186712E-05 3
- 3.55586680E-08-5.17329758E-12 1.99164369E+04 6.58085250E+01 4
-C12H10 BurcatC 12H 10 0 0G 300.000 5000.000 1398.000 1
- 3.03543436E+01 2.79259296E-02-9.52722170E-06 1.47907724E-09-8.58879412E-14 2
- 6.80038924E+03-1.44507270E+02-9.07687754E+00 1.22663820E-01-9.48186712E-05 3
- 3.55586680E-08-5.17329758E-12 1.99164369E+04 6.58085250E+01 4
-AR Kee186AR 1 G 0300.00 5000.00 1000.00 1
- 0.02500000E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2
--0.07453750E+04 0.04366000E+02 0.02500000E+02 0.00000000E+00 0.00000000E+00 3
- 0.00000000E+00 0.00000000E+00-0.07453750E+04 0.04366000E+02 4
-C Kee086C 1 G 0300.00 5000.00 1000.00 1
- 0.02602087E+02-0.01787081E-02 0.09087041E-06-0.11499333E-10 0.03310844E-14 2
- 0.08542154E+06 0.04195177E+02 0.02498584E+02 0.08085776E-03-0.02697697E-05 3
- 0.03040729E-08-0.11066518E-12 0.08545878E+06 0.04753459E+02 4
-CH4 Kee286C 1H 4 G 0300.00 5000.00 1000.00 1
- 0.01683478E+02 0.10237236E-01-0.03875128E-04 0.06785585E-08-0.04503423E-12 2
--0.10080787E+05 0.09623395E+02 0.07787415E+01 0.01747668E+00-0.02783409E-03 3
- 0.03049708E-06-0.12239307E-10-0.09825229E+05 0.13722195E+02 4
-C2 Kee286C 2 G 0300.00 5000.00 1000.00 1
- 0.04135978E+02 0.06531618E-03 0.01837099E-05-0.05295085E-09 0.04712137E-13 2
- 0.09967272E+06 0.07472923E+01 0.06996045E+02-0.07400601E-01 0.03234703E-04 3
- 0.04802535E-07-0.03295917E-10 0.09897487E+06-0.13862268E+02 4
-C2H Kee387C 2H 1 G 0300.00 5000.00 1000.00 1
- 0.04427688E+02 0.02216268E-01-0.06048952E-05 0.09882517E-09-0.07351179E-13 2
- 0.06590415E+06-0.11994418E+01 0.03050667E+02 0.06051674E-01-0.04956634E-04 3
- 0.02804159E-07-0.08193332E-11 0.06630011E+06 0.05954361E+02 4
-C2H2 Kee386C 2H 2 G 0300.00 5000.00 1000.00 1
- 0.04436770E+02 0.05376039E-01-0.01912816E-04 0.03286379E-08-0.02156709E-12 2
- 0.02566766E+06-0.02800338E+02 0.02013562E+02 0.15190446E-01-0.16163189E-04 3
- 0.09078992E-07-0.01912746E-10 0.02612444E+06 0.08805378E+02 4
-C2H4 Kee286C 2H 4 G 0300.00 5000.00 1000.00 1
- 0.03528418E+02 0.11485185E-01-0.04418385E-04 0.07844600E-08-0.05266848E-12 2
- 0.04428288E+05 0.02230389E+02-0.08614880E+01 0.02796162E+00-0.03388677E-03 3
- 0.02785152E-06-0.09737879E-10 0.05573046E+05 0.02421148E+03 4
-C2H5 Kee387C 2H 5 G 0300.00 5000.00 1000.00 1
- 0.07190480E+02 0.06484077E-01-0.06428064E-05-0.02347879E-08 0.03880877E-12 2
- 0.10674549E+05-0.14780892E+02 0.02690701E+02 0.08719133E-01 0.04419838E-04 3
- 0.09338703E-08-0.03927773E-10 0.12870404E+05 0.12138195E+02 4
-C2H6 Kee686C 2H 6 G 0300.00 4000.00 1000.00 1
- 0.04825938E+02 0.13840429E-01-0.04557258E-04 0.06724967E-08-0.03598161E-12 2
--0.12717793E+05-0.05239506E+02 0.14625388E+01 0.15494667E-01 0.05780507E-04 3
--0.12578319E-07 0.04586267E-10-0.11239176E+05 0.14432295E+02 4
-C2O Kee286C 2O 1 G 0300.00 5000.00 1000.00 1
- 0.04849809E+02 0.02947585E-01-0.10907286E-05 0.01792562E-08-0.11157585E-13 2
- 0.03282055E+06-0.06453225E+01 0.03368850E+02 0.08241803E-01-0.08765145E-04 3
- 0.05569262E-07-0.15400086E-11 0.03317081E+06 0.06713314E+02 4
-C3H2 Kee686C 3H 2 G 0300.00 5000.00 1000.00 1
- 0.06530853E+02 0.05870316E-01-0.01720776E-04 0.02127498E-08-0.08291910E-13 2
- 0.05115213E+06-0.11227278E+02 0.02691077E+02 0.14803664E-01-0.03250551E-04 3
--0.08644363E-07 0.05284877E-10 0.05219072E+06 0.08757391E+02 4
-C3H5 Kee/77C 3H 5 G 0300.00 5000.00 1000.00 1
- 0.79091978E+01 0.12115255E-01-0.41175863E-05 0.61566796E-09-0.33235733E-13 2
- 0.12354156E+05-0.19672333E+02-0.54100400E+00 0.27284101E-01-0.96365329E-06 3
--0.19129462E-07 0.98394175E-11 0.15130395E+05 0.26067337E+02 4
-C3H6 Kee186C 3H 6 G 0300.00 5000.00 1000.00 1
- 0.06732257E+02 0.14908336E-01-0.04949899E-04 0.07212022E-08-0.03766204E-12 2
--0.09235703E+04-0.13313348E+02 0.14933071E+01 0.02092517E+00 0.04486794E-04 3
--0.16689121E-07 0.07158146E-10 0.10748264E+04 0.16145340E+02 4
-C4 Kee286C 4 G 0300.00 5000.00 1000.00 1
- 0.06500180E+02 0.04228632E-01-0.01790717E-04 0.03404812E-08-0.02403978E-12 2
- 0.11434008E+06-0.11488894E+02 0.02343028E+02 0.16429811E-01-0.15279858E-04 3
- 0.07343826E-07-0.15822743E-11 0.11545384E+06 0.09826204E+02 4
-C4H Kee686C 4H 1 G 0300.00 5000.00 1000.00 1
- 0.06242882E+02 0.06193682E-01-0.02085931E-04 0.03082203E-08-0.16364826E-13 2
- 0.07568019E+06-0.07210806E+02 0.05023247E+02 0.07092375E-01-0.06073762E-07 3
--0.02275752E-07 0.08086994E-11 0.07623812E+06-0.06942594E+00 4
-C4H2 Kee686C 4H 2 G 0300.00 5000.00 1000.00 1
- 0.09031407E+02 0.06047252E-01-0.01948788E-04 0.02754863E-08-0.13856080E-13 2
- 0.05294735E+06-0.02385067E+03 0.04005191E+02 0.01981000E+00-0.09865877E-04 3
--0.06635158E-07 0.06077413E-10 0.05424065E+06 0.01845736E+02 4
-C4H4 Kee C 4H 4 G 300.000 5000.000 1404.000 1
- 1.00207062E+01 9.67390881E-03-3.23076021E-06 4.93586227E-10-2.83175163E-14 2
- 3.26359855E+04-2.84768495E+01 1.01074067E+00 3.33151781E-02-2.73656162E-05 3
- 1.17824083E-08-2.04860686E-12 3.54881795E+04 1.89625510E+01 4
-C4H6 Kee186C 4H 6 G 0300.00 5000.00 1000.00 1
- 0.08046583E+02 0.16485251E-01-0.05522227E-04 0.08123593E-08-0.04295078E-12 2
- 0.13701305E+05-0.01800457E+03 0.03197108E+02 0.02025591E+00 0.06510192E-04 3
--0.16584423E-07 0.06400282E-10 0.15715203E+05 0.09895660E+02 4
-C5H2 Kee587C 5H 2 G 0300.00 5000.00 1000.00 1
- 0.11329175E+02 0.07424056E-01-0.02628188E-04 0.04082541E-08-0.02301332E-12 2
- 0.07878706E+06-0.03617117E+03 0.03062321E+02 0.02709998E+00-0.10091697E-04 3
--0.12727451E-07 0.09167219E-10 0.08114969E+06 0.07071078E+02 4
-C5H3 Kee387C 5H 3 G 0300.00 5000.00 1000.00 1
- 0.10787622E+02 0.09539619E-01-0.03206744E-04 0.04733323E-08-0.02512135E-12 2
- 0.06392904E+06-0.03005444E+03 0.04328720E+02 0.02352480E+00-0.05856723E-04 3
--0.12154494E-07 0.07726478E-10 0.06588531E+06 0.04173258E+02 4
-C5H4O burcat C 5H 4O 1 0G 300.000 5000.000 1000.000 1
- 0.12606535e 02 0.16747067e-01-0.61097587e-05 0.99674576e-09-0.60111834e-13 2
- 0.14114657e 04-0.42604911e 02 0.23043601e 00 0.32322572e-01 0.28900908e-04 3
--0.70680613e-07 0.33407174e-10 0.55554724e 04 0.25330946e 02 4
-C5H4OH burcat C 5H 5O 1 0G 300.000 5000.000 1000.000 1
- 0.13367777e 02 0.15205911e-01-0.54592662e-05 0.88135325e-09-0.52774563e-13 2
- 0.47218184e 04-0.45920099e 02-0.12820812e 01 0.49040075e-01-0.13687402e-04 3
--0.29134476e-07 0.19006885e-10 0.88893319e 04 0.30797801e 02 4
-C5H5 mar96C 5H 5 G 0300.00 4000.00 1403.00 1
- 1.29044479e 01 1.26989021e-02-4.35726839e-06 6.78034680e-10-3.94047039e-14 2
- 2.59665811e 04-4.89414326e 01-4.48313342e 00 6.14978772e-02-5.77725922e-05 3
- 2.73308264e-08-5.08259162e-12 3.11707706e 04 4.15116727e 01 4
-C6H5O 82489C 6H 5O 1 G 0300.00 4000.00 1000.00 1
- 0.01822639e+03 0.01003985e+00-0.09915668e-05-0.05672804e-08 0.01068372e-11 2
--0.02620846e+05-0.07361391e+03 0.01107497e+02 0.03956946e+00 0.08497295e-05 3
--0.02436311e-06 0.09650660e-10 0.03159672e+05 0.01973496e+03 4
-C6H5OH 82489C 6H 6O 1 G 0300.00 4000.00 1000.00 1
- 0.01821633e+03 0.01142427e+00-0.01096684e-04-0.06427442e-08 0.01198893e-11 2
--0.02053664e+06-0.07304234e+03 0.01391456e+02 0.03931958e+00 0.01777096e-04 3
--0.02277673e-06 0.08309659e-10-0.01472181e+06 0.01917813e+03 4
-C5H6 Kee387C 5H 6 G 0300.00 5000.00 1000.00 1
- 0.09689815E+02 0.01838262E+00-0.06264884E-04 0.09393377E-08-0.05087708E-12 2
- 0.11021242E+05-0.03122908E+03-0.03196739E+02 0.04081361E+00 0.06816505E-05 3
--0.03137459E-06 0.15772230E-10 0.15290676E+05 0.03869938E+03 4
-C6H Kee686C 6H 1 G 0300.00 5000.00 1000.00 1
- 0.11587352E+02 0.07295362E-01-0.02466008E-04 0.03407045E-08-0.14981855E-13 2
- 0.10314481E+06-0.03172578E+03 0.04769848E+02 0.02457279E+00-0.07561252E-04 3
--0.14806908E-07 0.09768053E-10 0.10485231E+06 0.03241530E+02 4
-C6H2 Kee686C 6H 2 G 0300.00 5000.00 1000.00 1
- 0.12756519E+02 0.08034381E-01-0.02618215E-04 0.03725060E-08-0.01878850E-12 2
- 0.08075469E+06-0.04041262E+03 0.05751085E+02 0.02636719E+00-0.11667596E-04 3
--0.10714498E-07 0.08790297E-10 0.08262012E+06-0.04335532E+02 4
-C6H3 Kee387C 6H 3 G 0300.00 5000.00 1000.00 1
- 0.12761181E+02 0.10385573E-01-0.03479192E-04 0.05109733E-08-0.02690965E-12 2
- 0.07477706E+06-0.03891745E+03 0.05007089E+02 0.02692851E+00-0.05919865E-04 3
--0.15272335E-07 0.09408310E-10 0.07713200E+06 0.02225621E+02 4
-C6H5 Kee489C 6H 5 G 0300.00 4000.00 1000.00 1
- 0.15775887E+02 0.09651109E-01-0.09429416E-05-0.05469111E-08 0.10265216E-12 2
- 0.03302698E+06-0.06176280E+03 0.11435567E+00 0.03627324E+00 0.11582856E-05 3
--0.02196964E-06 0.08463556E-10 0.03836054E+06 0.02380117E+03 4
-C6H5(L) 82489C 6H 5 G 0300.00 4000.00 1000.00 1
- 0.01721540e+03 0.08621068e-01-0.08221340e-05-0.04752164e-08 0.08844086e-12 2
- 0.06385819e+06-0.06139128e+03 0.04854269e+02 0.03031659e+00 0.01742893e-05 3
--0.01811010e-06 0.07392511e-10 0.06798734e+06 0.05854935e+02 4
-C6H5O Kee489C 6H 5O 1 G 0300.00 4000.00 1000.00 1
- 0.01822638E+03 0.10039851E-01-0.09915668E-05-0.05672804E-08 0.10683716E-12 2
--0.02620846E+05-0.07361390E+03 0.11074965E+01 0.03956945E+00 0.08497295E-05 3
--0.02436311E-06 0.09650659E-10 0.03159672E+05 0.01973496E+03 4
-C6H5OH Kee489C 6H 6O 1 G 0300.00 4000.00 1000.00 1
- 0.01821632E+03 0.11424269E-01-0.10966843E-05-0.06427442E-08 0.11988930E-12 2
--0.02053664E+06-0.07304233E+03 0.13914556E+01 0.03931957E+00 0.01777096E-04 3
--0.02277673E-06 0.08309659E-10-0.14721809E+05 0.01917813E+03 4
-C6H6 Kee387C 6H 6 G 0300.00 5000.00 1000.00 1
- 0.12910740E+02 0.01723296E+00-0.05024210E-04 0.05893497E-08-0.01947521E-12 2
- 0.03664511E+05-0.05002699E+03-0.03138012E+02 0.04723103E+00-0.02962207E-04 3
--0.03262819E-06 0.01718691E-09 0.08890031E+05 0.03657573E+03 4
-C6H7 Kee489C 6H 7 G 0300.00 4000.00 1000.00 1
- 0.01755221E+03 0.12270795E-01-0.11857424E-05-0.06959661E-08 0.13013259E-12 2
- 0.16245813E+05-0.07166588E+03 0.04639166E+01 0.03975928E+00 0.02529095E-04 3
--0.02223792E-06 0.07557053E-10 0.02225169E+06 0.02235387E+03 4
-C10H8 Gardib8C 10H 8 G 0300.00 5000.00 1000.00 1
- 0.19726501E+02 0.28167639E-01-0.96896429E-05 0.14654855E-08-0.80134955E-13 2
- 0.85581797E+04-0.86023239E+02-0.46547480E+01 0.74611127E-01-0.53069607E-05 3
--0.54125859E-07 0.29066527E-10 0.16325324E+05 0.45005463E+02 4
-CH Kee1286C 1H 1 G 0300.00 5000.00 1000.00 1
- 0.02196223E+02 0.02340381E-01-0.07058201E-05 0.09007582E-09-0.03855040E-13 2
- 0.07086723E+06 0.09178373E+02 0.03200202E+02 0.02072875E-01-0.05134431E-04 3
- 0.05733890E-07-0.01955533E-10 0.07045259E+06 0.03331587E+02 4
-CH2CO Kee1686C 2H 2O 1 G 0300.00 5000.00 1000.00 1
- 0.06038817E+02 0.05804840E-01-0.01920953E-04 0.02794484E-08-0.14588676E-13 2
--0.08583402E+05-0.07657581E+02 0.02974970E+02 0.12118712E-01-0.02345045E-04 3
--0.06466685E-07 0.03905649E-10-0.07632636E+05 0.08673553E+02 4
-CH2O Kee1286C 1H 2O 1 G 0300.00 5000.00 1000.00 1
- 0.02995606E+02 0.06681321E-01-0.02628954E-04 0.04737153E-08-0.03212517E-12 2
--0.15320369E+05 0.06912572E+02 0.16527311E+01 0.12631439E-01-0.01888168E-03 3
- 0.02050031E-06-0.08413237E-10-0.14865404E+05 0.13784820E+02 4
-CH2OH Kee0186H 3C 1O 1 G 0250.00 4000.00 1000.00 1
- 0.06327520E+02 0.03608270E-01-0.03201547E-05-0.01938750E-08 0.03509704E-12 2
--0.04474509E+05-0.08329365E+02 0.02862628E+02 0.10015273E-01-0.05285435E-05 3
--0.05138539E-07 0.02246041E-10-0.03349678E+05 0.10397938E+02 4
-CH3 Kee1286C 1H 3 G 0300.00 5000.00 1000.00 1
- 0.02844051E+02 0.06137974E-01-0.02230345E-04 0.03785161E-08-0.02452159E-12 2
- 0.16437809E+05 0.05452697E+02 0.02430442E+02 0.11124099E-01-0.01680220E-03 3
- 0.16218288E-07-0.05864952E-10 0.16423781E+05 0.06789794E+02 4
-CH3O Kee1686C 1H 3O 1 G 0300.00 3000.00 1000.00 1
- 0.03770799E+02 0.07871497E-01-0.02656384E-04 0.03944431E-08-0.02112616E-12 2
- 0.12783252E+03 0.02929575E+02 0.02106204E+02 0.07216595E-01 0.05338472E-04 3
--0.07377636E-07 0.02075610E-10 0.09786011E+04 0.13152177E+02 4
-CH3OH Kee1686C 1H 4O 1 G 0300.00 5000.00 1000.00 1
- 0.04029061E+02 0.09376593E-01-0.03050254E-04 0.04358793E-08-0.02224723E-12 2
--0.02615791E+06 0.02378195E+02 0.02660115E+02 0.07341508E-01 0.07170050E-04 3
--0.08793194E-07 0.02390570E-10-0.02535348E+06 0.11232631E+02 4
-CO Kee1286C 1O 1 G 0300.00 5000.00 1000.00 1
- 0.03025078E+02 0.14426885E-02-0.05630827E-05 0.10185813E-09-0.06910951E-13 2
--0.14268350E+05 0.06108217E+02 0.03262451E+02 0.15119409E-02-0.03881755E-04 3
- 0.05581944E-07-0.02474951E-10-0.14310539E+05 0.04848897E+02 4
-CO2 Kee1286C 1O 2 G 0300.00 5000.00 1000.00 1
- 0.04453623E+02 0.03140168E-01-0.12784105E-05 0.02393996E-08-0.16690333E-13 2
--0.04896696E+06-0.09553959E+01 0.02275724E+02 0.09922072E-01-0.10409113E-04 3
- 0.06866686E-07-0.02117280E-10-0.04837314E+06 0.10188488E+02 4
-H Kee0186H 1 G 0300.00 5000.00 1000.00 1
- 0.02500000E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2
- 0.02547162E+06-0.04601176E+01 0.02500000E+02 0.00000000E+00 0.00000000E+00 3
- 0.00000000E+00 0.00000000E+00 0.02547162E+06-0.04601176E+01 4
-H2 Kee1286H 2 G 0300.00 5000.00 1000.00 1
- 0.02991423E+02 0.07000644E-02-0.05633828E-06-0.09231578E-10 0.15827519E-14 2
--0.08350340E+04-0.13551101E+01 0.03298124E+02 0.08249441E-02-0.08143015E-05 3
--0.09475434E-09 0.04134872E-11-0.10125209E+04-0.03294094E+02 4
-H2C4O Kee0189H 2C 4O 1 G 0300.00 4000.00 1000.00 1
- 0.10268878E+02 0.04896164E-01-0.04885080E-05-0.02708566E-08 0.05107013E-12 2
- 0.02346902E+06-0.02815985E+03 0.04810971E+02 0.13139988E-01 0.09865073E-05 3
--0.06120720E-07 0.16400028E-11 0.02545803E+06 0.02113424E+02 4
-H2CCCCH Kee2489C 4H 3 G 0300.00 4000.00 1000.00 1
- 0.11314095E+02 0.05014414E-01-0.05350444E-05-0.02825309E-08 0.05403279E-12 2
- 0.05181211E+06-0.03062434E+03 0.06545799E+02 0.12424768E-01 0.05603226E-05 3
--0.05631141E-07 0.16652183E-11 0.05352502E+06-0.04264082E+02 4
-H2CCCCH2 Kee2489C 4H 4 G 0300.00 4000.00 1000.00 1
- 0.10620828E+02 0.07199370E-01-0.06806234E-05-0.04021185E-08 0.07378498E-12 2
- 0.03358797E+06-0.03193583E+03 0.03849007E+02 0.01713169E+00 0.16442703E-05 3
--0.07761590E-07 0.01947859E-10 0.03608372E+06 0.05732120E+02 4
-H2CCCH Kee2489C 3H 3 G 0300.00 4000.00 1000.00 1
- 0.08831047E+02 0.04357194E-01-0.04109066E-05-0.02368723E-08 0.04376520E-12 2
- 0.03847419E+06-0.02177919E+03 0.04754199E+02 0.11080277E-01 0.02793323E-05 3
--0.05479212E-07 0.01949629E-10 0.03988883E+06 0.05854549E+01 4
-H2O Kee0387H 2O 1 G 0300.00 5000.00 1000.00 1
- 0.02672145E+02 0.03056293E-01-0.08730260E-05 0.12009964E-09-0.06391618E-13 2
--0.02989921E+06 0.06862817E+02 0.03386842E+02 0.03474982E-01-0.06354696E-04 3
- 0.06968581E-07-0.02506588E-10-0.03020811E+06 0.02590232E+02 4
-H2O2 Kee0186H 2O 2 G 0300.00 5000.00 1000.00 1
- 0.04573167E+02 0.04336136E-01-0.14746888E-05 0.02348903E-08-0.14316536E-13 2
--0.01800696E+06 0.05011369E+01 0.03388753E+02 0.06569226E-01-0.14850125E-06 3
--0.04625805E-07 0.02471514E-10-0.01766314E+06 0.06785363E+02 4
-HCCHCCH Kee2489C 4H 3 G 0300.00 4000.00 1000.00 1
- 0.10752738E+02 0.05381153E-01-0.05549637E-05-0.03052266E-08 0.05761740E-12 2
- 0.06121419E+06-0.02973025E+03 0.04153881E+02 0.01726287E+00-0.02389374E-05 3
--0.10187000E-07 0.04340504E-10 0.06338070E+06 0.06036506E+02 4
-HCCO Kee2387H 1C 2O 1 G 0300.00 4000.00 1000.00 1
- 0.06758073E+02 0.02000400E-01-0.02027607E-05-0.10411318E-09 0.01965164E-12 2
- 0.01901513E+06-0.09071262E+02 0.05047965E+02 0.04453478E-01 0.02268282E-05 3
--0.14820945E-08 0.02250741E-11 0.01965891E+06 0.04818439E+01 4
-HCCOH Kee2387H 2C 2O 1 G 0300.00 4000.00 1000.00 1
- 0.07328324E+02 0.03336416E-01-0.03024705E-05-0.01781106E-08 0.03245168E-12 2
- 0.07598258E+05-0.14012140E+02 0.03899465E+02 0.09701075E-01-0.03119309E-05 3
--0.05537732E-07 0.02465732E-10 0.08701190E+05 0.04491874E+02 4
-HCO Kee1286H 1C 1O 1 G 0300.00 5000.00 1000.00 1
- 0.03557271E+02 0.03345572E-01-0.13350060E-05 0.02470572E-08-0.01713850E-12 2
- 0.03916324E+05 0.05552299E+02 0.02898329E+02 0.06199146E-01-0.09623084E-04 3
- 0.10898249E-07-0.04574885E-10 0.04159922E+05 0.08983614E+02 4
-HO2 Kee0387H 1O 2 G 0300.00 5000.00 1000.00 1
- 0.04072191E+02 0.02131296E-01-0.05308145E-05 0.06112269E-09-0.02841164E-13 2
--0.15797270E+03 0.03476029E+02 0.02979963E+02 0.04996697E-01-0.03790997E-04 3
- 0.02354192E-07-0.08089024E-11 0.01762273E+04 0.09222724E+02 4
-O Kee0186O 1 G 0300.00 5000.00 1000.00 1
- 0.02542059E+02-0.02755061E-03-0.03102803E-07 0.04551067E-10-0.04368051E-14 2
- 0.02923080E+06 0.04920308E+02 0.02946428E+02-0.16381665E-02 0.02421031E-04 3
--0.16028431E-08 0.03890696E-11 0.02914764E+06 0.02963995E+02 4
-O2 Kee1386O 2 G 0300.00 5000.00 1000.00 1
- 0.03697578E+02 0.06135197E-02-0.12588420E-06 0.01775281E-09-0.11364354E-14 2
--0.12339301E+04 0.03189165E+02 0.03212936E+02 0.11274864E-02-0.05756150E-05 3
- 0.13138773E-08-0.08768554E-11-0.10052490E+04 0.06034737E+02 4
-OH Kee1286O 1H 1 G 0300.00 5000.00 1000.00 1
- 0.02882730E+02 0.10139743E-02-0.02276877E-05 0.02174683E-09-0.05126305E-14 2
- 0.03886888E+05 0.05595712E+02 0.03637266E+02 0.01850910E-02-0.16761646E-05 3
- 0.02387202E-07-0.08431442E-11 0.03606781E+05 0.13588605E+01 4
-CH2CHCCH2 Kee C 4H 5 G 300.000 5000.000 1413.000 1
- 1.11854536E+01 1.06049024E-02-3.42268950E-06 5.10812979E-10-2.88272523E-14 2
- 3.24441710E+04-3.39237401E+01 1.05514961E+00 3.77996411E-02-3.15008221E-05 3
- 1.36464976E-08-2.36025391E-12 3.55501864E+04 1.91307649E+01 4
-CH2CHCHCH Kee C 4H 5 G 300.000 5000.000 1413.000 1
- 1.11854536E+01 1.06049024E-02-3.42268950E-06 5.10812979E-10-2.88272523E-14 2
- 3.86847347E+04-3.39237401E+01 1.05514961E+00 3.77996411E-02-3.15008221E-05 3
- 1.36464976E-08-2.36025391E-12 4.17907501E+04 1.91307649E+01 4
-C6H4OH MOPAC C 6H 5O 1 0G 300.000 5000.000 1404.000 1
- 1.45068436E+01 1.59404980E-02-5.37246333E-06 8.26250158E-10-4.76347968E-14 2
- 9.52783213E+03-5.58395061E+01-3.09604127E+00 6.10439698E-02-4.99110690E-05 3
- 2.08646723E-08-3.49237193E-12 1.51688735E+04 3.71626206E+01 4
-C8H8 EBG C 8H 8 0 0G 300.000 5000.000 1397.000 1
- 1.97218275E+01 2.13671373E-02-7.18301846E-06 1.10346973E-09-6.35885595E-14 2
- 8.09327433E+03-8.32435075E+01-5.59026555E+00 8.59858562E-02-7.07697538E-05 3
- 2.96387500E-08-4.96343461E-12 1.62297563E+04 5.05773921E+01 4
-C8H10 EBG C 8H 10O 0 0G 300.000 5000.000 1390.000 1
- 2.14713086E+01 2.49558342E-02-8.42478694E-06 1.29835947E-09-7.49993230E-14 2
--7.46898472E+03-9.36428065E+01-6.24730659E+00 8.99995431E-02-6.56895331E-05 3
- 2.37336850E-08-3.37085410E-12 1.97071484E+03 5.48599202E+01 4
-C7H7 T08/90C 7H 7 0 0G 200.000 6000.000 1
- 0.14043980E+02 0.23493873E-01-0.85375367E-05 0.13890841E-08-0.83614420E-13 2
- 0.18564203E+05-0.51665589E+02 0.48111540E+00 0.38512832E-01 0.32861492E-04 3
--0.76972721E-07 0.35423068E-10 0.23307027E+05 0.23548820E+02 4
-C7H7O EBG C 7H 7O 1 0G 300.000 5000.000 1389.000 1
- 2.08644385E+01 1.85115130E-02-6.34591221E-06 9.88320326E-10-5.75152427E-14 2
--8.39231428E+03-9.15798540E+01-3.73786936E+00 7.52967730E-02-5.47150593E-05 3
- 1.89060939E-08-2.46715849E-12 2.67233477E+01 4.04727046E+01 4
-C7H7OH EBG C 7H 8O 1 0G 300.000 5000.000 1398.000 1
- 2.05745245E+01 2.05513700E-02-6.88594427E-06 1.05580886E-09-6.07715527E-14 2
--2.54145704E+04-8.69178692E+01-4.48479735E+00 8.32792049E-02-6.68674735E-05 3
- 2.70252364E-08-4.34410399E-12-1.72753716E+04 4.59408329E+01 4
-C10H7 mopac C 10H 7O 0 0G 300.000 5000.000 1431.000 1
- 1.77174588E+01 2.67239869E-02-8.72730540E-06 1.31405429E-09-7.46517931E-14 2
- 3.78635946E+04-7.55942936E+01-4.97706841E+00 7.81519562E-02-5.09523896E-05 3
- 1.59157709E-08-1.79646453E-12 4.56870324E+04 4.64894159E+01 4
-N2 Kee286N 2 G 0300.00 5000.00 1000.00 1
- 0.02926640E+02 0.14879768E-02-0.05684760E-05 0.10097038E-09-0.06753351E-13 2
--0.09227977E+04 0.05980528E+02 0.03298677E+02 0.14082404E-02-0.03963222E-04 3
- 0.05641515E-07-0.02444854E-10-0.10208999E+04 0.03950372E+02 4
-C2H3 Kee87C 2H 3 G 0300.00 5000.00 1000.00 1
- 0.05933468E+02 0.04017745E-01-0.03966739E-05-0.14412666E-09 0.02378643E-12 2
- 0.03185434E+06-0.08530313E+02 0.02459276E+02 0.07371476E-01 0.02109872E-04 3
--0.13216421E-08-0.11847838E-11 0.03335225E+06 0.11556202E+02 4
-C8H6 A 6/83C 8H 6 0 0G 300. 3000. 1000.000 1
- 0.15638086E+02 0.22068432E-01-0.80253111E-05 0.13065013E-08-0.78679279E-13 2
- 0.32272867E+05-0.59610868E+02-0.87234720E+00 0.51839614E-01 0.66079738E-05 3
--0.55950961E-07 0.29284749E-10 0.37461628E+05 0.29096304E+02 4
-C12H9 BIPHENYL O-L12/84C 12.H 9. 0. 0.G 300.000 5000.00 1000.000 1
- 0.23851303E 02 0.31960227E-01-0.11076719E-04 0.16847825E-08-0.92641173E-13 2
- 0.40171297E 05-0.10270549E 03-0.31376228E 01 0.82217276E-01-0.40171444E-05 3
--0.60809782E-07 0.32074482E-10 0.48868754E 05 0.42730362E 02 4
-END
-REACTIONS
- C6H5+C6H5=C12H10 7.01E+15 -1.0 1470.0 ! 1
- C6H5+C6H6=C12H10+H 1.00E+12 .0 7000.0 ! 2
- H2CCCH+C7H7=C10H8+2H 6.03E+11 .0 .0 ! 3
- 2C5H5=C10H8+H2 4.30E+36 -6.3 45671.0 ! 4
- HCCHCCH+C6H5=C10H8 3.18E+23 -3.2 4220.0 ! 5
- HCCHCCH+C6H5=C10H7+H 2.00E-10 7.1 1560.0 ! 6
- C10H8+OH=C10H7+H2O 2.10E+13 .0 4600.0 ! 7
- C10H7+H=C10H8 6.65E+15 -.1 560.0 ! 8
- C10H8+C2H3=C10H7+C2H4 5.00E+13 .0 16000.0 ! 9
- C10H8+C2H=C10H7+C2H2 5.00E+13 .0 16000.0 ! 10
- C10H8+H=C10H7+H2 2.50E+14 .0 16000.0 ! 11
- C8H10+OH=C8H8+H2O+H 8.34E+12 .0 2583.0 ! 12
- C8H10+H=C8H8+H2+H 8.00E+13 .0 8235.0 ! 13
- C8H10+O2=C8H8+HO2+H 2.00E+14 .0 41400.0 ! 14
- C7H7+CH3=C8H10 3.14E+18 -1.8 2340.0 ! 15
- C7H7+CH3=C8H8+H2 2.02E-11 7.2 8170.0 ! 16
- C8H10=C8H8+H2 5.01E+12 .0 64000.0 ! 17
- C8H10+H=C6H6+C2H5 1.20E+13 .0 5100.0 ! 18
- C6H5+C2H3=C8H8 1.06E+26 -4.0 5250.0 ! 19
- C6H5+C4H4=C8H8+C2H 3.20E+11 .0 1900.0 ! 20
- C6H5+C4H6=C8H8+C2H3 3.20E+11 .0 1900.0 ! 21
- C4H4+C4H4=C8H8 1.83E+20 -1.9 40460.0 ! 22
- CH2CHCHCH+C4H4=C8H8+H 3.16E+11 .0 600.0 ! 23
- C8H8+H=C8H6+H2+H 6.92E+14 .0 14500.0 ! 24
- C6H6+C2H=C8H6+H 1.00E+12 .0 .0 ! 25
- C6H5+C2H=C8H6 5.24E+14 -.5 700.0 ! 26
- C6H5+C4H2=C8H6+C2H 2.00E+13 .0 .0 ! 27
- C6H5+C4H4=C8H6+C2H3 3.20E+11 .0 1350.0 ! 28
- CH2CHCHCH+C4H2=C8H6+H 3.16E+11 .0 1800.0 ! 29
-!
- C7H7+H=C6H5CH3 9.01E+17 -1.1 1300.0 ! 30
- C6H5+CH3=C6H5CH3 9.78E+18 -1.9 1650.0 ! 31
- C6H5CH3+O2=C7H7+HO2 3.00E+14 .0 41400.0 ! 32
- C6H5CH3+OH=C7H7+H2O 1.26E+13 .0 2583.0 ! 33
- C6H5CH3+H=C7H7+H2 1.20E+14 .0 8235.0 ! 34
- C6H5CH3+H=C6H6+CH3 1.20E+13 .0 5148.0 ! 35
- C6H5CH3+CH3=C7H7+CH4 3.16E+11 .0 9500.0 ! 36
- C6H5CH3+C6H5=C7H7+C6H6 2.10E+12 .0 4400.0 ! 37
- C6H5CH3+C2H3=C7H7+C2H4 3.98E+12 .0 8000.0 ! 38
- C6H5CH3+O=C7H7O+H 1.63E+13 0.0 3418.0 ! 39
- CH2CHCHCH+C3H4=C6H5CH3+H 2.00E+11 .0 3700.0 ! 40
- CH2CHCHCH+C3H4P=C6H5CH3+H 3.16E+11 .0 3700.0 ! 41
- C7H8O+H=C6H5CH3+OH 2.21E+13 .0 7910.0 ! 42
- C7H8O+H=C6H5OH+CH3 1.20E+13 .0 5148.0 ! 43
- C6H5O+CH3=C7H8O 1.00E+12 .0 .0 ! 44
- C7H7+C6H5OH=C6H5CH3+C6H5O 1.05E+11 .0 9500.0 ! 45
- C7H8O+C7H7=C7H7O+C6H5CH3 1.05E+11 0.0 9500.0 ! 46
- C7H8O+OH=C7H7O+H2O 6.00E+12 0.0 0.0 ! 47
- C7H8O+H=C7H7O+H2 1.50E+14 0.0 12400.0 ! 48
- C7H7O+H=C7H8O 2.50E+14 0.0 0.0 ! 49
- C7H7O=C6H6+H+CO 2.51E+11 0.0 43900.0 ! 50
- C6H5+CH3=C7H7+H 5.70E-02 5.0 15700.0
- C7H7+OH=C6H5O+CH3 2.28E+49 -10.9 14130.0
- C5H5+C2H2=C7H7 1.16E+15 -1.1 9710.0
- C4H4+H2CCCH=C7H7 1.10E+16 -2.4 12470.0
- C7H7+HO2=C6H5+CH2O+OH 8.00E+13 .0 .0
- C7H7+O=C6H5CHO+H 2.50E+14 0.0 0.0
- C7H7+O=C6H5+CH2O 8.00E+13 0.0 0.0
- C7H7+HO2=C6H5CHO+H+OH 2.50E+14 0.0 0.0
- C7H7+OH=C7H7OH 6.00E+13 0.0 0.0
- C7H7OH+O2=C6H5CHO+H+HO2 2.00E+14 0.0 41400.0
- C7H7OH+OH=C6H5CHO+H+H2O 8.43E+12 0.0 2583.0
- C7H7OH+H=C6H5CHO+H+H2 8.00E+13 0.0 0.0
- C7H7OH+H=C6H6+CH2OH 1.20E+13 0.0 6148.0
- C7H7OH+C7H7=C6H5CHO+C6H5CH3+H 2.11E+11 0.0 9500.0
- C7H7OH+C6H5=C6H5CHO+C6H6+H 1.40E+12 0.0 4400.0
- C6H5CHO+O2=C6H5CO+HO2 1.02E+13 0.0 38950.0
- C6H5CHO+OH=C6H5CO+H2O 1.71E+09 1.18 -447.0
- C6H5CHO+H=C6H5CO+H2 5.00E+13 0.0 4928.0
- C6H5CHO+H=C6H5+CH2O 2.00E+13 0.0 2000.0
- C6H5CHO+H=C6H6+HCO 1.20E+13 0.0 5148.0
- C6H5CHO+O=C6H5CO+OH 9.04E+12 0.0 3080.0
- C6H5CHO+CH3=CH4+C6H5CO 2.77E+03 2.81 5773.0
- C6H5CHO+C6H5=C6H6+C6H5CO 7.01E+11 0.0 4400.0
- C6H5CO=C6H5+CO 3.98E+14 0.0 29400.0
- C4H4+C2H2=C6H6 4.47E+11 .0 30090.0
- C6H5+H=C6H6 2.20E+14 .0 .0
- C6H6+H=C6H5+H2 2.50E+14 .0 16000.0
- C6H5O+H=C6H6+O 3.02E+54 -11.2 64750.0
- C6H6+OH=C6H5+H2O 1.45E+13 .0 4491.0
- C6H6+O2=C6H5+HO2 6.30E+13 .0 60000.0
- C6H5+CH2O=C6H6+HCO 1.75E+10 .0 .0
- C3H4+C3H2=C6H6 7.38E+13 -.7 920.0
- C3H4P+C3H2=C6H6 1.42E+14 -.8 1030.0
- C3H4+H2CCCH=C6H6+H 2.20E+11 .0 2000.0
- C6H6+OH=C6H5OH+H 3.54E+09 1.0 7906.0
- C5H6+CO=C6H5OH 9.00E+09 .0 34600.0
- C6H5OH+H=C6H5O+H2 1.15E+14 .0 12400.0
- C6H5OH+O=C6H5O+OH 2.81E+13 .0 7352.0
- C6H5OH+OH=C6H5O+H2O 2.95E+06 2.0 1312.0
- C6H5OH+OH=C6H4OH+H2O 6.00E+12 .0 .0
- C6H5OH+HO2=C6H5O+H2O2 3.00E+13 .0 15000.0
- C6H5OH+C2H3=C2H4+C6H5O 6.00E+12 .0 .0
- C6H5OH+CH2CHCHCH=C4H6+C6H5O 6.00E+12 .0 .0
- C6H5OH+CH2CHCCH2=C4H6+C6H5O 6.00E+12 .0 .0
- C6H5OH+C6H5=C6H6+C6H5O 4.91E+12 .0 4400.0
- C6H5O+H=C6H5OH 7.24E+47 -9.7 20190.0
- C6H5O+C5H6=C5H5+C6H5OH 3.16E+11 .0 8000.0
- C5H5+CO=C6H5O 2.41E+14 -1.9 22080.0
- C6H5O+H=C5H6+CO 1.06E+53 -10.7 41360.0
- C6H5+O2=C6H5O+O 2.09E+12 .0 7470.0
- C6H5+OH=C6H5O+H 5.00E+13 .0 .0
- C6H5+O2=2CO+C2H2+C2H3 7.50E+13 .0 15002.0
- C2H2+HCCHCCH=C6H5 2.80E+03 2.9 1400.0
- C6H5=C6H5(L) 4.09E+21 -2.4 75346.0
- C6H5(L)+H=C6H4+H2 2.00E+13 .0 .0
- HCCHCCH+C2H2=C6H5(L) 8.32E+13 -1.3 4880.0
- C6H4+H=C6H5(L) 3.31E+66 -15.4 20490.0
- C4H4+C2H2=C6H5+H 1.00E+09 .0 29999.0
- C6H4+H=C6H3+H2 1.50E+14 .0 10205.3
- C6H3+H=C6H4 6.04E+32 -6.0 7650.0
- C6H4+OH=C6H3+H2O 7.00E+13 .0 3011.4
- C6H4+C2H=C6H3+C2H2 2.00E+13 .0 .0
- C2H2+HCCHCCH=C6H4+H 4.10E+10 .6 13550.0
- C5H5+CO=C6H4OH 1.38E+11 -1.0 51190.0
- C6H3+H=C6H2+H2 2.00E+13 .0 .0
- C4H2+C2H=C6H3 2.70E+31 -6.0 7450.0
- C6H2+H=C6H3 1.30E+22 -2.9 6130.0
- C6H2+M=C6H+H+M 5.00E+16 .0 80065.0
- C6H2+OH=C6H+H2O 1.10E+13 .0 7002.7
- C6H2+C2H=C6H+C2H2 2.00E+13 .0 .0
- C4H2+C2H=C6H2+H 4.00E+13 .0 .0
- 2C3H2=C6H2+H2 2.00E+13 .0 85000.0
- C6H2+C2H=C4H+C4H2 1.00E+13 .0 .0
- C5H6+HO2=C5H5+H2O2 1.99E+12 .0 11660.0
- C5H6+O2=C5H5+HO2 2.00E+13 .0 25000.0
-!
- C5H6+O2=C5H5O+OH 1.00E+13 .0 20712.0
- C5H6+O=C5H5+OH 1.81E+13 .0 3080.0
- C5H6+C2H3=C5H5+C2H4 6.00E+12 .0 .0
- C5H6+CH2CHCHCH=C5H5+C4H6 6.00E+12 .0 .0
- C5H6+CH2CHCCH2=C5H5+C4H6 6.00E+12 .0 .0
- C5H6+H=C3H5+C2H2 1.00E+13 .0 12000.0
- C3H5+C5H5=C5H6+C3H4 1.00E+12 .0 .0
- C5H5+H=C5H6 7.35E+32 -5.8 7470.0
- CH2CHCHCH+CO=C5H5O 4.58E+01 1.4 31820.0
- C5H5+OH=C5H4OH+H 3.00E+13 .0 .0
- C5H5+O=CH2CHCHCH+CO 1.00E+14 .0 .0
- C5H5+HO2=C5H5O+OH 3.00E+13 .0 .0
- H2CCCH+C2H2=C5H5 5.08E+53 -12.5 57210.0
- C5H5+O=C5H5O 1.71E+24 -3.4 4500.0
- C5H4O+H=C5H4OH 5.36E+31 -5.4 12420.0
- C5H4O=CO+C2H2+C2H2 1.00E+15 .0 78000.0
- C4H2+CH2(3)=C5H3+H 1.30E+13 .0 .0
- C4H2+CH2=C5H3+H 3.00E+13 .0 .0
- C4H2+CH=C5H2+H 1.00E+14 .0 .0
- C4H6+H2CCCH=CH2CHCCH2+C3H4 1.00E+13 .0 22501.0
- C4H6+O=C2H4+CH2CO 1.00E+12 .0 .0
- C4H6+O=C3H4+CH2O 1.00E+12 .0 .0
- C4H6+OH=C3H5+CH2O 1.00E+12 .0 .0
- C4H6+OH=C2H5+CH2CO 1.00E+12 .0 .0
- C4H6+H=CH2CHCHCH+H2 3.00E+07 2.0 6000.0
- CH2CHCCH2+M=C4H4+H+M 2.00E+15 .0 42000.0
- CH2CHCHCH+M=C4H4+H+M 1.00E+14 .0 30000.0
- CH2CHCCH2+O2=C4H4+HO2 1.20E+11 .0 .0
- CH2CHCHCH+O2=C4H4+HO2 1.20E+11 .0 .0
- CH2CHCHCH+H=CH2CHCCH2+H 1.00E+14 .0 .0
- CH2CHCHCH+OH=C4H4+H2O 2.00E+07 2.0 1000.0
- CH2CHCHCH+H=C4H4+H2 3.00E+07 2.0 1000.0
- CH2CHCHCH+C2H2=C6H6+H 2.80E+03 2.9 1400.0
- CH2CHCHCH+C2H3=C6H6+H2 2.80E-07 5.6 -1890.0
- 2C2H3=CH2CHCCH2+H 4.00E+13 .0 .0
- CH2CHCCH2+OH=C4H4+H2O 2.00E+07 2.0 1000.0
- CH2CHCCH2+H=C4H4+H2 3.00E+07 2.0 1000.0
- HCCHCCH+H+M=C4H4+M 1.00E+15 .0 .0
- H2CCCCH+H+M=C4H4+M 1.00E+15 .0 .0
- H+H2CCCCH=C4H4 3.48E+25 -4.1 14150.0
- C4H4+OH=H2CCCCH+H2O 7.50E+06 2.0 5000.0
- C4H4+C2H=H2CCCCH+C2H2 4.00E+13 .0 .0
- C4H4+C2H=HCCHCCH+C2H2 4.00E+13 .0 .0
- C4H4+H=H2CCCCH+H2 3.00E+07 2.0 5000.0
- C4H4+H=HCCHCCH+H2 2.00E+07 2.0 15000.0
- H2CCCH+CH2(3)=C4H4+H 4.00E+13 .0 .0
- C4H4+C2H3=C2H4+H2CCCCH 5.00E+11 .0 16300.0
- C4H4+C2H3=C2H4+HCCHCCH 5.00E+11 .0 16300.0
-!
- C4H4+C2H=C4H2+C2H3 1.00E+13 .0 .0
- C2H3+C2H=C4H4 9.22E+27 -4.3 5510.0
- C2H4+C2H=C4H4+H 1.21E+13 .0 .0
- HCCHCCH+H=H2CCCCH+H 1.00E+14 .0 .0
- H2CCCCH+M=C4H2+H+M 2.00E+15 .0 48000.0
- HCCHCCH+M=C4H2+H+M 1.00E+14 .0 30000.0
- H2CCCCH+O=CH2CO+C2H 2.00E+13 .0 .0
- H2CCCCH+O=H2C4O+H 2.00E+13 .0 .0
- H2CCCCH+O2=CH2CO+HCCO 1.00E+12 .0 .0
- H2CCCCH+OH=C4H2+H2O 3.00E+13 .0 .0
- H2CCCCH+H=C4H2+H2 5.00E+13 .0 .0
- H2CCCCH+H2=C2H2+C2H3 5.01E+10 .0 20000.0
- H2CCCCH+CH2(3)=C3H4+C2H 2.00E+13 .0 .0
- C2H2+C2H=HCCHCCH 4.17E+36 -7.3 8780.0
- H2CCCH+CH=H2CCCCH+H 7.00E+13 .0 .0
- H2CCCH+CH=HCCHCCH+H 7.00E+13 .0 .0
- C2H2+C2H2=HCCHCCH+H 1.00E+13 .0 45888.0
- C3H2+CH2(3)=H2CCCCH+H 3.00E+13 .0 .0
- C4H2+O=C3H2+CO 1.20E+12 .0 .0
- 2C3H2=C4H2+C2H2 2.00E+13 .0 85000.0
- C2H2+C2H=C4H2+H 3.00E+13 .0 .0
- C4H2+M=C4H+H+M 3.50E+17 .0 80065.0
- C4H2+C2H=C4H+C2H2 2.00E+13 .0 .0
- C3H6+HO2=C3H5+H2O2 9.64E+03 2.6 13910.0
- C3H6+CH3=C3H5+CH4 2.21E+00 3.5 5675.0
- C3H6+O=C3H5+OH 6.03E+10 .7 7633.0
- C3H6+O=C2H5+HCO 1.21E+11 .1 8960.0
- C3H6+O2=C3H5+HO2 6.03E+13 .0 47593.0
- C3H6+CH2OH=C3H5+CH3OH 6.03E+01 3.0 11989.0
- C3H6+CH3O=C3H5+CH3OH 9.00E+01 3.0 11987.0
- C3H6+C2H=C3H4P+C2H3 1.21E+13 .0 .0
- C3H6+CH2=C3H5+CH3 7.23E+11 .0 6192.0
- C3H6+HCO=C3H5+CH2O 1.08E+07 1.9 17006.0
- C3H6+C2H5=C3H5+C2H6 2.23E+00 3.5 6637.0
- C3H6+C2H3=C3H5+C2H4 2.21E+00 3.5 4682.0
- C3H5+HCO=C3H6+CO 6.03E+13 .0 .0
- C3H5+CH2OH=C3H6+CH2O 1.81E+13 .0 .0
- C3H5+CH3O=C3H6+CH2O 3.01E+13 .0 .0
- C3H5+C2H3=C3H6+C2H2 4.82E+12 .0 .0
- C3H5+C2H5=C3H6+C2H4 2.59E+12 .0 -131.0
- 2C3H5=C3H4+C3H6 8.43E+10 .0 -262.0
- CH2+C2H5=C3H6+H 9.03E+12 .0 .0
- CH2+C2H4=C3H6 9.03E+13 .0 .0
- C3H4+H=C3H5 1.20E+11 .7 3007.0
- C3H5+OH=C3H4+H2O 6.03E+12 .0 .0
- CH3+C2H2=C3H5 2.43E+46 -10.9 19974.0
- C3H5+CH2=C4H6+H 3.01E+13 .0 .0
- C2H+C3H5=C2H2+C3H4 1.50E-01 .0 .0
- C2H+C3H5=C2H3+H2CCCH 2.00E+01 .0 .0
- C3H5+C2H3=C3H4+C2H4 2.41E+12 .0 .0
-!
- C3H5+C2H5=C3H4+C2H6 9.64E+11 .0 -131.0
- C2H3+CH2OH=C3H5+OH 1.21E+13 .0 .0
- C2H4+CH2(3)+M=C3H5+H+M 3.19E+12 .0 5285.4
- C3H4=C3H4P 1.90E+29 -5.0 67303.0
- C3H4+C3H2=3C2H2 1.70E+13 .0 15000.0
- C3H4P+C3H2=3C2H2 1.70E+13 .0 15000.0
- C3H4+O=CO+C2H4 1.50E+13 .0 2103.0
- C3H4+OH=HCO+C2H4 1.00E+12 .0 .0
- C3H4+M=H2CCCH+H+M 1.00E+17 .0 70000.0
- C3H4P+M=H2CCCH+H+M 1.00E+17 .0 70000.0
- C3H4+CH3=H2CCCH+CH4 2.00E+12 .0 7700.0
- C3H4P+CH3=H2CCCH+CH4 2.00E+12 .0 7700.0
- C3H4+H=C2H2+CH3 2.00E+13 .0 2400.0
- C2H+CH3=C3H4P 5.53E+38 -8.2 35420.0
- CH2(3)+C2H2+M=C3H4+M 1.20E+13 .0 6600.0
- C2H2+CH2+M=C3H4P+M 2.23E+14 .0 .0
- C2H3+CH2(3)=C3H4+H 3.00E+13 .0 .0
- C2H2+CH2+M=C3H4+M 2.23E+14 .0 .0
- C3H4P+C2H=C2H2+H2CCCH 1.00E+13 .0 .0
- C3H4+C2H=C2H2+H2CCCH 1.00E+13 .0 .0
- C3H4+O=CH2O+C2H2 9.00E+12 .0 1870.0
- C3H4+O=HCO+C2H3 9.00E+12 .0 1870.0
- C3H4P+O=CH2O+C2H2 7.50E+12 .0 2102.0
- C3H4P+O=HCO+C2H3 7.50E+12 .0 2102.0
- C3H4+OH=CH2CO+CH3 3.37E+12 .0 -304.0
- C3H4P+OH=CH2CO+CH3 4.28E+11 .0 -843.0
- H2CCCH+O=C3H2+OH 3.20E+12 .0 .0
- CH3+C2H=H2CCCH+H 2.41E+13 .0 .0
- C2H+CH2OH=H2CCCH+OH 1.21E+13 .0 .0
- C2H+C2H5=CH3+H2CCCH 1.81E+13 .0 .0
- C2H2+HCCO=H2CCCH+CO 1.10E+11 .0 3000.0
- H2CCCH+O2=CH2CO+HCO 3.00E+10 .0 2868.0
- C3H2+O=C2H+HCO 6.80E+13 .0 .0
- H2C4O+H=C2H2+HCCO 5.00E+13 .0 3000.0
- H2C4O+OH=CH2CO+HCCO 1.00E+07 2.0 2000.0
- C2H6+CH3=C2H5+CH4 5.50E-01 4.0 8300.0
- C2H6+H=C2H5+H2 5.40E+02 3.5 5210.0
- C2H6+O=C2H5+OH 3.00E+07 2.0 5115.0
- C2H6+OH=C2H5+H2O 8.70E+09 1.1 1810.0
- C2H6+O2=C2H5+HO2 1.00E+13 .0 51000.0
- C2H6+HO2=C2H5+H2O2 3.00E+11 .0 11500.0
- HCO+C2H5=C2H6+CO 1.21E+14 .0 .0
- C2H4+C2H5=C2H3+C2H6 6.32E+02 3.1 18010.0
- 2CH3+M=C2H6+M 3.18E+41 -7.0 2762.0
- H2 /2.0/ CO/2.0/ CO2/3.0/ H2O /5.0/
- CH2+C2H6=CH3+C2H5 1.20E+14 .0 .0
- C2H6+HCO=C2H5+CH2O 4.70E+04 2.7 18233.0
- 2C2H5=C2H6+C2H4 1.39E+12 .0 .0
- C2H3+C2H5=C2H6+C2H2 4.82E+11 .0 .0
- C2H2+C2H5=C2H6+C2H 2.71E+11 .0 23446.6
- C2H5+O=C2H4+OH 5.00E+13 .0 .0
- C2H5+O=CH2O+CH3 1.61E+13 .0 .0
- HO2+C2H5=C2H4+H2O2 3.01E+11 .0 .0
- CH2(3)+CH3=C2H5 2.53E+20 -3.5 2030.0
- CH3+C2H5=C2H4+CH4 1.95E+13 -.5 .0
- CH3+CH2=C2H5 1.11E+19 -3.2 1780.0
- C2H+C2H5=C2H2+C2H4 1.81E+12 .0 .0
- C2H5+H=C2H4+H2 1.81E+12 .0 .0
- C2H5+H=CH3+CH3 1.00E+14 .0 .0
- C2H5+O2=C2H4+HO2 8.43E+11 .0 3875.0
- C2H4+H+M=C2H5+M 6.37E+27 -2.8 -54.0
- 2C2H4=C2H5+C2H3 4.82E+14 .0 71539.0
- C2H5+OH=C2H4+H2O 2.41E+13 .0 .0
- C2H5+HO2=CH3+CH2O+OH 2.40E+13 .0 .0
- CH2+C2H5=C2H4+CH3 9.03E+12 .0 .0
- CH2(3)+C2H5=CH3+C2H4 1.81E+13 .0 .0
- C2H4+M=C2H2+H2+M 2.60E+17 .0 79297.0
- C2H4+M=C2H3+H+M 1.40E+16 .0 82360.0
- C2H4+O=CH2O+CH2 2.51E+13 .0 5000.0
- C2H4+H=C2H3+H2 1.33E+06 2.5 12241.0
- 2CH2(3)=C2H4 1.11E+20 -3.4 2070.0
- CH2(3)+CH3=C2H4+H 4.20E+13 .0 .0
- CH3O+C2H3=CH2O+C2H4 2.41E+13 .0 .0
- CH2CO+CH2=C2H4+CO 1.60E+14 .0 .0
- C2H3+H2O2=C2H4+HO2 1.21E+10 .0 -596.0
- C2H3+CH2O=C2H4+HCO 5.43E+03 2.8 5862.0
- C2H3+CH2OH=C2H4+CH2O 3.01E+13 .0 .0
- CH3+CH2=C2H4+H 4.94E+13 -.1 94.0
- CH+CH4=C2H4+H 6.00E+13 .0 .0
- C2H4+O=CH3+HCO 1.60E+09 1.2 746.0
- C2H4+OH=C2H3+H2O 2.02E+13 .0 5955.0
- C2H4+OH=CH3+CH2O 1.05E+12 .0 -916.0
- C2H4+O2=C2H3+HO2 4.22E+13 .0 57594.0
- C2H4+CH3=C2H3+CH4 4.16E+12 .0 11127.2
- C2H4+O=OH+C2H3 1.51E+07 1.9 3736.0
- C2H4+C2H2=2C2H3 2.41E+13 .0 68360.0
- C2H3+HCO=C2H4+CO 9.04E+13 .0 .0
- C2H2+H2=C2H3+H 4.02E+15 -.6 65800.0
- C2H3+O=CH2CO+H 3.00E+13 .0 .0
- C2H3+O=C2H2+OH 3.00E+13 .0 .0
- C2H3+O=CO+CH3 3.00E+13 .0 .0
- CH+CH2(3)=C2H3 3.09E+14 -2.0 620.0
- CH+CH3=C2H3+H 3.00E+13 .0 .0
- CH2+CH2=C2H3+H 2.00E+13 .0 .0
- 2CH2(3)=C2H3+H 7.12E+21 -3.9 2460.0
- CH2OH+C2H2=C2H3+CH2O 7.30E+11 .0 9004.0
- C2H3+O=HCO+CH2 3.00E+13 .0 .0
- C2H3+O2=CH2O+HCO 4.00E+12 .0 -250.0
- C2H3+O2=C2H2+HO2 7.51E+14 -1.0 2376.0
- C2H3+OH=C2H2+H2O 2.00E+13 .0 .0
- C2H3+C2H=2C2H2 3.00E+13 .0 .0
- C2H3+CH=CH2(3)+C2H2 5.00E+13 .0 .0
- C2H3+CH3=C2H2+CH4 3.92E+11 .0 .0
- C2H3+CH2=CH3+C2H2 1.81E+13 .0 .0
- CH2(3)+C2H3=CH3+C2H2 1.81E+13 .0 .0
- C2H2+M=C2H+H+M 4.20E+16 .0 107000.0
- C2H2+O2=C2H+HO2 1.20E+13 .0 74475.0
- C2H2+H=CH+CH2 1.02E+16 .0 125076.0
- C2H+H2=C2H2+H 4.09E+05 2.4 864.0
- C2H3+M=C2H2+H+M 3.00E+15 .0 32006.0
- H2 /2.5/ H2O /16.0/ CO /1.9/ CO2 /3.8/ CH4 /16.0/ CH3OH /5.0/
- C2H2+OH=C2H+H2O 3.37E+07 2.0 14000.0
- C2H2+OH=HCCOH+H 5.04E+05 2.3 13500.0
- C2H2+OH=CH2CO+H 2.18E-04 4.5 -1000.0
- C2H2+OH=CH3+CO 4.83E-04 4.0 -2000.0
- CH3OH+C2H=CH3O+C2H2 1.21E+12 .0 .0
- CH3OH+C2H=CH2OH+C2H2 6.03E+12 .0 .0
- C2H+CH4=C2H2+CH3 1.81E+12 .0 497.0
- HCCO+CH=C2H2+CO 5.00E+13 .0 .0
- HCCO+HCCO=C2H2+2CO 1.00E+13 .0 .0
- HO2+C2H2=CH2CO+OH 6.03E+09 .0 7949.0
- HCO+C2H=C2H2+CO 6.03E+13 .0 .0
- C+CH3=C2H2+H 5.00E+13 .0 .0
- CH2+C2H2=CH2(3)+C2H2 4.00E+13 .0 .0
- CH2+CH2=C2H2+H2 3.01E+13 .0 .0
- CH3O+C2H=CH2O+C2H2 2.41E+13 .0 .0
- 2CH2(3)=C2H2+2H 4.97E+12 .2 -150.0
- 2CH2(3)=C2H2+H2 4.02E+14 -.5 480.0
- CH+CH2(3)=C2H2+H 2.50E+12 -3.7 4190.0
- C2H+CH2OH=C2H2+CH2O 3.61E+13 .0 .0
- C2H+C2H=C2H2+C2 1.81E+12 .0 .0
- C2H+CH2=CH+C2H2 1.81E+13 .0 .0
- C2H2+O=C2H+OH 3.16E+15 -.6 15000.0
- C2H2+O=CH2(3)+CO 1.40E+06 2.1 1562.0
- C2H2+O=HCCO+H 5.80E+06 2.1 1562.0
- CH2(3)+C2H=CH+C2H2 1.81E+13 .0 .0
- CH2CO+M=CH2(3)+CO+M 3.60E+15 .0 59235.0
- H2 /2.5/ H2O /16.0/ CO /1.9/ CO2 /3.8/ CH4 /16.0/ CH3OH /5.0/
- CH2CO+O=HCO+HCO 2.00E+13 .0 2293.0
- CH2CO+O=CH2+CO2 1.75E+12 .0 1350.0
- CH2CO+H=HCCO+H2 5.00E+13 .0 8000.0
- CH2CO+O=HCCO+OH 1.00E+13 .0 8000.0
- CH2O+CH=CH2CO+H 9.46E+13 .0 -515.0
- CH2+CO=CH2CO 6.21E+08 .0 .0
- CH2CO+OH=HCCO+H2O 7.50E+12 .0 2000.0
- CH2CO+OH=CH2O+HCO 2.80E+13 .0 .0
- CH2CO+OH=CH3O+CO 2.80E+13 .0 .0
- HCCOH+H=CH2CO+H 1.00E+13 .0 .0
- HCCO+H=CH2+CO 1.00E+14 .0 .0
- HCCO+O=2CO+H 1.00E+14 .0 .0
- HCCO+H=HCCOH 7.42E+38 -8.4 6150.0
- HCCO+OH=C2O+H2O 3.00E+13 .0 .0
- HCCO+O2=2CO+OH 1.46E+12 .0 2500.0
- HO2+C2H=HCCO+OH 1.81E+13 .0 .0
- C2H+O2=HCCO+O 5.00E+13 .0 1500.0
- C2H+OH=HCCO+H 2.00E+13 .0 .0
- C2H+M=C2+H+M 4.68E+16 .0 124000.0
- C2H+O=CO+CH 5.00E+13 .0 .0
- C2H+O2=HCO+CO 2.41E+12 .0 .0
- C2H+O2=H+CO+CO 3.52E+13 .0 .0
- C2H+OH=CH2+CO 1.81E+13 .0 .0
- C2H+OH=C2+H2O 4.00E+07 2.0 8000.0
- C+CH2(3)=C2H+H 5.00E+13 .0 .0
- CH+CH2(3)=C2H+2H 5.49E+22 -2.4 11520.0
- C2+H2=C2H+H 4.00E+05 2.4 1000.0
- C2O+H=CH+CO 5.00E+13 .0 .0
- C2O+O=CO+CO 5.00E+13 .0 .0
- C2O+OH=CO+CO+H 2.00E+13 .0 .0
- C2O+O2=2CO+O 2.00E+13 .0 .0
- C2+OH=C2O+H 5.00E+13 .0 .0
- C2+O2=2CO 5.00E+13 .0 .0
- CH4+O2=CH3+HO2 7.94E+13 .0 56000.0
- CH4+H=CH3+H2 5.47E+07 2.0 11210.0
- CH4+OH=CH3+H2O 5.72E+06 2.0 2639.0
- CH4+HO2=CH3+H2O2 1.81E+11 .0 18580.0
- CH3OH+M=CH3+OH+M 3.50E+16 .0 66444.0
- CH3OH+M=CH2OH+H+M 1.75E+15 .0 66444.0
- CH3OH+M=CH2+H2O+M 7.00E+15 .0 66444.0
- CH3OH+CH3=CH2OH+CH4 3.19E+01 3.2 7172.0
- CH3OH+CH3=CH3O+CH4 1.45E+01 3.1 6935.0
- CH3OH+HO2=H2O2+CH2OH 9.64E+10 .0 12579.0
- CH3OH+O=OH+CH2OH 3.80E+05 2.5 3080.0
- CH3OH+O=OH+CH3O 1.00E+13 .0 4684.0
- CH3OH+O2=CH2OH+HO2 2.05E+13 .0 44717.0
- CH3OH+OH=H2O+CH2OH 1.00E+13 .0 1697.0
- CH3OH+OH=H2O+CH3O 1.00E+13 .0 1697.0
- CH3OH+CH2OH=CH3OH+CH3O 7.83E+09 .0 12062.0
- CH3OH+H=CH2OH+H2 3.98E+13 .0 6095.0
- CH3OH+H=CH3O+H2 3.98E+13 .0 6095.0
- CH3OH+CH2(3)=CH2OH+CH3 1.58E+12 .0 5736.0
- CH3O+M=CH2O+H+M 9.37E+24 -2.7 30590.0
- CH3O+H=CH2O+H2 2.00E+13 .0 .0
- CH3O+OH=CH2O+H2O 1.00E+13 .0 .0
- CH3O+O=CH2O+OH 1.00E+13 .0 .0
- CH3O+O2=CH2O+HO2 6.30E+10 .0 2600.0
- CH3O+HO2=CH2O+H2O2 3.01E+11 .0 .0
- CH3O+CO=CH3+CO2 1.75E+13 .0 11797.0
- CH2OH+M=CH2O+H+M 1.67E+24 -2.5 34190.0
- CH2OH+O=CH2O+OH 1.00E+13 .0 .0
- CH2OH+O2=CH2O+HO2 2.41E+14 .0 5000.0
- CH2OH+OH=CH2O+H2O 1.00E+13 .0 .0
- CH2OH+H=CH2O+H2 2.00E+13 .0 .0
- CH2OH+HO2=CH2O+H2O2 1.20E+13 .0 .0
- CH2OH+HCO=CH3OH+CO 1.20E+14 .0 .0
- CH2OH+CH2O=CH3OH+HCO 5.54E+03 2.8 5682.0
- 2CH2OH=CH3OH+CH2O 4.82E+12 .0 .0
- CH2OH+HCO=2CH2O 1.81E+14 .0 .0
- CH3+M=CH+H2+M 6.90E+14 .0 82500.0
- H+CH3(+M)=CH4(+M) 1.00E+17 -.8 315.0
- LOW /.70000E+34 -.48800E+01 .22250E+04/
- TROE /.70860E+00 .13400E+03 .17840E+04 .57400E+04/
- H2 /2.0/ H2O /6.0/ CH4 /2.0/ CO /1.5/ CO2 /2.0/ C2H6 /3.0/ AR /0.7/
- CH3+HO2=CH3O+OH 2.00E+13 .0 1076.0
- CH3+O=CH2O+H 6.03E+13 .0 .0
- CH3+O=CH3O 1.78E+14 -2.1 603.0
- CH3+O2=CH3O+O 7.26E+11 .4 27363.0
- CH3+O2=CH2OH+O 1.29E+13 .0 26900.0
- CH3+OH=CH3OH 1.24E+43 -9.5 10471.0
- CH3+OH=CH2OH+H 1.09E+11 .4 -708.0
- CH3+OH=CH3O+H 8.93E+11 .0 13073.0
- CH3+OH=CH2(3)+H2O 7.50E+06 2.0 5000.0
- CH3+OH=CH2O+H2 3.98E+10 .0 8765.0
- CH3+HO2=CH2OH+OH 2.00E+13 .0 .0
- CH3+HCO=CH4+CO 1.20E+14 .0 .0
- CH3+CH2OH=CH4+CH2O 2.41E+12 .0 .0
- CH3+CH3O=CH4+CH2O 2.41E+13 .0 .0
- CH3+CH2O=CH4+HCO 5.54E+03 2.8 5863.0
- CH2(3)+H+M=CH3+M 2.40E+31 -4.4 .0
- CH2(3)+H=CH+H2 1.00E+18 -1.6 .0
- CH2(3)+O=CO+2H 5.00E+13 .0 .0
- CH2(3)+O=CO+H2 3.00E+13 .0 .0
- CH2(3)+O2=CO2+2H 1.60E+12 .0 1000.0
- CH2(3)+O2=CH2O+O 5.00E+13 .0 9000.0
- CH2(3)+O2=CO2+H2 6.90E+11 .0 500.0
- CH2(3)+O2=CO+H2O 1.90E+10 .0 -1000.0
- CH2(3)+O2=CO+OH+H 8.60E+10 .0 -500.0
- CH2(3)+O2=HCO+OH 4.30E+10 .0 -500.0
- CH2(3)+OH=CH+H2O 1.13E+07 2.0 3000.0
- CH2(3)+OH=CH2O+H 2.50E+13 .0 .0
- CH2(3)+CO2=CH2O+CO 1.10E+11 .0 1000.0
- CH2+M=CH2(3)+M 1.00E+13 .0 .0
- H /0./ H2O /0./ C2H2 /0.0/
- CH2(3)+HCO=CH3+CO 1.81E+13 .0 .0
- CH2(3)+CH3O=CH3+CH2O 1.81E+13 .0 .0
- CH2+CH4=2CH3 4.00E+13 .0 .0
- CH2+H2=CH3+H 7.00E+13 .0 .0
- CH2+H2O=CH2(3)+H2O 3.00E+13 .0 .0
- CH2+H=CH2(3)+H 2.00E+14 .0 .0
- CH2+O=H+H+CO 3.00E+13 .0 .0
- CH2+O=H2+CO 7.83E+12 .0 .0
- CH2+O2=CO2+2H 7.83E+12 .0 .0
- CH2+O2=O+CH2O 7.83E+12 .0 .0
- CH2+O2=H2+CO2 7.83E+12 .0 .0
- CH2+O2=H+CO+OH 7.83E+12 .0 .0
- CH2+OH=CH2O+H 3.01E+13 .0 .0
- CH2+H=CH+H2 3.01E+13 .0 .0
- CH2+CO2=CH2O+CO 3.00E+12 .0 .0
- CH2+HO2=CH2O+OH 3.01E+13 .0 .0
- CH2+H2O2=CH3O+OH 3.01E+13 .0 .0
- CH2+HCO=CO+CH3 1.81E+13 .0 .0
- CH2+CH2O=HCO+CH3 1.20E+12 .0 .0
- CH2+O=CH+OH 3.00E+14 .0 11923.0
- CH2O+OH=HCO+H2O 3.43E+09 1.2 -447.0
- CH2O+H=HCO+H2 2.19E+08 1.8 3000.0
- CH2O+M=HCO+H+M 3.31E+16 .0 81000.0
- CH2O+O=HCO+OH 1.80E+13 .0 3080.0
- CH2O+O2=HO2+HCO 1.23E+06 3.0 52000.0
- CH2O+HO2=HCO+H2O2 4.40E+06 2.0 12000.0
- CH+O=C+OH 1.52E+13 .0 4732.0
- CH+O=CO+H 5.70E+13 .0 .0
- CH+O2=CO+OH 3.30E+13 .0 .0
- CH+O2=HCO+O 3.30E+13 .0 .0
- CH+OH=HCO+H 3.00E+13 .0 .0
- CH+OH=C+H2O 4.00E+07 2.0 3000.0
- CH+CO2=HCO+CO 3.40E+12 .0 690.0
- CH+H=C+H2 1.50E+14 .0 .0
- CH+H2O=CH2O+H 1.17E+15 -.8 .0
- CH+H2O=CH2OH 5.71E+12 .0 -755.0
- C+O2=CO+O 2.00E+13 .0 .0
- C+OH=CO+H 5.00E+13 .0 .0
- HCO+O=CO2+H 3.00E+13 .0 .0
- HCO+O2=CO2+OH 3.31E+12 -.4 .0
- HCO+HO2=CO2+OH+H 3.00E+13 .0 .0
- HCO+CH3O=CH3OH+CO 9.04E+13 .0 .0
- 2HCO=CH2O+CO 4.50E+13 .0 .0
- HCO+O2=CO+HO2 3.30E+13 -.4 .0
- HCO+OH=CO+H2O 3.02E+13 .0 .0
- HCO+M=H+CO+M 2.50E+14 .0 16802.0
- HCO+H=CO+H2 2.00E+14 .0 .0
- HCO+O=CO+OH 3.00E+13 .0 .0
- 2HCO=2CO+H2 3.01E+12 .0 .0
- CO+O+M=CO2+M 2.51E+13 .0 -4540.0
- CO+OH=CO2+H 3.09E+11 .0 735.0
- CO+O2=CO2+O 2.51E+12 .0 47690.0
- CO+HO2=CO2+OH 6.03E+13 .0 22950.0
- H2O2+M=OH+OH+M 1.20E+17 .0 45500.0
- H2O2+H=HO2+H2 4.79E+13 .0 7950.0
- H2O2+H=OH+H2O 1.00E+13 .0 3590.0
- H2O2+O=OH+HO2 9.55E+06 2.0 3970.0
- H2O2+O=O2+H2O 9.55E+06 2.0 3970.0
- HO2+H=H2O+O 3.00E+13 .0 1070.0
- HO2+H=H2+O2 6.61E+13 .0 2130.0
- HO2+H=OH+OH 1.40E+14 .0 1073.0
- HO2+OH=H2O+O2 7.50E+12 .0 .0
- HO2+HO2=H2O2+O2 2.00E+12 .0 .0
- H2+OH=H2O+H 2.14E+08 1.5 3430.0
- H2+O2=OH+OH 1.70E+13 .0 47780.0
- H+O2=OH+O 1.91E+14 .0 16440.0
- H+O2+M=HO2+M 3.61E+17 -.7 .0
- H2O /18.6/ CO2 /4.2/ H2 /2.9/ CO /2.1/
- 2H+M=H2+M 1.00E+18 -1.0 .0
- 2H+H2=2H2 9.20E+16 -.6 .0
- 2H+H2O=H2+H2O 6.00E+19 -1.2 .0
- 2H+CO2=H2+CO2 5.49E+20 -2.0 .0
- H+OH+M=H2O+M 2.24E+22 -2.0 .0
- H+O+M=OH+M 6.02E+16 -.6 .0
- H2O /5.0/
- OH+H2O2=H2O+HO2 7.08E+12 .0 1430.0
- OH+OH=O+H2O 1.23E+04 2.6 -1878.0
- O+HO2=OH+O2 1.74E+13 .0 -400.0
- O+H2=OH+H 5.13E+04 2.7 6290.0
- O+O+M=O2+M 6.17E+15 -.5 .0
- O+OH+M=HO2+M 1.00E+17 .0 .0
-END
diff --git a/applications/test/readCHEMKINIII/CHEMKINdata/chem.inp_c8h18_egr b/applications/test/readCHEMKINIII/CHEMKINdata/chem.inp_c8h18_egr
deleted file mode 100644
index c6e1d74..0000000
--- a/applications/test/readCHEMKINIII/CHEMKINdata/chem.inp_c8h18_egr
+++ /dev/null
@@ -1,754 +0,0 @@
-ELEMENTS
- H O C N AR
-END
-SPECIES
-H H2 H2O H2O2 HO2 HCO HCCO
-O O2 OH CO CO2 CH2O CH4
-CH3 CH3O CH2CO CH2 CH CH3OH CH2OH
-CH3CHO CH3CO C2H6 C2H5 C2H4 C2H3 C2H2
-C2H C3H8 C3H6 C3H5 C3H4 C4H3 C4H2
-C4H C4H10 IC4H7 C4H6 C5H10 C6H11 C6H12
-C6H10 IC3H7 IC4H8 IC4H9 PC4H9 SC4H9
-!
-IC8H18 IC8H16 IC7H15
-IC7H13 IC4H10 NC3H7 PC4H8
-SC4H8 TC4H9 AC8H17 BC8H17 CC8H17 DC8H17 AC7H14
-CC7H14 NEOC5H11 NEOC5H11O2 NEOC5H11O NEOC5H11O2H NEOC5H10OOH
-R1C8H17OO R2C8H17OO C8H16OOH R1C8H16OOHOO R2C8H16OOHOO C8H15O4H2
-C7H14CHO(OOH) C6H13CHO C6H13CO IC6H13
-N2 N N2O NO NO2 AR
-END
-THERMO
-CH3CHO 120186C 2O 1H 4 0G 0300.00 5000.00 1000.00 1
- 0.05868650E+02 0.01079424E+00-0.03645530E-04 0.05412912E-08-0.02896844E-12 2
--0.02264569E+06-0.06012946E+02 0.02505695E+02 0.01336991E+00 0.04671953E-04 3
--0.01128140E-06 0.04263566E-10-0.02124589E+06 0.01335089E+03 4
-CH3CO T 9/92C 2H 3O 1 0G 200.000 6000.00 1000.0 1
- 0.59447731E+01 0.78667205E-02-0.28865882E-05 0.47270875E-09-0.28599861E-13 2
--0.37873075E+04-0.50136751E+01 0.41634257E+01-0.23261610E-03 0.34267820E-04 3
--0.44105227E-07 0.17275612E-10-0.26574529E+04 0.73468280E+01-0.12027167E+04 4
-C3H6 PROPYLENE L 4/85C 3H 6 0 0G 300.000 5000.00 1000.0 1
- 0.67213974E 01 0.14931757E-01-0.49652353E-05 0.72510753E-09-0.38001476E-13 2
--0.92453149E 03-0.12155617E 02 0.14575157E 01 0.21142263E-01 0.40468012E-05 3
--0.16319003E-07 0.70475153E-11 0.10740208E 04 0.17399460E 02 0.24557265E 04 4
-C3H5 SYMMETRIC T 9/96C 3H 5 0 0G 200.000 6000.00 1000.0 1
- 0.70094568D+01 0.13106629D-01-0.46533442D-05 0.74514323D-09-0.44350051D-13 2
- 0.16412909D+05-0.13946114D+02 0.14698036D+01 0.19034365D-01 0.14480425D-04 3
--0.35468652D-07 0.16647594D-10 0.18325831D+05 0.16724114D+02 0.19675772D+05 4
-C3H8 PROPANE L 4/85C 3H 8 0 0G 300.000 5000.00 1000.0 1
- 0.75341368E 01 0.18872239E-01-0.62718491E-05 0.91475649E-09-0.47838069E-13 2
--0.16467516E 05-0.17892349E 02 0.93355381E 00 0.26424579E-01 0.61059727E-05 3
--0.21977499E-07 0.95149253E-11-0.13958520E 05 0.19201691E 02-0.12489986E 05 4
-C3H4 ALLENE L 8/89C 3H 4 0 0G 200.000 6000.00 1000.0 1
- 0.63168722E+01 0.11133728E-01-0.39629378E-05 0.63564238E-09-0.37875540E-13 2
- 0.20117495E+05-0.10995766E+02 0.26130445E+01 0.12122575E-01 0.18539880E-04 3
--0.34525149E-07 0.15335079E-10 0.21541567E+05 0.10226139E+02 0.22962267E+05 4
-C4H3 L 9/89C 4H 3 0 0G 300.000 5000.000 1000.00 1
- 0.84762079E+01 0.88782327E-02-0.30328412E-05 0.47358302E-09-0.27716627E-13 2
- 0.54756540E+05-0.17170551E+02 0.24173247E+01 0.24104782E-01-0.12813470E-04 3
--0.28606237E-08 0.39194527E-11 0.56506476E+05 0.14471107E+02 0.58181574E+05 4
-C4H10 62090C 4H 10 0G 0300.00 4000.00 1500.00 1
- 0.01998785E+03 0.01037281E+00-0.09610818E-05-0.04623018E-08 0.08202828E-12 2
--0.02625571E+06-0.08837907E+03-0.02256618E+02 0.05881732E+00-0.04525783E-03 3
- 0.02037115E-06-0.04079458E-10-0.01760233E+06 0.03329595E+03 4
-C4H7 2/14/95 C 4H 7 0 0G 300.000 5000.000 1392.00 1
- 0.90657617E+01 0.19477743E-01-0.73385554E-05 0.12863733E-08-0.85601393E-13 2
- 0.10187905E+05-0.24022063E+02-0.34391326E+01 0.67889035E-01-0.92118162E-04 3
- 0.75423011E-07-0.25411345E-10 0.13278011E+05 0.37956421E+02 0.14593283E+05 4
-IC4H7 CH2=CHCHCH3 C 4H 70 00 0G 300.00 3000.00 1000.00 1
- 0.5521420E+01 0.2683684E-01 -0.1286430E-04 0.3088640E-08 -0.3030856E-12 2
- 0.1198044E+05 -0.4495640E+01 -0.1080514E+01 0.4638686E-01 -0.3464697E-04 3
- 0.1401374E-07 -0.2395040E-11 0.1375538E+05 0.2933150E+02 4
-C5H10 12/52C 5H 10 0 0G 300.000 5000.000 1000.00 1
- 0.12541454E 02 0.23941070E-01-0.77445529E-05 0.11157970E-08-0.57968116E-13 2
--0.87175352E 04-0.39854187E 02 0.17627859E 01 0.38902789E-01 0.58380774E-05 3
--0.30547188E-07 0.13839465E-10-0.48109883E 04 0.19929169E 02-0.25594116E 04 4
-C6H11 2/14/95 C 6H 11 0 0G 300.000 5000.000 1388.00 1
- 1.73781063E+01 2.52715626E-02-8.74710351E-06 1.36884407E-09-7.98569285E-14 2
- 1.33730775E+03-6.77269441E+01-1.78981302E+00 6.71660911E-02-4.34180588E-05 3
- 1.43931014E-08-1.96953043E-12 8.35230470E+03 3.63570478E+01 4
-C6H10 C 6H 10N 0O 0G 300.00 5000.00 1000.00 1
- 0.12656940E+02 0.28236120E-01-0.10406250E-04 0.18530920E-08-0.12592180E-12 2
- 0.39164010E+04-0.38104860E+02-0.94988270E+00 0.60725200E-01-0.30414580E-04 3
--0.35837280E-08 0.64369670E-11 0.79947620E+04 0.33574390E+02 4
-IC3H7 I-L 9/84C 3H 7 0 0G 300.000 5000.00 1000.0 1
- 0.65294638E 01 0.17193288E-01-0.57153220E-05 0.83408080E-09-0.43663532E-13 2
- 0.77179102E 04-0.91399021E 01 0.14461584E 01 0.20988975E-01 0.77172672E-05 3
--0.18481391E-07 0.71269024E-11 0.98206094E 04 0.20108200E 02 0.11221480E 05 4
-IC4H8 5/27/97 THERMC 4H 8 0 0G 300.000 5000.000 1388.000 1
- 1.12258330E+01 1.81795798E-02-6.20348592E-06 9.61444458E-10-5.57088057E-14 2
--7.69983777E+03-3.73306704E+01 9.38433173E-01 3.90547287E-02-2.16437148E-05 3
- 5.87267077E-09-6.14435479E-13-3.74817891E+03 1.91442985E+01 4
-IC4H9 9/19/91 THERMC 4H 9 0 0G 300.000 5000.000 1393.00 1
- 1.22753162E+01 1.95174006E-02-6.68773001E-06 1.03935193E-09-6.03374502E-14 2
- 1.69244882E+03-4.08932742E+01-1.00837472E+00 5.01087003E-02-3.41941210E-05 3
- 1.26025783E-08-1.97552053E-12 6.42407431E+03 3.07281021E+01 4
-IC4H10 9/19/91 THERMC 4H 10 0 0G 300.000 5000.000 1389.00 1
- 1.25733114E+01 2.18926418E-02-7.52538350E-06 1.17205495E-09-6.81446681E-14 2
--2.31696746E+04-4.68044254E+01-1.01277508E+00 5.04683181E-02-3.00502072E-05 3
- 9.15435582E-09-1.15326683E-12-1.80495698E+04 2.74256872E+01 4
-NC3H7 N-L 9/84C 3H 7 0 0G 300.000 5000.00 1000.0 1
- 0.77026987E 01 0.16044203E-01-0.52833220E-05 0.76298590E-09-0.39392284E-13 2
- 0.82984336E 04-0.15480180E 02 0.10515518E 01 0.25991980E-01 0.23800540E-05 3
--0.19609569E-07 0.93732470E-11 0.10631863E 05 0.21122559E 02 0.12087447E 05 4
-IC8H18 4/85C 8.H 18. 0. 0.G 300.000 5000.00 1000.00 1
- 0.23503891E 02 0.39657507E-01-0.13128325E-04 0.19592787E-08-0.10658157E-12 2
--0.36518059E 05-0.95243149E 02 0.18952761E 01 0.69645584E-01 0.14661359E-04 3
--0.60905563E-07 0.26589383E-10-0.28789637E 05 0.24422028E 02-0.25107010E 05 4
-IC8H16 12/52C 8.H 16. 0. 0.G 300.000 5000.00 1000.00 1
- 0.20831284E 02 0.38294513E-01-0.12417870E-04 0.17957589E-08-0.93705913E-13 2
--0.20133141E 05-0.79240051E 02 0.26075478E 01 0.64282537E-01 0.92502323E-05 3
--0.51046708E-07 0.23316557E-10-0.13597527E 05 0.21584656E 02-0.99738727E 04 4
-IC7H15 10/83C 7H 15 0 0G 200.000 5000.00 1000.00 1
- 0.12660566E+02 0.47893065E-01-0.19735835E-04 0.37298693E-08-0.26299814E-12 2
--0.64258434E+04-0.34510489E+02 0.10280414E+02 0.70155356E-03 0.15955135E-03 3
--0.20959318E-06 0.83344532E-10-0.36030731E+04-0.10315257E+02 0.52799263E+03 4
-IC6H13 10/83C 6H 13 0 0G 300.000 5000.00 1000.00 1
- 0.12759770E 02 0.37134279E-01-0.14256110E-04 0.25052556E-08-0.16459707E-12 2
--0.35693750E 04-0.36999527E 02 0.23062353E 01 0.50200045E-01 0.79387773E-05 3
--0.41260655E-07 0.18794369E-10 0.10269711E 03 0.20896637E 02 0.30188548E 04 4
-C6H12 2/14/95 C 6.H 12.O 0. 0.G 300.000 5000.000 1
- 1.78337529e+01 2.67377658e-02-9.10036773e-06 1.40819768e-09-8.15124244e-14 2
--1.42062860e+04-6.83818851e+01-1.35275205e+00 6.98655426e-02-4.59408022e-05 3
- 1.56967343e-08-2.21296175e-12-7.34368617e+03 3.53120691e+01 4
-PC4H8 6/83C 4H 8 0 0G 300.000 5000.00 1000.0 1
- 0.20535841E+01 0.34350507E-01-0.15883197E-04 0.33089662E-08-0.25361045E-12 2
--0.21397231E+04 0.15556360E+02 0.11811380E+01 0.30853380E-01 0.50865247E-05 3
--0.24654888E-07 0.11110193E-10-0.17904004E+04 0.21075639E+02-0.06494670E+03 4
-SC4H8 6/83C 4H 8 0 0G 300.000 5000.00 1000.0 1
- 0.20535841E+01 0.34350507E-01-0.15883197E-04 0.33089662E-08-0.25361045E-12 2
--0.21397231E+04 0.15556360E+02 0.11811380E+01 0.30853380E-01 0.50865247E-05 3
--0.24654888E-07 0.11110193E-10-0.17904004E+04 0.21075639E+02-0.06494670E+03 4
-IC7H13 2/10/95 C 7H 13 0 0G 300.000 5000.000 1392.000 1
- 2.06977799E+01 2.93585249E-02-9.99754351E-06 1.54773305E-09-8.96230815E-14 2
--1.23454647E+03-8.35627043E+01-2.01707658E+00 8.08915559E-02-5.43383904E-05 3
- 1.88066108E-08-2.66059253E-12 6.81102828E+03 3.89797235E+01 4
-PC4H9 1/14/95 THERMC 4H 9 0 0G 300.000 5000.000 1395.00 1
- 1.21510082E+01 1.94310717E-02-6.61577950E-06 1.02375136E-09-5.92529707E-14 2
- 3.17231942E+03-3.93425822E+01-4.37779725E-01 4.78972364E-02-3.14023159E-05 3
- 1.09786472E-08-1.62010664E-12 7.68945248E+03 2.86852732E+01 4
-SC4H9 1/14/95 THERMC 4H 9 0 0G 300.000 5000.000 1373.00 1
- 1.18293992E+01 1.94203812E-02-6.55835141E-06 1.00989031E-09-5.82693176E-14 2
- 1.79315973E+03-3.68210535E+01 7.70280143E-01 3.86280904E-02-1.57100260E-05 3
- 7.16860109E-10 7.00801289E-13 6.28812837E+03 2.49106489E+01 4
-TC4H9 9/19/91 THERMC 4H 9 0 0G 300.000 5000.000 1381.00 1
- 9.94382112E+00 2.16693078E-02-7.47001405E-06 1.16578454E-09-6.78791834E-14 2
--4.06100251E+02-2.98153785E+01-2.73729204E+00 4.55390345E-02-2.26390939E-05 3
- 4.56951052E-09-1.55321795E-13 4.65498223E+03 4.04683378E+01 4
-AC8H17 C 8H 17O 0 G 0300.00 5000.00 1000.00 1
- 1.65781E+01 4.79568E-02 -1.58330E-05 2.45887E-09 -1.47904E-13 2
--1.13886E+04 -5.77977E+01 -2.45792E+00 1.00416E-01 -5.52412E-05 3
- 8.18171E-10 7.48841E-12 -6.56307E+03 3.95814E+01 4
-BC8H17 C 8H 17O 0 G 0300.00 5000.00 1000.00 1
- 1.62241E+01 4.79657E-02 -1.57712E-05 2.44271E-09 -1.46688E-13 2
--1.16619E+04 -5.66316E+01 -2.80712E+00 1.03796E-01 -6.59900E-05 3
- 1.23120E-08 3.42374E-12 -6.98775E+03 3.99281E+01 4
-CC8H17 C 8H 17O 0 G 0300.00 5000.00 1000.00 1
- 1.54473E+01 4.88291E-02 -1.61009E-05 2.49663E-09 -1.49924E-13 2
--1.33788E+04 -5.27801E+01 -8.35087E-01 9.07781E-02 -3.96894E-05 3
--1.04780E-08 1.07794E-11 -9.15033E+03 3.11321E+01 4
-DC8H17 C 8H 17O 0 G 0300.00 5000.00 1000.00 1
- 1.65979E+01 4.79226E-02 -1.58133E-05 2.45430E-09 -1.47533E-13 2
--1.27049E+04 -5.83133E+01 -2.57455E+00 1.01220E-01 -5.71585E-05 3
- 2.71860E-09 6.82038E-12 -7.85889E+03 3.96706E+01 4
-AC7H14 12/52C 7H 14 0 0G 298.150 5000.00 1000.00 1
- 0.13952881E+02 0.41712158E-01-0.16157950E-04 0.29187538E-08-0.19958112E-12 2
--0.14853311E+05-0.43649205E+02 0.19140427E+01 0.58601697E-01 0.16939333E-05 3
--0.38140418E-07 0.18157007E-10-0.10616395E+05 0.22793909E+02-0.74928962E+04 4
-CC7H14 12/52C 7H 14 0 0G 298.150 5000.00 1000.00 1
- 0.13952881E+02 0.41712158E-01-0.16157950E-04 0.29187538E-08-0.19958112E-12 2
--0.14853311E+05-0.43649205E+02 0.19140427E+01 0.58601697E-01 0.16939333E-05 3
--0.38140418E-07 0.18157007E-10-0.10616395E+05 0.22793909E+02-0.74928962E+04 4
-NEOC5H11 8/ 8/95 THERMC 5H 11 0 0G 300.000 5000.000 1396.00 1
- 1.66238394E+01 2.27037884E-02-7.71624835E-06 1.19289853E-09-6.90060600E-14 2
--3.96463755E+03-6.44711904E+01-1.58140132E+00 6.57175067E-02-4.68120314E-05 3
- 1.74732793E-08-2.68709925E-12 2.30933742E+03 3.31296742E+01 4
-NEOC5H11O2 7/13/98 C 5H 11O 2 0G 300.000 5000.000 1396.000 1
- 2.02157247e+01 2.45786365e-02-8.41704919e-06 1.30775217e-09-7.59095109e-14 2
--2.31877371e+04-8.01387611e+01 7.30403748e-01 7.05036948e-02-5.02866599e-05 3
- 1.89083885e-08-2.94948183e-12-1.64308023e+04 2.44155402e+01 4
-NEOC5H11O2H 7/13/98 C 5H 12O 2 0G 300.000 5000.000 1399.000 1
- 2.26835440e+01 2.46838700e-02-8.47310667e-06 1.31876182e-09-7.66483771e-14 2
--4.12877712e+04-9.44344738e+01-1.38233642e-01 7.89911468e-02-5.79776533e-05 3
- 2.18789315e-08-3.35549515e-12-3.34973569e+04 2.77192466e+01 4
-NEOC5H11O 7/25/95 C 5H 11O 1 0G 300.000 5000.000 1399.00 1
- 1.91195281e+01 2.30837786e-02-7.83941709e-06 1.21152000e-09-7.00727365e-14 2
--2.15314869e+04-7.85283647e+01-2.41265702e+00 7.56872456e-02-5.73116804e-05 3
- 2.24731318e-08-3.58123651e-12-1.43300707e+04 3.62184819e+01 4
-NEOC5H10OOH 7/13/98 C 5H 11O 2 0G 300.000 5000.000 1398.000 1
- 2.22450472e+01 2.26188828e-02-7.78497419e-06 1.21384469e-09-7.06396166e-14 2
--1.62363251e+04-8.81677091e+01 5.91196875e-01 7.45002878e-02-5.55445714e-05 3
- 2.13010197e-08-3.32171399e-12-8.87531001e+03 2.76174107e+01 4
-R1C8H17OO C 8H 17O 2 G 0300.00 5000.00 1000.00 1
- 2.61790E+01 4.02621E-02 -1.21840E-05 1.77416E-09 -1.01822E-13 2
--3.13354E+04 -1.06205E+02 -1.33130E+00 1.07392E-01 -5.66082E-05 3
--2.14473E-09 8.62014E-12 -2.33465E+04 3.80377E+01 4
-R2C8H17OO C 8H 17O 2 G 0300.00 5000.00 1000.00 1
- 2.62593E+01 4.03680E-02 -1.22510E-05 1.78708E-09 -1.02664E-13 2
--3.33124E+04 -1.07806E+02 2.94226E+00 7.88952E-02 1.36336E-05 3
--7.23591E-08 3.30247E-11 -2.59761E+04 1.82269E+01 4
-C8H16OOH C 8H 17O 2 G 0300.00 5000.00 1000.00 1
- 2.59673E+01 3.94986E-02 -1.17491E-05 1.69063E-09 -9.62759E-14 2
--2.86414E+04 -1.02359E+02 4.63771E+00 7.70682E-02 5.46587E-06 3
--6.02176E-08 2.84759E-11 -2.20723E+04 1.22966E+01 4
-R1C8H16OOHOO C 8H 17O 4 G 0300.00 5000.00 1000.00 1
- 3.12917E+01 3.92720E-02 -1.14955E-05 1.63072E-09 -9.17048E-14 2
--4.28382E+04 -1.25286E+02 7.66149E-01 1.15621E-01 -6.49312E-05 3
- 3.70399E-10 8.77610E-12 -3.41337E+04 3.41493E+01 4
-R2C8H16OOHOO C 8H 17O 4 G 0300.00 5000.00 1000.00 1
- 3.11894E+01 3.96996E-02 -1.17505E-05 1.68813E-09 -9.62085E-14 2
--4.47408E+04 -1.25460E+02 4.88546E+00 8.81941E-02 2.74357E-06 3
--6.72842E-08 3.22758E-11 -3.67468E+04 1.53975E+01 4
-C8H15O4H2 C 8H 17O 4 G 0300.00 5000.00 1000.00 1
- 3.10304E+01 3.86064E-02 -1.11232E-05 1.56165E-09 -8.72809E-14 2
--4.01259E+04 -1.20761E+02 6.53997E+00 8.66547E-02 -6.12155E-06 3
--5.44439E-08 2.74796E-11 -3.28388E+04 9.64038E+00 4
-C7H14CHO(OOH) C 8H 16O 3 G 0300.00 5000.00 1000.00 1
- 2.34007E+01 4.58018E-02 -1.53548E-05 2.41072E-09 -1.46115E-13 2
--5.82798E+04 -8.43852E+01 -1.22819E+00 1.10258E-01 -6.32868E-05 3
- 2.95991E-09 7.38667E-12 -5.15453E+04 4.31889E+01 4
-C6H13CHO C 7H 14O 1 G 0300.00 5000.00 1000.00 1
- 1.98891043e+01 2.71869340e-02-9.27391515e-06 1.43744158e-09-8.33090761e-14 2
--3.97523444e+04-7.60741671e+01 1.37517192e+00 6.65669689e-02-4.04423050e-05 3
- 1.23836270e-08-1.52905857e-12-3.28740986e+04 2.48343934e+01 4
-C6H13CO C 7H 13O 1 G 0300.00 5000.00 1000.00 1
- 1.94783812e+01 2.50466029e-02-8.54861346e-06 1.32557944e-09-7.68503296e-14 2
--2.07923937e+04-7.21995578e+01 2.14479069e+00 6.17863563e-02-3.74134690e-05 3
- 1.13283795e-08-1.36917698e-12-1.43451172e+04 2.23128045e+01 4
-C5H11 T03/97C 5.H 11. 0. 0.G 298.150 5000.00 1000.00 1
- 1.13324106E+01 3.03659897E-02-1.13934480E-05 1.99539733E-09-1.32825012E-13 2
--5.95299959E+03-3.13564905E+01 3.57867617E+00 3.04236365E-02 3.27768270E-05 3
--5.86453147E-08 2.39315107E-11-2.60420265E+03 1.42591121E+01 6.68760000E+03 4
-END
-REACTIONS
-H+O2=O+OH 5.13E+16 -0.8 16510.0 !1
-H2+O=H+OH 1.82E+10 1.0 8900.0 !2
-H2O+O=OH+OH 6.76E+13 0.0 18350.0 !3
-H2O+H=H2+OH 9.55E+13 0.0 20300.0 !4
-H2O2+OH=H2O+HO2 1.00E+13 0.0 1800.0 !5
-H2O+M=H+OH+M 2.19E+16 0.0 105000.0 !6
- H2O/2.0E+01/
-H+O2+M=HO2+M 1.66E+15 0.0 -1000.0 !7
- H2O/2.1E+01/ CO2/5.0E+00/ CO/2.00E+00/ H2/3.3E+00/
-HO2+O=OH+O2 5.01E+13 0.0 1000.0 !8
-HO2+H=OH+OH 2.51E+14 0.0 1900.0 !9
-HO2+H=H2+O2 2.51E+13 0.0 700.0 !10
-HO2+OH=H2O+O2 5.01E+13 0.0 1000.0 !11
-H2O2+O2=HO2+HO2 3.98E+13 0.0 42640.0 !12
-H2O2(+M)=OH+OH(+M) 3.00E+14 0.0 48500.0 !13
- LOW /2.0E17 0. 48.5E3/
- TROE /1.0 1.0 1.0E8/
- H2/2/ H2O/12/ CO/1.9/ CO2/3.8/
-H2O2+H=HO2+H2 1.70E+12 0.0 3750.0 !14
-O+H+M=OH+M 1.00E+16 0.0 0.0 !15
-O2+M=O+O+M 5.13E+15 0.0 115000.0 !16
-H2+M=H+H+M 2.19E+14 0.0 96000.0 !17
- H2O/6.0E+00/ H/2.0E+00/ H2/3.0E+00/
-CO+OH=CO2+H 1.51E+07 1.3 -770.0 !18
-CO+HO2=CO2+OH 1.51E+14 0.0 23650.0 !19
-CO+O+M=CO2+M 5.89E+15 0.0 4100.0 !20
-CO2+O=CO+O2 2.75E+12 0.0 43830.0 !21
-HCO+OH=CO+H2O 1.00E+14 0.0 0.0 !22
-HCO+M=H+CO+M 1.45E+14 0.0 19000.0 !23
-HCO+H=CO+H2 2.00E+14 0.0 0.0 !24
-HCO+O=CO+OH 1.00E+14 0.0 0.0 !25
-!HCO+HO2=CH2O+O2 1.20E+13 0.0 3000.0 !26
-CH2O+O2=HCO+HO2 6.200E+13 0.0 37000.0 !
-HCO+O2=CO+HO2 3.98E+12 0.0 0.0 !27
-CH2O+M=HCO+H+M 3.31E+16 0.0 81000.0 !28
-CH2O+OH=HCO+H2O 3.59E+11 0.0 170.0 !29
-CH2O+H=HCO+H2 3.31E+14 0.0 10500.0 !30
-CH2O+O=HCO+OH 5.01E+13 0.0 4600.0 !31
-CH2O+HO2=HCO+H2O2 2.00E+11 0.0 8000.0 !32
-CH4+M=CH3+H+M 1.41E+17 0.0 88400.0 !33
-CH4+H=CH3+H2 1.26E+14 0.0 11900.0 !34
-CH4+OH=CH3+H2O 3.47E+03 3.1 2000.0 !35
-CH4+O=CH3+OH 2.14E+06 2.2 6480.0 !36
-CH4+HO2=CH3+H2O2 2.00E+13 0.0 18000.0 !37
-CH3+HO2=CH3O+OH 3.64E+13 0.0 0.0 !38 3.24
-CH4+CH2=CH3+CH3 4.00E+12 0.00 -570.0 !
-CH3+OH=CH2O+H2 3.98E+12 0.0 0.0 !39
-CH3+O=CH2O+H 1.29E+14 0.0 2000.0 !40
-CH3+O2=CH3O+O 3.79E+13 0.0 30000.0 !41
-CH3+O2=CH2O+OH 4.80E+10 0.0 9000.0 !
-CH2O+CH3=CH4+HCO 1.00E+10 0.5 6000.0 !42
-CH3+HCO=CH4+CO 3.02E+11 0.5 0.0 !43
-CH3+HO2=CH4+O2 1.00E+12 0.0 400.0 !44
-CH3O+M=CH2O+H+M 5.01E+13 0.0 21000.0 !45
-CH3O+O2=CH2O+HO2 7.59E+10 0.0 2700.0 !46
-!CH3+CH3 = C2H6 2.70D+53 -12.0 19400.0 !47
-CH3+CH3 = C2H6 2.02E+16 -0.97 620.0 !
-C2H6+CH3=C2H5+CH4 5.50E-01 4.0 8280.0 !48
-C2H6+H=C2H5+H2 5.37E+02 3.5 5200.0 !49
-C2H6+OH=C2H5+H2O 8.71E+09 1.1 1810.0 !50
-C2H6+O=C2H5+OH 1.12E+14 0.0 7850.0 !51
-C2H5+M=C2H4+H+M 2.00E+15 0.0 3000.0 !52
-C2H5+O2=C2H4+HO2 1.00E+12 0.0 5000.0 !53
-C2H4+C2H4=C2H5+C2H3 5.01E+14 0.0 64700.0 !54
-C2H4+M=C2H2+H2 9.33E+16 0.0 77200.0 !55
-C2H4+M=C2H3+H+M 6.31E+18 0.0 108720.0 !56
-C2H4+O=CH3+HCO 3.31E+12 0.0 1130.0 !57
-C2H4+O=CH2O+CH2 2.51E+13 0.0 5000.0 !58
-C2H4+H=C2H3+H2 1.51E+07 2.0 6000.0 !59
-C2H4+OH=C2H3+H2O 4.79E+12 0.0 1230.0 !60
-C2H4+OH=CH3+CH2O 2.00E+12 0.0 960.0 !61
-C2H3+M=C2H2+H+M 7.94E+14 0.0 31500.0 !62
-C2H3+O2=C2H2+HO2 1.00E+12 0.0 10000.0 !63
-C2H2+M=C2H+H+M 1.00E+14 0.0 114000.0 !64
-C2H2+O2=HCO+HCO 3.98E+12 0.0 28000.0 !65
-C2H2+H=C2H+H2 2.00E+14 0.0 19000.0 !66
-C2H2+OH=C2H+H2O 6.03E+12 0.0 7000.0 !67
-C2H2+OH=CH2CO+H 3.24E+11 0.0 200.0 !68
-C2H2+O=C2H+OH 3.24E+15 -0.6 17000.0 !69
-C2H2+O=CH2+CO 6.76E+13 0.0 4000.0 !70
-C2H+O2=HCO+CO 1.00E+13 0.0 7000.0 !71
-C2H+O=CO+CH 5.01E+13 0.0 0.0 !72
-CH2+O2=HCO+OH 1.00E+14 0.0 3700.0 !73
-CH2+O=CH+OH 1.91E+11 0.7 25000.0 !74
-CH2+H=CH+H2 2.69E+11 0.7 25700.0 !75
-CH2+OH=CH+H2O 2.69E+11 0.7 25700.0 !76
-CH+O2=CO+OH 1.35E+11 0.7 25700.0 !77
-CH+O2=HCO+O 1.00E+13 0.0 0.0 !78
-CH3OH+M=CH3+OH+M 3.02E+17 0.0 80000.0 !79
-CH3OH+OH=CH2OH+H2O 3.98E+12 0.0 1370.0 !80
-CH3OH+O=CH2OH+OH 1.70E+12 0.0 2290.0 !81
-CH3OH+H=CH2OH+H2 3.02E+13 0.0 7000.0 !82
-CH3OH+H=CH3+H2O 5.25E+12 0.0 5340.0 !83
-CH3OH+CH3=CH2OH+CH4 1.82E+11 0.0 9800.0 !84
-CH3OH+HO2=CH2OH+H2O2 6.31E+12 0.0 19360.0 !85
-CH2OH+M=CH2O+H+M 2.51E+13 0.0 29000.0 !86
-CH2OH+O2=CH2O+HO2 8.31E+11 0.0 0.0 !87
-C2H2+C2H2=C4H3+H 1.00E+13 0.0 45000.0 !88
-C4H3+M=C4H2+H+M 1.00E+16 0.0 60000.0 !89
-C2H2+C2H=C4H2+H 3.98E+13 0.0 0.0 !90
-C4H2+M=C4H+H+M 3.47E+17 0.0 80000.0 !91
-C2H3+H=C2H2+H2 2.00E+13 0.0 2500.0 !92
-C3H8=CH3+C2H5 1.70E+16 0.0 84840.0 !93
-CH3+C3H8=CH4+IC3H7 1.10E+15 0.0 25140.0 !94
-CH3+C3H8=CH4+NC3H7 1.10E+15 0.0 25140.0 !95
-H+C3H8=H2+IC3H7 8.71E+06 2.0 5000.0 !96
-H+C3H8=H2+NC3H7 5.62E+07 2.0 7700.0 !97
-IC3H7=H+C3H6 6.31E+13 0.0 36900.0 !98
-IC3H7=CH3+C2H4 2.00E+10 0.0 29500.0 !99
-NC3H7=CH3+C2H4 9.55E+13 0.0 31000.0 !100
-NC3H7=H+C3H6 1.26E+14 0.0 37000.0 !101
-IC3H7+C3H8=NC3H7+C3H8 3.02E+10 0.0 12900.0 !102
-C2H3+C3H8=C2H4+IC3H7 1.00E+11 0.0 10400.0 !103
-C2H3+C3H8=C2H4+NC3H7 1.00E+11 0.0 10400.0 !104
-C2H5+C3H8=C2H6+IC3H7 1.00E+11 0.0 10400.0 !105
-C2H5+C3H8=C2H6+NC3H7 1.00E+11 0.0 10400.0 !106
-C3H8+O=IC3H7+OH 2.81E+13 0.0 5200.0 !107
-C3H8+O=NC3H7+OH 1.12E+14 0.0 7850.0 !108
-C3H8+OH=IC3H7+H2O 4.79E+08 1.4 850.0 !109
-C3H8+OH=NC3H7+H2O 5.75E+08 1.4 850.0 !110
-C3H8+HO2=IC3H7+H2O2 3.39E+12 0.0 17000.0 !111
-C3H8+HO2=NC3H7+H2O2 1.12E+13 0.0 19400.0 !112
-C3H6+O=C2H4+CH2O 6.76E+04 2.6 -1130.0 !113
-IC3H7+O2=C3H6+HO2 1.00E+12 0.0 5000.0 !114
-NC3H7+O2=C3H6+HO2 1.00E+12 0.0 5000.0 !115
-C3H8+O2=IC3H7+HO2 3.98E+13 0.0 47500.0 !116
-C3H8+O2=NC3H7+HO2 3.98E+13 0.0 47500.0 !117
-C3H6+OH=C2H5+CH2O 1.00E+12 0.0 0.0 !118
-C3H6+O=C2H5+HCO 6.76E+04 2.6 -1130.0 !119
-C3H6+OH=CH3+CH3CHO 1.00E+12 0.0 0.0 !120
-C3H6+O=CH3+CH3CO 6.67E+04 2.6 -1130.0 !121
-CH3CHO+H=CH3CO+H2 3.98E+13 0.0 4200.0 !122
-CH3CHO+OH=CH3CO+H2O 1.00E+13 0.0 0.0 !123
-CH3CHO+O=CH3CO+OH 5.01E+12 0.0 1790.0 !124
-CH3CHO+CH3=CH3CO+CH4 1.73E+12 0.0 8440.0 !125
-CH3CHO+HO2=CH3CO+H2O2 1.70E+12 0.0 10700.0 !126 1.70
-CH3CHO=CH3+HCO 7.08E+15 0.0 81780.0 !127
-CH3CHO+O2=CH3CO+HO2 2.00E+13 0.5 42200.0 !128
-CH3CO+M=CH3+CO+M 4.37E+15 0.0 10500.0 !129
-C3H6+H=C3H5+H2 5.01E+12 0.0 1500.0 !130
-C3H6+CH3=C3H5+CH4 1.58E+12 0.0 8800.0 !131
-C3H6+C2H5=C3H5+C2H6 1.00E+12 0.0 9800.0 !132
-C3H6+OH=C3H5+H2O 2.00E+11 0.0 3060.0 !133
-C3H8+C3H5=IC3H7+C3H6 2.00E+11 0.0 16100.0 !134
-C3H8+C3H5=NC3H7+C3H6 7.94E+11 0.0 20500.0 !135
-C3H5=C3H4+H 3.98E+13 0.0 70000.0 !136
-C3H5=C2H2+CH3 2.397E+48 -9.90 8.208E+04
-C3H5+O2=C3H4+HO2 6.03E+11 0.0 10000.0 !137 10000.
-PC4H8=C3H5+CH3 1.51E+19 -1.0 73400.0 !138
-PC4H8=C2H3+C2H5 1.00E+19 -1.0 96770.0 !139
-PC4H8+O=CH3CHO+C2H4 1.29E+13 0.0 850.0 !140
-PC4H8+O=CH3CO+C2H5 1.29E+13 0.0 850.0 !141
-PC4H8+OH=CH3CHO+C2H5 1.00E+11 0.0 0.0 !142
-PC4H8+OH=CH3CO+C2H6 1.00E+10 0.0 0.0 !143
-C3H4+O=CH2O+C2H2 1.00E+12 0.0 0.0 !144
-C3H4+O=HCO+C2H3 1.00E+12 0.0 0.0 !145
-C3H4+OH=CH2O+C2H3 1.00E+12 0.0 0.0 !146
-C3H4+OH=HCO+C2H4 1.00E+12 0.0 0.0 !147
-C3H6=C3H5+H 1.00E+13 0.0 78000.0 !148
-C2H2+O=HCCO+H 3.55E+04 2.7 1390.0 !149
-CH2CO+H=CH3+CO 1.10E+13 0.0 3400.0 !150
-CH2CO+O=HCO+HCO 1.00E+13 0.0 2400.0 !151
-CH2CO+OH=CH2O+HCO 2.82E+13 0.0 0.0 !152
-CH2CO+M=CH2+CO+M 2.00E+16 0.0 60000.0 !153
-CH2CO+O=HCCO+OH 5.01E+13 0.0 8000.0 !154
-CH2CO+OH=HCCO+H2O 7.59E+12 0.0 3000.0 !155
-CH2CO+H=HCCO+H2 7.59E+13 0.0 8000.0 !156
-HCCO+OH=HCO+HCO 1.00E+13 0.0 0.0 !157
-HCCO+H=CH2+CO 5.01E+13 0.0 0.0 !158
-HCCO+O=HCO+CO 3.39E+13 0.0 2000.0 !159
-C3H6=C2H3+CH3 6.31E+15 0.0 85800.0 !160
-C3H5+H=C3H4+H2 1.00E+13 0.0 0.0 !161
-C3H5+CH3=C3H4+CH4 1.00E+12 0.0 0.0 !162
-C2H6+O2=C2H5+HO2 1.00E+13 0.0 51000.0 !163
-C2H6+HO2=C2H5+H2O2 1.12E+13 0.0 19400.0 !164
-CH3+C2H3=CH4+C2H2 1.00E+12 0.0 0.0 !165
-CH3+C2H5=CH4+C2H4 7.94E+11 0.0 0.0 !166
-C2H5+C3H5=C3H6+C2H4 1.26E+12 0.0 0.0 !167
-C2H5+C2H5=C2H6+C2H4 5.01E+11 0.0 0.0 !168
-CH3OH+CH2O=CH3O+CH3O 1.55E+12 0.0 79570.0 !169
-CH2O+CH3O=CH3OH+HCO 6.03E+11 0.0 3300.0 !170
-CH4+CH3O=CH3OH+CH3 2.00E+11 0.0 7000.0 !171
-C2H6+CH3O=CH3OH+C2H5 3.02E+11 0.0 7000.0 !172
-C3H8+CH3O=CH3OH+IC3H7 3.02E+11 0.0 7000.0 !173
-C3H8+CH3O=CH3OH+NC3H7 3.02E+11 0.0 7000.0 !174
-C4H10=C2H5+C2H5 2.00E+16 0.0 81300.0 !175
-C4H10=NC3H7+CH3 1.00E+17 0.0 85400.0 !176
-C4H10+O2=PC4H9+HO2 2.51E+13 0.0 49000.0 !177
-C4H10+O2=SC4H9+HO2 3.98E+13 0.0 47600.0 !178
-C4H10+H=PC4H9+H2 5.62E+07 2.0 7700.0 !179
-C4H10+H=SC4H9+H2 1.74E+07 2.0 5000.0 !180
-C4H10+OH=PC4H9+H2O 8.71E+09 1.1 1810.0 !181
-C4H10+OH=SC4H9+H2O 2.57E+09 1.3 700.0 !182
-C4H10+O=PC4H9+OH 1.12E+14 0.0 7850.0 !183
-C4H10+O=SC4H9+OH 5.62E+13 0.0 5200.0 !184
-C4H10+CH3=PC4H9+CH4 1.29E+12 0.0 11600.0 !185
-C4H10+CH3=SC4H9+CH4 7.94E+11 0.0 9500.0 !186
-C4H10+C2H3=PC4H9+C2H4 1.00E+12 0.0 18000.0 !187
-C4H10+C2H3=SC4H9+C2H4 7.94E+11 0.0 16800.0 !188
-C4H10+C2H5=PC4H9+C2H6 1.00E+11 0.0 13400.0 !189
-C4H10+C2H5=SC4H9+C2H6 1.00E+11 0.0 10400.0 !190
-C4H10+C3H5=PC4H9+C3H6 7.94E+11 0.0 20500.0 !191
-C4H10+C3H5=SC4H9+C3H6 3.16E+11 0.0 16400.0 !192
-C4H10+HO2=PC4H9+H2O2 1.12E+13 0.0 19400.0 !193
-C4H10+HO2=SC4H9+H2O2 6.76E+12 0.0 17000.0 !194
-C4H10+CH3O=PC4H9+CH3OH 3.02E+11 0.0 7000.0 !195
-C4H10+CH3O=SC4H9+CH3OH 6.03E+11 0.0 7000.0 !196
-PC4H9=C2H5+C2H4 2.51E+13 0.0 28800.0 !197
-PC4H9=PC4H8+H 1.26E+13 0.0 38600.0 !198
-PC4H9+O2=PC4H8+HO2 1.00E+12 0.0 2000.0 !199
-SC4H9=SC4H8+H 5.01E+12 0.0 37900.0 !200
-SC4H9=PC4H8+H 2.00E+13 0.0 40400.0 !201
-!SC4H9=C3H6+CH3 2.00E+14 0.0 33200.0 !202
-SC4H9=C3H6+CH3 2.232E+17 -1.40 30830.0 !202
-SC4H9+O2=PC4H8+HO2 1.00E+12 0.0 4500.0 !203
-SC4H9+O2=SC4H8+HO2 2.00E+12 0.0 4250.0 !204
-PC4H8=IC4H7+H 4.07E+18 -1.0 97350.0 !205
-SC4H8=IC4H7+H 4.07E+18 -1.0 97350.0 !206
-PC4H8+H=IC4H7+H2 5.01E+13 0.0 3900.0 !207
-SC4H8+H=IC4H7+H2 5.01E+13 0.0 3800.0 !208
-PC4H8+OH=IC4H7+H2O 1.41E+13 0.0 3060.0 !209
-SC4H8+OH=IC4H7+H2O 2.29E+13 0.0 3060.0 !210
-PC4H8+CH3=IC4H7+CH4 1.00E+11 0.0 7300.0 !211
-SC4H8+CH3=IC4H7+CH4 1.00E+11 0.0 8200.0 !212
-PC4H8+O=C3H6+CH2O 5.01E+12 0.0 0.0 !213
-SC4H8+O=IC3H7+HCO 6.03E+12 0.0 0.0 !214
-SC4H8+O=C2H4+CH3CHO 1.00E+12 0.0 0.0 !215
-PC4H8+OH=NC3H7+CH2O 1.51E+12 0.0 0.0 !216
-SC4H8+OH=C2H5+CH3CHO 3.02E+12 0.0 0.0 !217
-IC4H7=C4H6+H 1.20E+14 0.0 49300.0 !218
-IC4H7=C2H4+C2H3 1.00E+11 0.0 37000.0 !219
-IC4H7+O2=C4H6+HO2 1.00E+11 0.0 0.0 !220
-IC4H7+H=C4H6+H2 3.16E+13 0.0 0.0 !221
-IC4H7+C2H3=C4H6+C2H4 3.98E+12 0.0 0.0 !222
-IC4H7+C2H5=C4H6+C2H6 3.98E+12 0.0 0.0 !223
-IC4H7+C2H5=PC4H8+C2H4 5.01E+11 0.0 0.0 !224
-IC4H7+C2H5=SC4H8+C2H4 5.01E+11 0.0 0.0 !225
-IC4H7+C3H5=C4H6+C3H6 6.31E+12 0.0 0.0 !226
-C4H6=C2H3+C2H3 3.98E+19 -1.0 98150.0 !227
-C4H6+OH=C2H5+CH2CO 1.00E+12 0.0 0.0 !228
-C4H6+OH=C3H5+CH2O 1.00E+12 0.0 0.0 !229
-C4H6+OH=C2H3+CH3CHO 1.00E+12 0.0 0.0 !230
-C4H6+O=C2H4+CH2CO 1.00E+12 0.0 0.0 !231
-C4H6+O=C3H4+CH2O 1.00E+12 0.0 0.0 !232
-C2H3+C2H4=C4H6+H 5.01E+11 0.0 7300.0 !233
-C5H10=CH3+IC4H7 1.00E+19 -1.0 81550.0 !234
-C5H10+O=PC4H8+CH2O 8.51E+12 0.0 0.0 !235
-C5H10+O=C3H6+CH3CHO 8.51E+12 0.0 0.0 !236
-C5H10+OH=PC4H9+CH2O 1.00E+12 0.0 0.0 !237
-C5H10+OH=NC3H7+CH3CHO 1.00E+12 0.0 0.0 !238
-C2H5+H=CH3+CH3 3.16E+13 0.0 0.0 !239
-CH3OH+O2=CH2OH+HO2 3.98E+13 0.0 50900.0 !240
-C2H4+O2=C2H3+HO2 3.98E+13 0.0 61500.0 !241
-C2H4+CH3=C2H3+CH4 1.00E+13 0.0 13000.0 !242
-C3H6+O2=C3H5+HO2 1.00E+14 0.0 39000.0 !243
-! forward and backward
-IC8H18=TC4H9+IC4H9 2.00E+16 0.0 78000.0 !244
-! REV /1.00E+12 0.0 0.0 /
-IC8H18=IC3H7+NEOC5H11 2.00E+16 0.0 78000.0 !245 2.00E+16
-! REV /1.00E+12 0.0 0.0 /
-IC8H18+H=AC8H17+H2 8.51E+07 2.0 7700.0 !246
-! REV /1.00E+12 0.0 30000.0 /
-IC8H18+H=BC8H17+H2 8.91E+07 2.0 5000.0 !247
-! REV /1.00E+12 0.0 30000.0 /
-IC8H18+H=CC8H17+H2 1.26E+13 0.0 7300.0 !248
-! REV /1.00E+12 0.0 30000.0 /
-IC8H18+H=DC8H17+H2 5.62E+07 2.0 7700.0 !249
-! REV /1.00E+12 0.0 30000.0 /
-IC8H18+O=AC8H17+OH 1.51E+13 0.0 7850.0 !250
-! REV /1.00E+12 0.0 30000.0 /
-IC8H18+O=BC8H17+OH 4.82E+13 0.0 5200.0 !251
-! REV /1.00E+12 0.0 30000.0 /
-IC8H18+O=CC8H17+OH 1.00E+13 0.0 3280.0 !252
-! REV /1.00E+12 0.0 30000.0 /
-IC8H18+O=DC8H17+OH 1.00E+13 0.0 7850.0 !253
-! REV /1.00E+12 0.0 30000.0 /
-IC8H18+OH=AC8H17+H2O 1.29E+10 1.1 1810.0 !254
-! REV /1.00E+12 0.0 30000.0 /
-IC8H18+OH=BC8H17+H2O 1.29E+09 1.3 700.0 !255
-! REV /1.00E+12 0.0 30000.0 /
-IC8H18+OH=CC8H17+H2O 1.95E+12 0.0 440.0 !256
-! REV /1.00E+12 0.0 30000.0 /
-IC8H18+OH=DC8H17+H2O 8.71E+09 1.1 1810.0 !257
-! REV /1.00E+12 0.0 30000.0 /
-IC8H18+O2=AC8H17+HO2 3.72E+13 0.0 49000.0 !258
-! REV /1.00E+12 0.0 30000.0 /
-IC8H18+O2=BC8H17+HO2 2.00E+13 0.0 48000.0 !259
-! REV /1.00E+12 0.0 30000.0 /
-IC8H18+O2=CC8H17+HO2 2.00E+12 0.0 46000.0 !260
-! REV /1.00E+12 0.0 30000.0 /
-IC8H18+O2=DC8H17+HO2 2.51E+13 0.0 49000.0 !261
-! REV /1.00E+12 0.0 30000.0 /
-IC8H18+HO2=AC8H17+H2O2 1.70E+13 0.0 19400.0 !262
-! REV /1.00E+12 0.0 0.0 /
-IC8H18+HO2=BC8H17+H2O2 3.39E+12 0.0 17000.0 !263
-! REV /1.00E+12 0.0 0.0 /
-IC8H18+HO2=CC8H17+H2O2 2.02E+12 0.0 14400.0 !264
-! REV /1.00E+12 0.0 0.0 /
-IC8H18+HO2=DC8H17+H2O2 1.12E+13 0.0 19400.0 !265
-! REV /1.00E+12 0.0 0.0 /
-IC8H18+CH3=AC8H17+CH4 1.17E+13 0.0 11600.0 !266
-! REV /1.00E+12 0.0 0.0 /
-IC8H18+CH3=BC8H17+CH4 2.40E+12 0.0 9500.0 !267
-! REV /1.00E+12 0.0 0.0 /
-IC8H18+CH3=CC8H17+CH4 2.00E+12 0.0 7900.0 !268
-! REV /1.00E+12 0.0 0.0 /
-IC8H18+CH3=DC8H17+CH4 7.76E+12 0.0 11600.0 !269
-! REV /1.00E+12 0.0 0.0 /
-AC8H17=AC7H14+CH3 4.00E+13 0.0 31000.0 !270
-! REV /6.31E+09 0.0 7000.0 /
-AC8H17=IC4H8+IC4H9 1.09E+13 0.0 27600.0 !271 1.29
-! REV /1.00E+11 0.0 8000.0 /
-BC8H17=CC7H14+CH3 1.00E+13 0.0 31000.0 !272 1.0
-! REV /6.31E+10 0.0 7000.0 /
-CC8H17=IC4H8+IC4H9 1.01E+13 0.0 30700.0 !273
-! REV /1.00E+11 0.0 8000.0 /
-CC8H17=IC8H16+H 1.00E+13 0.0 38000.0 !274
-! REV /1.00E+10 0.0 1500.0 /
-DC8H17=AC7H14+CH3 1.26E+13 0.0 32800.0 !275
-! REV /6.31E+09 0.0 7000.0 /
-DC8H17=C3H6+NEOC5H11 3.29E+13 0.0 28700.0 !276 1.29
-! REV /1.00E+10 0.0 1500.0 /
-DC8H17=IC8H16+H 3.31E+13 0.0 36000.0 !277
-! REV /1.00E+10 0.0 1500.0 /
-AC8H17+O2=IC8H16+HO2 1.51E+10 0.0 10000.0 !278
-! REV /2.00E+11 0.0 20000.0 /
-BC8H17+O2=IC8H16+HO2 1.00E+10 0.0 10000.0 !279
-! REV /2.00E+11 0.0 20000.0 /
-CC8H17+O2=IC8H16+HO2 1.00E+10 0.0 10000.0 !280
-! REV /2.00E+11 0.0 20000.0 /
-DC8H17+O2=IC8H16+HO2 1.00E+10 0.0 10000.0 !281
-! REV /2.00E+11 0.0 20000.0 /
-IC8H16+O=IC4H8+IC4H7+OH 2.82E+13 0.0 5200.0 !282
-IC8H16+OH=IC4H8+IC4H7+H2O 1.29E+09 1.3 700.0 !283
-IC8H16+O=IC7H15+HCO 1.00E+11 0.0 0.0 !284
-! REV /1.00E+10 0.0 30000.0 /
-IC7H15=IC4H8+IC3H7 2.51E+13 0.0 28000.0 !285
-! REV /3.98E+10 0.0 6900.0 /
-IC7H15=AC7H14+H 3.98E+13 0.0 40000.0 !286
-! REV /1.58E+13 0.0 1200.0 /
-IC7H15=TC4H9+C3H6 2.51E+13 0.0 28200.0 !287
-! REV /1.20E+11 0.0 8000.0 /
-IC7H15=CC7H14+H 3.98E+13 0.0 40400.0 !288
-! REV /1.58E+13 0.0 1200.0 /
-AC7H14+H=IC7H13+H2 2.82E+13 0.0 4000.0 !289
-! REV /1.00E+12 0.0 14000.0 /
-CC7H14+H=IC7H13+H2 5.62E+13 0.0 4000.0 !290
-! REV /1.00E+12 0.0 14000.0 /
-AC7H14+O=IC7H13+OH 5.13E+05 2.6 -1100.0 !291
-! REV /1.41E+12 0.0 30000.0 /
-CC7H14+O=IC7H13+OH 5.13E+05 2.6 -1100.0 !292
-! REV /1.41E+12 0.0 30000.0 /
-AC7H14+OH=IC7H13+H2O 1.35E+14 0.0 3100.0 !293
-! REV /1.00E+13 0.0 27000.0 /
-CC7H14+OH=IC7H13+H2O 1.35E+14 0.0 3100.0 !294 14
-! REV /1.00E+13 0.0 27000.0 /
-AC7H14+O=IC6H13+HCO 2.00E+11 0.0 0.0 !295
-! REV /1.00E+12 0.0 30000.0 /
-CC7H14+O=NEOC5H11+CH3CO 1.00E+12 0.0 0.0 !296
-! REV /1.00E+12 0.0 30000.0 /
-AC7H14+OH=IC6H13+CH2O 1.00E+11 0.0 0.0 !297
-! REV /5.01E+12 0.0 27000.0 /
-AC7H14+OH=NEOC5H11+CH3CHO 1.00E+12 0.0 0.0 !298
-! REV /1.00E+12 0.0 27000.0 /
-IC8H16=IC4H7+TC4H9 2.51E+16 0.0 71000.0 !299
-! REV /1.00E+13 0.0 0.0 /
-IC8H16=C6H11+C2H5 2.51E+16 0.0 71000.0 !300
-! REV /1.00E+13 0.0 0.0 /
-AC7H14=IC4H7+IC3H7 5.01E+16 0.0 71000.0 !301
-! REV /1.00E+13 0.0 0.0 /
-AC7H14=TC4H9+C3H5 2.51E+16 0.0 71000.0 !302
-! REV /1.00E+13 0.0 0.0 /
-CC7H14=C6H11+CH3 2.51E+16 0.0 71000.0 !303 16
-! REV /1.00E+13 0.0 0.0 /
-IC8H16+OH=IC7H15+CH2O 1.00E+11 0.0 0.0 !304
-! REV /1.00E+12 0.0 0.0 /
-IC7H13=IC4H8+C3H5 5.01E+13 0.0 30000.0 !305
-! REV /1.26E+11 0.0 17000.0 /
-IC7H13=IC4H7+C3H6 5.01E+13 0.0 30000.0 !306
-! REV /1.26E+11 0.0 17000.0 /
-IC7H13=C6H10+CH3 2.00E+14 0.0 32800.0 !307
-! REV /6.46E+11 0.0 9100.0 /
-IC6H13=IC3H7+C3H6 2.51E+13 0.0 28200.0 !308
-! REV /3.98E+10 0.0 6900.0 /
-IC6H13=TC4H9+C2H4 2.51E+13 0.0 28800.0 !309
-! REV /3.98E+10 0.0 6900.0 /
-IC6H13=IC4H9+C2H4 2.51E+13 0.0 28800.0 !310
-! REV /3.98E+10 0.0 6900.0 /
-C6H11=C3H5+C3H6 2.51E+13 0.0 30000.0 !311
-! REV /6.31E+10 0.0 17000.0 /
-C6H11=C6H10+H 1.26E+14 0.0 49300.0 !312
-! REV /7.94E+12 0.0 1200.0 /
-C6H11+O2=C6H10+HO2 1.00E+11 0.0 0.0 !313
-! REV /1.00E+11 0.0 17000.0 /
-C6H10=C3H5+C3H5 5.07E+15 0.0 72800.0 !314
-! REV /6.31E+12 0.0 0.0 /
-NEOC5H11=IC4H8+CH3 1.00E+11 0.0 26000.0 !315
-! REV /1.00E+11 0.0 7200.0 /
-IC4H10=IC3H7+CH3 2.00E+17 0.0 83400.0 !316
-! REV /1.58E+13 0.0 0.0 /
-IC4H10=TC4H9+H 1.00E+15 0.0 83400.0 !317
-! REV /1.00E+11 0.0 0.0 /
-IC4H10=IC4H9+H 1.00E+15 0.0 83400.0 !318
-! REV /1.00E+11 0.0 0.0 /
-IC4H10+H=TC4H9+H2 1.26E+14 0.0 7300.0 !319
-! REV /1.00E+12 0.0 16000.0 /
-IC4H10+H=IC4H9+H2 1.00E+14 0.0 8400.0 !320
-! REV /3.16E+12 0.0 15700.0 /
-IC4H10+OH=TC4H9+H2O 1.95E+12 0.0 440.0 !321
-! REV /3.98E+12 0.0 22000.0 /
-IC4H10+OH=IC4H9+H2O 4.90E+03 0.0 -700.0 !322
-! REV /8.91E+03 3.0 20800.0 /
-IC4H10+O=TC4H9+OH 1.10E+13 0.0 3280.0 !323
-! REV /2.00E+12 0.0 9600.0 /
-IC4H10+O=IC4H9+OH 3.16E+13 0.0 5760.0 !324
-! REV /2.00E+12 0.0 9600.0 /
-IC4H10+CH3=TC4H9+CH4 1.00E+11 0.0 7900.0 !325
-! REV /2.00E+11 0.0 21000.0 /
-IC4H10+CH3=IC4H9+CH4 8.91E+11 0.0 10340.0 !326
-! REV /2.00E+11 0.0 15000.0 /
-IC4H10+HO2=TC4H9+H2O2 3.16E+12 0.0 14400.0 !327
-! REV /3.16E+12 0.0 7400.0 /
-IC4H10+HO2=IC4H9+H2O2 1.70E+13 0.0 19400.0 !328
-! REV /3.16E+12 0.0 7400.0 /
-IC4H10+O2=TC4H9+HO2 2.00E+12 0.0 46000.0 !329
-! REV /2.00E+12 0.0 2000.0 /
-IC4H10+O2=IC4H9+HO2 3.72E+13 0.0 49000.0 !330
-! REV /2.00E+12 0.0 2000.0 /
-IC4H10+C2H5=TC4H9+C2H6 1.00E+11 0.0 7900.0 !331
-! REV /3.02E+11 0.0 21000.0 /
-IC4H10+C2H5=IC4H9+C2H6 1.51E+12 0.0 10400.0 !332
-! REV /3.16E+11 0.0 12300.0 /
-IC4H9=C3H6+CH3 1.00E+14 0.0 32800.0 !333
-! REV /3.16E+11 0.0 9100.0 /
-IC4H9=IC4H8+H 3.31E+14 0.0 36000.0 !334
-! REV /1.00E+13 0.0 1200.0 /
-TC4H9=IC4H8+H 1.00E+15 0.0 43600.0 !335
-! REV /3.16E+13 0.0 1500.0 /
-TC4H9=C3H6+CH3 1.58E+15 0.0 46300.0 !336
-! REV /1.00E+11 0.0 7000.0 /
-TC4H9+O2=IC4H8+HO2 1.00E+12 0.0 5000.0 !337
-! REV /2.00E+11 0.0 17500.0 /
-IC4H9+O2=IC4H8+HO2 1.00E+12 0.0 5000.0 !338
-! REV /2.00E+11 0.0 17500.0 /
-IC4H8=C3H5+CH3 1.51E+19 -1.0 73400.0 !339
-! REV /3.98E+12 0.0 0.0 /
-IC4H8=IC4H7+H 1.00E+17 0.0 88000.0 !340
-! REV /2.00E+13 0.0 0.0 /
-IC4H8+H=IC4H7+H2 1.00E+13 0.0 3800.0 !341
-! REV /3.02E+13 0.0 25000.0 /
-IC4H8+O=IC4H7+OH 2.51E+05 2.6 -1130.0 !342
-! REV /7.08E+11 0.0 29900.0 /
-IC4H8+OH=IC4H7+H2O 1.91E+12 0.0 1230.0 !343
-! REV /4.79E+12 0.0 26470.0 /
-IC4H8+O=IC3H7+HCO 7.24E+05 2.3 -1050.0 !344
-! REV /2.00E+05 2.3 80280.0 /
-IC4H8+OH=IC3H7+CH2O 1.51E+12 0.0 0.0 !345
-! REV /1.95E+13 0.0 13230.0 /
-IC4H8+CH3=IC4H7+CH4 6.03E+11 0.0 8900.0 !346
-! REV /6.03E+11 0.0 29900.0 /
-IC4H7=C3H4+CH3 1.00E+13 0.0 32600.0 !347
-! REV /2.00E+11 0.0 7500.0 /
-C2H3+O2=CH2O+HCO 3.98E+12 0.0 -250.0 !348
-! REV /3.98E+12 0.0 86300.0 /
-AC8H17=DC8H17 6.03E+11 0.0 14100.0 !349
-! REV /8.91E+11 0.0 14200.0 /
-AC8H17=CC8H17 1.00E+11 0.0 16100.0 !350
-! REV /8.91E+11 0.0 21100.0 /
-NEOC5H11O2 = NEOC5H11+O2 3.472E+26 -3.68 3.604E+4 !351
-NEOC5H11+NEOC5H11O2=NEOC5H11O+NEOC5H11O 7.000E+12 0.00 -1.000E+03 !352
-NEOC5H11O2 = NEOC5H10OOH 2.125E+13 0.00 2.440E+04 !353
-NEOC5H11O2+HO2 = NEOC5H11O2H+O2 1.750E+13 0.00 -3.275E+03 !354
-NEOC5H11O2+H2O2 = NEOC5H11O2H+HO2 2.400E+12 0.00 1.000E+04 !355
-NEOC5H11O2+NEOC5H11O2=O2+NEOC5H11O+NEOC5H11O 1.400E+16 -1.61 1.860E+03 !356
-NEOC5H11O2H = NEOC5H11O+OH 1.500E+16 0.00 4.250E+04 !357
-NEOC5H11O = CH2O+TC4H9 1.349E+18 -2.34 1.899E+04 !358
-NEOC5H11+HO2 = NEOC5H11O+OH 1.000E+14 0.00 0.000E+00 !359
-NEOC5H10OOH = OH+CH2O+IC4H8 3.011E+18 -1.17 1.995E+04 !360
-NEOC5H11=C3H6+C2H5 3.587E+16 -1.28 3.193E+04 !361
-AC8H17+HO2=IC6H13+C2H3+H2O2 1.00E+12 0.0 0.0 ! 362
-BC8H17+HO2=IC6H13+C2H3+H2O2 1.00E+12 0.0 0.0 ! 363
-CC8H17+HO2=IC6H13+C2H3+H2O2 1.00E+12 0.0 0.0 ! 364
-DC8H17+HO2=IC6H13+C2H3+H2O2 1.00E+12 0.0 0.0 ! 365
-IC8H18+C2H3=AC8H17+C2H4 1.00E+12 0.0 0.0 ! 366
-IC8H18+C2H3=BC8H17+C2H4 1.00E+12 0.0 0.0 ! 367
-IC8H18+C2H3=CC8H17+C2H4 1.00E+12 0.0 0.0 ! 368
-IC8H18+C2H3=DC8H17+C2H4 1.00E+12 0.0 0.0 ! 369
-CC7H14+OH=IC6H13+CH2O 1.00E+12 0.0 0.0 ! 370
-!
-AC8H17+O2=R1C8H17OO 2.50E+19 -2.5 0.0 ! 371
-BC8H17+O2=R1C8H17OO 2.50E+19 -2.5 0.0 ! 372
-CC8H17+O2=R2C8H17OO 2.50E+19 -2.5 0.0 ! 373
-DC8H17+O2=R2C8H17OO 2.50E+19 -2.5 0.0 ! 374
-!
-R1C8H17OO=C8H16OOH 2.00E+12 0.0 28500.0 ! 375
-R2C8H17OO=C8H16OOH 3.38E+12 0.0 28500.0 ! 376 ! 1.38
-C8H16OOH+O2=R1C8H16OOHOO 2.20E+19 -2.5 0.0 ! 377
-C8H16OOH+O2=R2C8H16OOHOO 2.20E+19 -2.5 0.0 ! 378
-R1C8H16OOHOO=C8H15O4H2 4.62E+12 0.0 28500.0 ! 379
-R2C8H16OOHOO=C8H15O4H2 4.00E+12 0.0 28500.0 ! 380
-C8H15O4H2=OH+C7H14CHO(OOH) 2.00E+11 0.0 7500.0 ! 381
-C7H14CHO(OOH)=C6H13CO+CH2O+OH 2.05E+15 0.0 4.140E+4 ! 382 ! 2.05
-C6H13CHO + O2= C6H13CO + HO2 1.00E+10 0.5 4.200E+4 ! 383
-C6H13CHO + OH= C6H13CO + H2O 1.00E+12 0.0 0.0 ! 384
-C6H13CHO + H = C6H13CO + H2 4.00E+13 0.0 4.200E+3 ! 385
-C6H13CHO + O = C6H13CO + OH 5.00E+12 0.0 1.790E+3 ! 386
-C6H13CHO +HO2= C6H13CO + H2O2 2.80E+12 0.0 1.360E+4 ! 387
-C6H13CHO +CH3= C6H13CO + CH4 1.70E+11 0.0 8.440E+3 ! 388
-C6H13CO=CO+IC6H13 1.00E+11 0.0 9.600E+3 ! 389
-IC6H13=C6H12+H 3.345E+16 -0.9 3.795E+4 ! 390
-IC6H13=C2H4+PC4H9 2.805E+17 -1.29 3.018E+4 ! 391
-C6H12+OH=NEOC5H11+CH2O 1.000E+11 0.00 -4.000E+3! 392
-C6H12+OH=TC4H9+CH3CHO 1.000E+11 0.00 -4.000E+3! 393
-C6H12=C3H5+IC3H7 1.000E+16 0.00 7.100E+4! 394
-C6H12+OH=C6H11+H2O 3.000E+13 0.00 1.230E+3! 395
-C6H12+CH3=C6H11+CH4 1.000E+12 0.00 7.300E+3! 396
-!
-N + NO = N2 + O 3.500E+13 0.0 330.0!CGS
-N + O2 = NO + O 2.650E+12 0.0 6400.0!CGS
-N + OH = NO + H 7.333E+13 0.0 1120.0!CGS
-N + CO2 = NO + CO 1.900E+11 0.0 3400.0!CGS
-N2O + O = N2 + O2 1.400E+12 0.0 10810.0!CGS
-N2O + O = NO + NO 2.900E+13 0.0 23150.0!CGS
-N2O + H = N2 + OH 4.400E+14 0.0 18880.0!CGS
-N2O + OH = N2 + HO2 2.000E+12 0.0 21060.0!CGS
-N2O + M = N2 + O + M 1.300E+11 0.0 59620.0!CGS
-NO + HO2 = NO2 + OH 2.110E+12 0.0 -480.0!CGS
-NO2 + O = NO + O2 3.900E+12 0.0 -240.0!CGS
-NO2 + H = NO + OH 1.320E+14 0.0 360.0!CGS
-NO + O +M = NO2 + M 1.060E+20 -1.41 0.0!CGS
-END
diff --git a/applications/test/readCHEMKINIII/CHEMKINdata/chem.inp_ch4 b/applications/test/readCHEMKINIII/CHEMKINdata/chem.inp_ch4
deleted file mode 100644
index 24d1fc3..0000000
--- a/applications/test/readCHEMKINIII/CHEMKINdata/chem.inp_ch4
+++ /dev/null
@@ -1,450 +0,0 @@
-ELEMENTS
- H O C N AR
-END
-SPECIES
-H2 O2 OH H H2O O H2O2 HO2
-CH4 CO CO2 HCO CH3O CH2OH CH2O CH3 CH2 CH2(S) CH HCCO CH3O2 CH4O2
-C2H6 C2H5 C2H4 C2H3 C2H2 C2H CH3CO CH2CO C3H2 C3H3 C3H4 C3H5 C3H6 HCCOH
-C2H5OH CH3HCO CH3CHOH CH3OH C4H2 C4H3 CH3OCH3 CH3OCH2 CH3OCH2OOH CH3OCH2OO
-CH3OCH2O HCOOCH3 HCOOH CH3OCO
-O3 N2 AR C
-C3H7 C3H8
-THERMO ! 1995 NASA COMPILATION + EDGAR DATA
-CH3O2 L 1/84C 1H 3O 2N 0G 300.000 5000.00 1
- 0.66812963E 01 0.80057271E-02-0.27188507E-05 0.40631365E-09-0.21927725E-13 2
- 0.52621851E 03-0.99423847E 01 0.20986490E 01 0.15786357E-01 0.75683261E-07 3
--0.11274587E-07 0.56665133E-11 0.20695879E 04 0.15007068E 02 4
-CH4O2 T12/93C 1H 4O 2N 0G 200.000 6000.000 1
- 0.61600316E+01 0.10239957E-01-0.36101507E-05 0.57550301E-09-0.34178147E-13 2
--0.17654526E+05-0.61911544E+01 0.49652507E+01 0.92343510E-03 0.34455956E-04 3
--0.44469600E-07 0.17456120E-10-0.16726970E+05 0.29880275E+01 4
-C2H5OH L 8/88C 2H 6O 1N 0G 200.000 6000.000 1
- 0.65624365E+01 0.15204222E-01-0.53896795E-05 0.86225011E-09-0.51289787E-13 2
--0.31525621E+05-0.94730202E+01 0.48586957E+01-0.37401726E-02 0.69555378E-04 3
--0.88654796E-07 0.35168835E-10-0.29996132E+05 0.48018545E+01-0.28257829E+05 4
-C3H3 BUR 92C 3H 3O 0N 0G 200.000 6000.000 1
- 6.64175821E+00 8.08587428E-03-2.84787887E-06 4.53525977E-10-2.68879815E-14 2
- 3.89793699E+04-1.04004255E+01 1.82840766E+00 2.37839036E-02-2.19228176E-05 3
- 1.00067444E-08-1.38984644E-12 4.01863058E+04 1.38447957E+01 4.16139977E+04 4
-C3H4 L12/92C 3H 4O 0N 0G 200.000 6000.000 1
- 6.31694869E+00 1.11336262E-02-3.96289018E-06 6.35633775E-10-3.78749885E-14 2
- 2.01174617E+04-1.09718862E+01 2.61307487E+00 1.21223371E-02 1.85405400E-05 3
--3.45258475E-08 1.53353389E-11 2.15415642E+04 1.02503319E+01 2.29622672E+04 4
-C3H5 BUR 92C 3H 5O 0N 0G 200.000 6000.000 1
- 6.54761132E+00 1.33152246E-02-4.78333100E-06 7.71949814E-10-4.61930808E-14 2
- 1.72714707E+04-9.27486841E+00 3.78794693E+00 9.48414335E-03 2.42343368E-05 3
--3.65604010E-08 1.48592356E-11 1.86261218E+04 7.82822499E+00 2.03259122E+04 4
-C3H7 N-L 9/84C 3H 7 0 0G 300.000 5000.000 1
- 0.77026987E 01 0.16044203E-01-0.52833220E-05 0.76298590E-09-0.39392284E-13 2
- 0.82984336E 04-0.15480180E 02 0.10515518E 01 0.25991980E-01 0.23800540E-05 3
--0.19609569E-07 0.93732470E-11 0.10631863E 05 0.21122559E 02 0.12087447E 05 4
-C4H2 L 2/93C 4H 2O 0N 0G 200.000 6000.000 1
- 8.66704895E+00 6.71505191E-03-2.35355060E-06 3.73635366E-10-2.21054043E-14 2
- 5.10016978E+04-2.18002050E+01-4.07132393E-01 5.20775143E-02-9.21138340E-05 3
- 8.08657403E-08-2.70422080E-11 5.25957367E+04 2.03240223E+01 5.41222513E+04 4
-C4H3 L 9/89C 4H 3O 0N 0G 298.150 6000.000 1
- 0.84762079E+01 0.88782327E-02-0.30328412E-05 0.47358302E-09-0.27716627E-13 2
- 0.54756540E+05-0.17170551E+02 0.24173247E+01 0.24104782E-01-0.12813470E-04 3
--0.28606237E-08 0.39194527E-11 0.56506476E+05 0.14471107E+02 0.58181574E+05 4
-C4H4 L 9/89C 4H 4O 0N 0G 200.000 6000.000 1
- 0.82948104E+01 0.11994381E-01-0.42624075E-05 0.68306978E-09-0.40680631E-13 2
- 0.33550866E+05-0.18426826E+02 0.14049083E+01 0.29531073E-01-0.15596302E-04 3
--0.32142002E-08 0.45436937E-11 0.35507830E+05 0.17450183E+02 0.37097268E+05 4
-CH3OCH3 L12/92C 2H 6O 1N 0G 200.000 6000.000 1
- 5.64844183E+00 1.63381899E-02-5.86802367E-06 9.46836869E-10-5.66504738E-14 2
--2.51074690E+04-5.96264939E+00 5.30562279E+00-2.14254272E-03 5.30873244E-05 3
--6.23147136E-08 2.30731036E-11-2.39866295E+04 7.13264209E-01-2.21432171E+04 4
-CH3OCH2 T11/82C 2H 5O 1N 0G 300.000 5000.0 1
- 0.65567484E+01 0.12180723E-01-0.40628420E-05 0.59495830E-09-0.31276214E-13 2
--0.40282515E+04-0.81302772E+01 0.35953999E+01 0.13379216E-01 0.53914910E-05 3
--0.10947097E-07 0.38193320E-11-0.27021975E+04 0.92850365E+01 4
-CH3OCH2OOH Jan96 C 2H 6O 3N 0G 300.00 3000.00 1000. 0 1
- 7.66981055E+00 2.35536769E-02-1.15031834E-05 2.84464629E-09-2.79520304E-13 2
--3.96295537E+04-1.39224857E+01 3.05518950E-02 4.90560834E-02-4.43030986E-05 3
- 2.21548123E-08-4.66587486E-12-3.80282020E+04 2.43189660E+01 4
-CH3OCH2OO Jan96 C 2H 5O 3N 0G 300.00 3000.00 1000. 0 1
- 8.06217488E+00 2.05153644E-02-1.00803231E-05 2.50244952E-09-2.46544863E-13 2
--2.19951127E+04-1.59505736E+01 4.74967287E-01 4.68199208E-02-4.55041928E-05 3
- 2.44627078E-08-5.51108848E-12-2.04517448E+04 2.17234867E+01 4
-CH3OCH2O Jan96 C 2H 5O 2N 0G 300.00 3000.00 1000. 0 1
- 5.98450336E+00 1.93302785E-02-9.44575204E-06 2.33651645E-09-2.29626013E-13 2
--2.12266609E+04-7.95685946E+00-1.22386711E-01 3.94270827E-02-3.47990406E-05 3
- 1.69073231E-08-3.44801024E-12-1.99352987E+04 2.26909497E+01 4
-CH3OCHO Jan96 C 2H 4O 2N 0G 300.00 3000.00 1000. 1
- 5.46071782E+00 1.70659166E-02-8.38236448E-06 2.08015776E-09-2.04870146E-13 2
--4.58756417E+04-3.33482124E+00-4.40150386E-01 3.69251939E-02-3.41468832E-05 3
- 1.73800460E-08-3.70831952E-12-4.46516329E+04 2.61277510E+01 4
-HCOOCH3 C 2H 4O 2N 0G 300.000 5000.000 1
- 0.83982000E 01 0.11267000E-01-0.41325000E-05 0.72745000E-09-0.48932000E-13 2
--0.48328000E 05-0.18820000E 02-0.15323000E 01 0.43051000E-01-0.45098000E-04 3
- 0.26064000E-07-0.63345000E-11-0.45711000E 05 0.31603000E 02 4
-HCOOH L 8/88H 2.C 1.O 2. 0.G 200.000 6000.000 1
- 5.69579404E+00 7.72237361E-03-3.18037808E-06 5.57949466E-10-3.52618226E-14 2
--4.81599723E+04-6.01680080E+00 3.23262453E+00 2.81129582E-03 2.44034975E-05 3
--3.17501066E-08 1.20631660E-11-4.67785606E+04 9.86205647E+00-4.55312460E+04 4
-CH3OCO C 2H 3O 2 0G 300.000 5000.000 1
- 0.76505900E 01 0.99082000E-02-0.37559700E-05 0.67845900E-09-0.46572100E-13 2
--0.24947700E 05-0.12937300E 02-0.89045900E 00 0.38842600E-01-0.42829300E-04 3
- 0.25682800E-07-0.63729700E-11-0.22835200E 05 0.29911300E 02 4
-END
-REACTIONS
-CH4 + O2 = CH3 + HO2 7.900E+13 0.00 56000.
-CH4 + H = CH3 + H2 6.600E+08 1.62 10840. ! 2.200E+04 3.00 8750.
-CH4 + OH = CH3 + H2O 1.600E+06 2.10 2460.
-CH4 + O = CH3 + OH 1.020E+09 1.50 8604.
-CH4 + HO2 = CH3 + H2O2 1.800E+11 0.00 18700.
-CH3 + HO2 = CH3O + OH 2.000E+13 0.00 0.
-CH3 + O2 = CH3O + O 2.720E+13 0.00 30900.
-CH3 + O2 = CH2O + OH 3.800E+10 0.00 9000. ! 3.8
-CH3 + CH2O = CH4 + HCO 5.500E+03 2.82 6000.
-CH3 + HCO = CH4 + CO 1.200E+14 0.00 0.
-CH3 + O = CH2O + H 8.000E+13 0.00 0.
-CH3 + OH = CH2 + H2O 7.500E+06 2.00 5000.
-CH3 + OH = CH2O + H2 4.000E+12 0.00 0.
-CH3 + H = CH4 1.900E+36 -7.00 9050.
-CH3 + CH3 = C2H6 1.900D+53 -12.0 19400.
-!
-CH3 + CH3O = CH4 + CH2O 1.000E+13 0.00 0.
-CH3 + CH2OH = CH4 + CH2O 1.000E+12 0.00 0.
-CH3 + C2H5 = CH4 + C2H4 2.000E+13 -0.50 0.
-CH3 + C2H4 = CH4 + C2H3 6.620E+00 3.70 9482.
-CH3 + C2H3 = CH4 + C2H2 1.000E+12 0.00 0.
-CH3 + C2H2 = CH4 + C2H 1.800E+11 0.00 17270.
-CH3 + CH3 = C2H4 + H2 1.000E+14 0.00 31000.
-CH3 + M = CH2 + H + M 1.000E+16 0.00 90600.
-CH3 + HCO = CH2 + CH2O 2.000E+14 0.00 0.
-CH2 + H2 = CH3 + H 5.000E+05 2.00 7230.
-CH2 + CH3 = C2H4 + H 4.000E+13 0.00 0.
-!
-CH2(S)+ CH3 = C2H4 + H 3.000E+13 0.00 -570.
-CH2(S)+ H2 = CH3 + H 8.000E+13 0.00 0.
-CH2(S)+ CH4 = CH3 + CH3 4.000E+12 0.00 -570.
-CH2(S)+ C2H6 = CH3 + C2H5 4.000E+12 0.00 -550.
-CH2(S)+ C2H2 = C3H3 + H 3.000E+13 0.00 0.
-CH2(S)+ N2 = CH2 + N2 1.500E+13 0.00 600.
-CH2(S)+ AR = CH2 + AR 9.000E+12 0.00 600.
-CH2(S)+ CO2 = CH2 + CO2 7.000E+12 0.00 0.
-CH2(S)+ CO2 = CH2O + CO 1.400E+11 0.00 1000.
-CH2(S)+ H2O = CH2 + H2O 3.000E+13 0.00 0.
-CH2(S)+ O2 = CO + OH + H 2.800E+12 0.00 -500.
-CH2(S)+ O2 = CO + H2O 1.200E+12 0.00 -500.
-CH2(S)+ H = CH + H2 3.000E+13 0.00 0.
-CH2(S)+ O = CO + H2 3.000E+13 0.00 0.
-!
-CH2OH + H = CH3 + OH 1.000E+14 0.00 0.
-CH3O + H = CH3 + OH 1.000E+14 0.00 0.
-CH3O + M = CH2O + H + M 1.000E+14 0.00 25000.
-CH2OH + M = CH2O + H + M 1.000E+14 0.00 25000.
-CH3O + H = CH2O + H2 2.000E+13 0.00 0.
-CH2OH + H = CH2O + H2 2.000E+13 0.00 0.
-CH3O + OH = CH2O + H2O 1.000E+13 0.00 0.
-CH2OH + OH = CH2O + H2O 1.000E+13 0.00 0.
-CH3O + O = CH2O + OH 1.000E+13 0.00 0.
-CH2OH + O = CH2O + OH 1.000E+13 0.00 0.
-CH3O + O2 = CH2O + HO2 6.300E+10 0.00 2600. ! 6.3
-CH2OH + O2 = CH2O + HO2 1.480E+13 0.00 1500.
-!CH2 + H = CH + H2 1.000E+18 -1.56 0.
-CH2 + OH = CH + H2O 1.130E+07 2.00 3000.
-CH2 + OH = CH2O + H 2.500E+13 0.00 0.
-CH2 + CH2 = C2H2 + H2 4.000E+13 0.00 0.
-CH2 + HCCO = C2H3 + CO 3.000E+13 0.00 0.
-CH + H2 = H + CH2 1.107E+08 1.79 1670.
-CH + O2 = HCO + O 6.300E+13 0.00 0.
-CH + O = CO + H 5.700E+13 0.00 0.
-CH + OH = HCO + H 3.000E+13 0.00 0.
-CH + CO2 = HCO + CO 3.400E+12 0.00 690.
-CH + H2O = CH2O + H 1.170E+15 -0.75 0.
-CH + CH2O = CH2CO + H 9.460E+13 0.00 -515.
-CH + C2H2 = C3H2 + H 1.000E+14 0.00 0.
-CH + CH2 = C2H2 + H 4.000E+13 0.00 0.
-CH + CH3 = C2H3 + H 3.000E+13 0.00 -400.
-CH + CH4 = C2H4 + H 3.000E+13 0.00 0.
-CH2 + O = CO + H + H 5.000E+13 0.00 0.
-CH2 + O = HCO + H 8.000E+13 0.00 0.
-CH2 + O2 = CO2 + H + H 1.600E+12 0.00 1000.
-CH2 + O2 = CH2O + O 5.000E+13 0.00 9000.
-CH2 + O2 = CO2 + H2 6.900E+11 0.00 500.
-CH2 + O2 = HCO + OH 4.300E+10 0.00 -500.
-CH2O + OH = HCO + H2O 3.430E+09 1.18 -447.
-CH2O + H = HCO + H2 2.190E+08 1.77 3000.
-CH2O + M = HCO + H + M 3.310E+16 0.00 81000.
-CH2O + O = HCO + OH 1.800E+13 0.00 3080.
-CH2O + O2 = HCO + HO2 6.200E+13 0.00 39000.
-CH2O + HO2 = HCO + H2O2 1.000E+12 0.00 9000.
-CH2O + HO2 = HCOOH + OH 1.000E+13 0.00 14900.
-!
-HCOOH + H = H + CO2 + H2 3.060E+10 1.00 3200.
-HCOOH + O = H + CO2 + OH 5.360E+11 0.60 2900.
-HCOOH + OH = H + CO2 + H2O 2.500E+11 0.00 0.
-HCOOH + HO2 = H2O2 + CO2 + H 2.500E+11 0.00 0.
-HCOOH + CH3 = CH4 + CO2 + H 1.100E-03 4.90 3480.
-HCOOH + CH3OCH2 = CH3OCH3 + CO2 + H 1.100E-03 4.90 3480.
-!
-HCO + OH = H2O + CO 1.000E+14 0.00 0.
-!HCO + M = H + CO + M 2.500E+14 0.00 16802.
-HCO + H2O = H + CO + H2O 2.244E+18 -1.00 17000.
-HCO + M = H + CO + M 1.870E+17 -1.00 17000.
-H2/2.00/ H2O/ .00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/
-HCO + H = CO + H2 1.190E+13 0.25 0.
-HCO + O = CO + OH 3.000E+13 0.00 0.
-HCO + O = CO2 + H 3.000E+13 0.00 0.
-HCO + O2 = HO2 + CO 3.300E+13 -0.40 0.
-HCO + HCO = CH2O + CO 3.000E+13 0.00 0.
-HCO + HCO = H2 + CO + CO 3.000E+12 0.00 0.
-CO + O + M = CO2 + M 6.170E+14 0.00 3000.
-H2/2.00/ O2/6.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/3.50/ C2H6/3.00/ AR/0.50/
-CO + OH = CO2 + H 1.510E+07 1.30 -758.
-CO + O2 = CO2 + O 1.600E+13 0.00 41000.
-HO2 + CO = CO2 + OH 5.800E+13 0.00 22934.
-C2H6 + CH3 = C2H5 + CH4 5.500E-01 4.00 8300.
-C2H6 + H = C2H5 + H2 5.400E+02 3.50 5210.
-C2H6 + O = C2H5 + OH 3.000E+07 2.00 5115.
-C2H6 + OH = C2H5 + H2O 8.700E+09 1.05 1810.
-C2H4 + H = C2H3 + H2 1.100E+14 0.00 8500.
-C2H4 + O = CH3 + HCO 1.600E+09 1.20 746.
-C2H4 + OH = C2H3 + H2O 2.020E+13 0.00 5955.
-H + C2H4 = C2H5 2.600E+43 -9.25 52580.
-C2H5 + H = CH3 + CH3 1.000E+14 0.00 0.
-C2H5 + O2 = C2H4 + HO2 8.430E+11 0.00 3875.
-C2H2 + O = CH2 + CO 1.020E+07 2.00 1900.
-C2H2 + O = HCCO + H 1.020E+07 2.00 1900.
-H2 + C2H = C2H2 + H 4.090E+05 2.39 864.
-C2H3 = C2H2 + H 4.600E+40 -8.80 46200.
-C2H3 + H = C2H2 + H2 4.000E+13 0.00 0.
-C2H3 + O = CH2CO + H 3.000E+13 0.00 0.
-C2H3 + O2 = CH2O + HCO 4.000E+12 0.00 -250.
-C2H3 + O2 = C2H2 + HO2 1.580E+13 0.00 10060.
-C2H3 + OH = C2H2 + H2O 5.000E+12 0.00 0.
-C2H3 + CH2 = C2H2 + CH3 3.000E+13 0.00 0.
-C2H3 + C2H = C2H2 + C2H2 3.000E+13 0.00 0.
-C2H3 + CH = CH2 + C2H2 5.000E+13 0.00 0.
-OH + C2H2 = C2H + H2O 3.370E+07 2.00 14000.
-OH + C2H2 = HCCOH + H 5.040E+05 2.30 13500.
-OH + C2H2 = CH2CO + H 2.180E-04 4.50 -1000.
-OH + C2H2 = CH3 + CO 4.830E-04 4.00 -2000.
-C2H2 + O = C2H + OH 3.160E+15 -0.60 15000.
-HCCOH + H = CH2CO + H 1.000E+13 0.00 0.
-!
-CH2CO + O = CO2 + CH2 1.750E+12 0.00 1350.
-CH2CO + O = HCO + HCO 2.300E+13 0.00 2300.
-CH2CO + H = CH3 + CO 1.130E+13 0.00 3428.
-CH2CO + H = HCCO + H2 5.000E+13 0.00 8000.
-CH2CO + O = HCCO + OH 1.000E+13 0.00 8000.
-CH2CO + OH = HCCO + H2O 7.500E+12 0.00 2000.
-CH2CO + M = CH2 + CO + M 3.000E+14 0.00 70980.
-C2H + O2 = CO + CO + H 5.000E+13 0.00 1500.
-HCCO + H = CH2(S)+ CO 1.000E+14 0.00 0.
-HCCO + O = H + CO + CO 1.000E+14 0.00 0.
-HCCO + O2 = OH + CO + CO 1.600E+12 0.00 854.
-HCCO + CH = C2H2 + CO 5.000E+13 0.00 0.
-HCCO + HCCO = C2H2 + CO + CO 1.600E+12 0.00 854.
-C2H + O = CH + CO 5.000E+13 0.00 0.
-C2H + OH = HCCO + H 2.000E+13 0.00 0.
-C3H2 + O2 = HCCO + HCO 1.000E+13 0.00 0.
-C3H3 + O2 = CH2CO + HCO 3.000E+10 0.00 2868.
-C3H3 + O = CH2O + C2H 2.000E+13 0.00 0.
-C3H3 + OH = C3H2 + H2O 2.000E+13 0.00 0.
-C2H2 + O2 = HCCO + OH 2.000E+08 1.50 30100.
-C2H2 + M = C2H + H + M 4.200E+16 0.00 107000.
-C2H4 + M = C2H2 + H2 + M 1.500E+15 0.00 55800.
-H2 + O2 = OH + OH 1.700E+13 0.00 47780.
-H2 + OH = H2O + H 1.170E+09 1.30 3626.
-O + OH = O2 + H 8.000E+14 -0.60 0.
-!H + O2 = O + OH 8.300E+13 0.00 14413.
-O + H2 = OH + H 5.060E+04 2.67 6290.
-H + O2 + M = HO2 + M 3.610E+17 -0.72 0.
- H2O/21./ CO2/5.0/ H2/3.3/ CO/2.0/ AR/0.0/
-H + O2 + AR = HO2 + AR 7.000E+17 -0.80 0.
-OH + HO2 = H2O + O2 2.890E+13 0.00 497.
-H + HO2 = OH + OH 1.700E+14 0.00 874.
-O + HO2 = O2 + OH 1.400E+13 0.00 1073.
-OH + OH = O + H2O 6.000E+08 1.30 0.
-H + H + M = H2 + M 1.000E+18 -1.00 0.
- H2O/0./ H/2./ H2/0./ CO2/0./ AR/0.5/
-H + H + H2 = H2 + H2 9.200E+16 -0.60 0.
-H + H + H2O = H2 + H2O 6.000E+19 -1.25 0.
-H + H + CO2 = H2 + CO2 5.490E+20 -2.00 0.
-H + OH + M = H2O + M 1.600E+22 -2.00 0.
- H2/0.73/ H2O/3.65/ CH4/2.00/ C2H6/3.00/ AR/0.38/
-H + O + M = OH + M 5.000E+17 -1.00 0.
- H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/0.50/
-O + O + M = O2 + M 1.200E+17 -1.00 0.
- H2/ 2.40/ H2O/15.40/ CH4/ 2.00/ CO/ 1.75/ CO2/ 3.60/ C2H6/ 3.00/ AR/ 0.50/
-H + HO2 = H2 + O2 4.280E+13 0.00 1411.
-HO2 + HO2 = H2O2 + O2 3.020E+12 0.00 1390. ! 1.300E+11 .000 -1630.00
-H2O2 + M = OH + OH + M 1.200E+17 0.00 45500.
- AR/0.5/
-H2O2 + H = HO2 + H2 4.790E+13 0.00 7950.
-H2O2 + OH = H2O + HO2 1.000E+13 0.00 1800.
-H + HO2 = O + H2O 3.100E+10 0.00 1720.
-O + OH + M = HO2 + M 6.400E+15 0.00 0.
- AR/0.5/
-H2O2 + H = H2O + OH 1.000E+13 0.00 3590.
-H2O2 + O = H2O + O2 8.400E+11 0.00 4260.
-H2O2 + O = OH + HO2 2.000E+13 0.00 5900.
-H2 + HO2 = H2O + OH 6.500E+11 0.00 18800.
-C2H6 + CH = H + C3H6 1.100E+14 0.00 -263.
-C3H6 + O = CH3CO + CH3 5.000E+12 0.00 454.
-C3H6 + O = C2H5 + HCO 1.500E+12 0.00 0.
-CH3CO + H = CH2CO + H2 2.000E+13 0.00 0.
-CH3CO + O = CH3 + CO2 2.000E+13 0.00 0.
-CH3CO + CH3 = C2H6 + CO 5.000E+13 0.00 0.
-CH3CO = CH3 + CO 2.300E+26 -5.00 17970.
-!C2H3 + CH3 + M = C3H6 + M 5.000E+10 0.00 0.
-CH3 + C2H3 = C3H6 2.000E+13 0.00 0.
-CH3 + C2H2 = C3H5 6.000E+11 0.00 16000.
-C2H5 + C3H5 = C2H4 + C3H6 4.000E+11 0.00 0.
-C2H3 + C3H6 = C2H4 + C3H5 3.160E+12 0.00 31000.
-C3H5 + H = C3H6 2.000E+13 0.00 0.
-C2H6 + O2 = C2H5 + HO2 1.000E+13 0.00 48960.
-C2H4 + O2 = C2H3 + HO2 4.200E+13 0.00 57590.
-C2H5 + HO2 = C2H4 + H2O2 3.000E+11 0.00 0.
-!
-O3 + M = O2 + O + M 3.000E+14 0.00 22180.
-O3 + O = O2 + O2 1.000E+13 0.00 4570.
-O3 + H = O2 + OH 1.000E+14 0.00 890.
-O3 + OH = HO2 + O2 1.000E+12 0.00 1848.
-O3 + HO2 = OH + O2 + O2 1.000E+13 0.00 11000.
-!
-CH3OH = CH2OH + H 3.700E+15 0.00 96700.
-CH3OH = CH3O + H 4.500E+15 0.00 96700.
-CH3OH = CH3 + OH 3.800E+15 0.00 91700.
-CH3OH + O2 = CH2OH + HO2 4.050E+13 0.0 44906.
-CH3OH + H = CH2OH + H2 1.700E+07 2.10 4870.
-CH3OH + H = CH3O + H2 4.200E+06 2.10 4870.
-CH3OH + O = OH + CH2OH 3.880E+05 2.50 3100.
-CH3OH + O = OH + CH3O 1.300E+05 2.50 5000.
-CH3OH + OH = CH2OH + H2O 1.440E+06 2.00 -840.
-CH3OH + OH = CH3O + H2O 6.300E+06 2.00 1500.
-CH3OH + HO2 = CH2OH + H2O2 5.200E+13 0.00 19360.
-CH3OH + CH3 = CH2OH + CH4 3.000E+07 1.50 9940.
-CH3OH + CH3 = CH3O + CH4 1.000E+07 1.50 9940.
-CH3OH + CH3O = CH3OH + CH2OH 3.00E+11 0.0 4000.
-CH3O + CH3O = CH3OH + CH2O 1.200E+12 0.0 0.
-CH2OH + CH2OH = CH3OH + CH2O 1.200E+12 0.0 0.
-CH2OH + HCO = CH3OH + CO 1.200E+12 0.0 0.
-!
-C2H5OH = CH3 + CH2OH 3.020E+18 0.00 75470.
-C2H5OH + O2 = CH3CHOH + HO2 4.000E+10 0.00 50000.
-C2H5OH + OH = CH3CHOH + H2O 3.020E+13 0.00 5960.
-C2H5OH + H = CH3CHOH + H2 4.360E+12 0.00 4570.
-C2H5OH + O = CH3CHOH + OH 6.760E+12 0.00 1510.
-C2H5OH + HO2 = CH3CHOH + H2O2 6.310E+12 0.00 15000.
-C2H5OH + CH3 = CH3CHOH + CH4 4.000E+12 0.00 9690.
-!
-CH3CHOH + M = CH3HCO + H + M 5.000E+13 0.00 21850.
-CH3CHOH + O2 = CH3HCO + HO2 1.000E+13 0.0 5560.
-C2H5OH + H = C2H5 + H2O 5.250E+12 0.00 5000.
-CH3HCO = CH3 + HCO 7.080E+15 0.00 81760.
-CH3HCO = CH3CO + H 5.000E+14 0.00 87860.
-CH3HCO + O2 = CH3CO + HO2 2.000E+13 0.50 42200.
-CH3HCO + H = CH3CO + H2 4.000E+13 0.00 4200.
-CH3HCO + OH = CH3CO + H2O 1.000E+13 0.00 0.
-CH3HCO + O = CH3CO + OH 5.000E+12 0.00 1790.
-CH3HCO + CH3 = CH3CO + CH4 1.700E+12 0.00 8430.
-CH3HCO + HO2 = CH3CO + H2O2 1.700E+12 0.00 10700.
-C2H2 + C2H2 = C4H3 + H 2.000E+12 0.00 45900.
-C4H3 + M = C4H2 + H + M 1.000E+16 0.00 59700.
-C4H2 + O = C3H2 + CO 1.200E+12 0.00 0.
-C2H2 + C2H = C4H2 + H 4.000E+13 0.00 0.
-C3H4 + O = CH2O + C2H2 1.000E+12 0.00 0.
-C3H4 + OH = CH2O + C2H3 1.000E+12 0.00 0.
-C3H4 + O = HCO + C2H3 1.000E+12 0.00 0.
-C3H4 + OH = HCO + C2H4 1.000E+12 0.00 0.
-C3H6 + O = CH2O + C2H4 5.900E+13 0.00 0.
-C3H6 + OH = CH3 + CH3HCO 7.080E+12 0.00 0.
-C3H6 + OH = C3H5 + H2O 4.000E+12 0.00 0.
-C3H6 + OH = C2H5 + CH2O 8.000E+12 0.00 0.
-C3H6 + H = C3H5 + H2 5.000E+12 0.00 1500.
-C3H6 + CH3 = C3H5 + CH4 1.000E+11 0.00 8500.
-C3H6 + C2H5 = C3H5 + C2H6 1.000E+11 0.00 9200.
-C3H5 = C3H4 + H 4.000E+13 0.00 70000.
-C3H5 + O2 = C3H4 + HO2 6.020E+11 0.00 10000.
-C3H5 + H = C3H4 + H2 1.000E+13 0.00 0.
-C3H5 + CH3 = C3H4 + CH4 1.000E+12 0.00 0.
-!
-CH3 + O2 = CH3O2 9.020E+58 -15.0 17204.
-CH3O2 + HO2 = CH4O2 + O2 4.630E+10 0.0 -2583.
-CH3O2 + CH4 = CH4O2 + CH3 1.810E+11 0.0 18480.
-CH3O2 + CH3 = CH3O + CH3O 2.410E+13 0.0 0.
-CH3O2 + O = CH3O + O2 3.610E+13 0.0 0.
-CH3O2 + H = CH3O + OH 9.640E+13 0.0 0.
-CH3O2 + OH = CH3OH + O2 6.030E+13 0.0 0.
-CH3O2 + CH2O = CH4O2 + HCO 1.000E+12 0.0 11665.
-CH3O2 + CH3OH = CH4O2 + CH2OH 1.800E+12 0.0 13712.
-CH3O2 + C2H6 = CH4O2 + C2H5 2.950E+11 0.0 14944.
-CH4O2 = CH3O + OH 4.000E+15 0.0 42924.
-CH4O2 + OH = CH3O2 + H2O 8.200E+11 0.0 -258.
-!
-CH3OCH3 + H = CH3OCH2 + H2 8.400E+07 2.00 7700.
-CH3OCH3 + O = CH3OCH2 + OH 6.540E+06 2.40 5500.
-CH3OCH3 + OH = CH3OCH2 + H2O 6.560E+09 1.00 1590.
-CH3OCH3 + HO2 = CH3OCH2 + H2O2 4.200E+12 0.00 13875.
-CH3OCH3 + CH3O = CH3OCH2 + CH3OH 2.600E+12 0.00 7000.
-CH3OCH3 + O2 = CH3OCH2 + HO2 4.100E+13 0.00 44906.
-CH3OCH3 + CH3 = CH3OCH2 + CH4 1.950E+12 0.00 11600.
-CH3OCH3 = CH3+CH3O 2.620E+16 0.0 82202.
-CH3OCH3 = CH3OCH2 + H 2.588E+16 .265 104300.
-CH3OCH2 = CH3+CH2O 3.300E+14 0.0 31000. ! 4.3
-CH3OCH2 + CH3O = CH3OCH3 + CH2O 6.030E+13 0.0 0.
-CH3OCH2 + O2 = CH3OCH2OO 2.000E+42 -10.3 6080.
-CH3OCH2 + O2 = HCOOCH3 + OH 5.480E+13 0.0 8370.
-CH3OCH2 + HO2 = CH2O + CH3O + OH 3.000E+12 0.0 0.
-CH3OCH2 + H2O2 = CH2O + CH3O + H2O 3.000E+12 0.0 0.
-CH3OCH2OO + CH3OCH3 = CH3OCH2OOH+CH3OCH2 1.200E+12 0.0 14000. ! 2.2
-CH3OCH2OOH = CH3OCH2O + OH 8.200E+08 3.65 34000.
-CH3OCH2O = CH3O + CH2O 4.000E+14 0.0 15600.
-CH3OCH2O + O2 = HCOOCH3 + HO2 2.000E+12 0.0 6000.
-CH3OCH2OOH = CH2O + CH2O + H2O 8.800E+12 0.0 16000.
-CH3OCH3 + CH3O2 = CH3OCH2 + CH4O2 1.500E+13 0.0 13700. ! 2.0
-CH3O2 + CH3O2 = CH3O + CH3O + O2 6.300E+10 0.0 -600.
-CH3O2 + CH3O2 = CH3OCH2O + HO2 6.300E+10 0.0 -600.
-! new termination reactions
-CH3OCH2O + CH3 = CH4 + HCOOCH3 6.000E+13 0.0 0.
-CH3OCH2O + H = H2 + HCOOCH3 6.000E+13 0.0 0.
-CH3OCH2O + HO2 = H2O2 + HCOOCH3 6.000E+13 0.0 0.
-CH3OCH2O + O = OH + HCOOCH3 6.000E+13 0.0 0.
-CH3OCH2O + OH = H2O + HCOOCH3 6.000E+13 0.0 0.
-CH3OCH2O + C2H5 = C2H6 + HCOOCH3 6.000E+13 0.0 0.
-CH3OCH2O + CH3OCH2 = CH3OCH3 + HCOOCH3 6.000E+13 0.0 0.
-CH3OCH2O + CH3O = CH3OH + HCOOCH3 6.000E+13 0.0 0.
-HCOOCH3 = CH4 + CO2 6.000E+09 0.0 48520.
-HCOOCH3 = CH3O + HCO 6.200E+09 1.61 102580.
-HCOOCH3 + O = CH3OCO + OH 5.360E+11 0.6 2900.
-HCOOCH3 + H = CH3OCO + H2 1.620E+08 1.6 1980.
-HCOOCH3 + OH = CH3OCO + H2O 1.200E+09 1.3 -280.
-HCOOCH3 + HO2 = CH3OCO + H2O2 4.000E+12 0.0 12060.
-HCOOCH3 + CH3 = CH3OCO + CH4 9.900E-03 4.5 3420.
-HCOOCH3 + CH3O = CH3OCO + CH3OH 1.020E+11 0.0 2980.
-HCOOCH3 + CH3OCH2 = CH3OCO + CH3OCH3 1.100E-03 4.9 3480.
-CH3OCO = CO2 + CH3 1.000E+11 1.1 860.
-!
-H + CH = C + H2 1.100E+14 0.0 0.
-C + O2 = O + CO 5.800E+13 0.0 576.
-C + CH2 = H + C2H 5.000E+13 0.0 0.
-C + CH3 = H + C2H2 5.000E+13 0.0 0.
-!
-CH3+C2H5(+M)=C3H8(+M) .9430E+13 .000 .00
- LOW/ 2.710E+74 -16.82 13065.0 /
- TROE/ .1527 291.0 2742.0 7748.0 /
-H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/
-O+C3H8=OH+C3H7 1.930E+05 2.680 3716.00
-H+C3H8=C3H7+H2 1.320E+06 2.540 6756.00
-OH+C3H8=C3H7+H2O 3.160E+07 1.800 934.00
-C3H7+H2O2=HO2+C3H8 3.780E+02 2.720 1500.00
-CH3+C3H8=C3H7+CH4 0.903E+00 3.650 7154.00
-CH3+C2H4(+M)=C3H7(+M) 2.550E+06 1.600 5700.00
- LOW/ 3.00E+63 -14.6 18170./
- TROE/ .1894 277.0 8748.0 7891.0 /
-H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/
-O+C3H7=C2H5+CH2O 9.640E+13 .000 .00
-H+C3H7(+M)=C3H8(+M) 3.613E+13 .000 .00
- LOW/ 4.420E+61 -13.545 11357.0/
- TROE/ .315 369.0 3285.0 6667.0 /
-H2/2.00/ H2O/6.00/ CH4/2.00/ CO/1.50/ CO2/2.00/ C2H6/3.00/ AR/ .70/
-H+C3H7=CH3+C2H5 4.060E+06 2.190 890.00
-OH+C3H7=C2H5+CH2OH 2.410E+13 .000 .00
-HO2+C3H7=O2+C3H8 2.550E+10 0.255 -943.00
-HO2+C3H7=OH+C2H5+CH2O 2.410E+13 .000 .00
-CH3+C3H7=2C2H5 1.927E+13 -0.320 .00
-END
diff --git a/applications/test/readCHEMKINIII/CHEMKINdata/chem.inp_france b/applications/test/readCHEMKINIII/CHEMKINdata/chem.inp_france
deleted file mode 100644
index 4cf7ee2..0000000
--- a/applications/test/readCHEMKINIII/CHEMKINdata/chem.inp_france
+++ /dev/null
@@ -1,917 +0,0 @@
-!*************************************************************************************!
-! !
-! DEPARTEMENT DE CHIMIE PHYSIQUE DES REACTIONS !
-! ENSIC-CNRS !
-! 1 RUE GRANDVILLE, BP 451 !
-! 54001 NANCY CEDEX - FRANCE !
-! !
-!*************************************************************************************!
-! !
-! REACTION DATABASE FOR C0-C2 COMPOUNDS !
-! FILE USABLE BY CHEMKIN II (SANDIA) !
-! AUTHORS : F. BATTIN-LECLERC AND P. BARBE !
-! 17 MARCH 1997 !
-! !
-!*************************************************************************************!
-!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-! !
-!WARNING : Reaction 347 have 2 temperature ranges !
-! !
-!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
-ELEMENT!
-H O C N AR
-END
-SPECIES
-N2 AR O2 CH4 C2H6 C2H4 C2H2 CH2O CO CO2 H2 H2O H2O2
-H C O OH HO2 CH3 CH2 CH2(S) CH C2H5 C2H3 C2H CH3O HCO HCCO CH2CO
-CH3OH CH2OH CH3CO CH2CHO CH3CHO C2H4O CH3CO3 CH3CO3H CH3O2 CH3O2H C2H5O
-C2H5O2 C2H4O2H C2H5O2H C2H5OH C3H4 C3H6 C3H8 C4H2 C4H4 C4H6 UC4H8
-NC4H10 C2H3CHO C2H5CHO CH3OCH3 CH3OOCH3 NC3H7OH HOCH2CH2OH CH3COCH3
-C2H5COCH3 CH3COCHO CH3COCH2OH CH3COCOCH3
-END
-THERMO
-O 0C 0H 0O 1G 0300.00 5000.00 1000.00 1
- 0.02542060E+02-0.02755062E-03-0.03102803E-07 0.04551067E-10-0.04368052E-14 2
- 0.02923080E+06 0.04920308E+02 0.02946429E+02-0.01638166E-01 0.02421032E-04 3
--0.01602843E-07 0.03890696E-11 0.02914764E+06 0.02963995E+02 4
-CO 0C 1H 0O 1G 0300.00 5000.00 1000.00 1
- 0.03025078E+02 0.01442689E-01-0.05630828E-05 0.01018581E-08-0.06910952E-13 2
--0.01426835E+06 0.06108218E+02 0.03262452E+02 0.01511941E-01-0.03881755E-04 3
- 0.05581944E-07-0.02474951E-10-0.01431054E+06 0.04848897E+02 4
-C 0C 1H 0O 0G 0300.00 5000.00 1000.00 1
- 0.02602087E+02-0.01787081E-02 0.09087041E-06-0.01149933E-09 0.03310844E-14 2
- 0.08542154E+06 0.04195177E+02 0.02498585E+02 0.08085777E-03-0.02697697E-05 3
- 0.03040729E-08-0.01106652E-11 0.08545878E+06 0.04753459E+02 4
-CH 0C 1H 1O 0G 0300.00 5000.00 1000.00 1
- 0.02196223E+02 0.02340381E-01-0.07058201E-05 0.09007582E-09-0.03855040E-13 2
- 0.07086723E+06 0.09178373E+02 0.03200202E+02 0.02072876E-01-0.05134431E-04 3
- 0.05733890E-07-0.01955533E-10 0.07045259E+06 0.03331588E+02 4
-CH2 0C 1H 2O 0G 0300.00 5000.00 1000.00 1
- 0.03636408E+02 0.01933057E-01-0.01687016E-05-0.01009899E-08 0.01808256E-12 2
- 0.04534134E+06 0.02156561E+02 0.03762237E+02 0.01159819E-01 0.02489585E-05 3
- 0.08800836E-08-0.07332435E-11 0.04536791E+06 0.01712578E+02 4
-CH2(S) 0C 1H 2O 0G 0300.00 5000.00 1000.00 1
- 0.03552889E+02 0.02066788E-01-0.01914116E-05-0.01104673E-08 0.02021350E-12 2
- 0.04984975E+06 0.01686570E+02 0.03971265E+02-0.01699089E-02 0.01025369E-04 3
- 0.02492551E-07-0.01981266E-10 0.04989368E+06 0.05753207E+00 4
-H2 0C 0H 2O 0G 0300.00 5000.00 1000.00 1
- 2.50170E+00 1.78083E-03 -7.80013E-07 1.48437E-10 -1.03401E-14 2
--6.86891E+02 1.25553E+00 3.43853E+00 1.44314E-04 -1.08191E-07 3
- 2.16839E-10 -5.54307E-14 -1.03749E+03 -3.92682E+00 4
-H2O 0C 0H 2O 1G 0300.00 5000.00 1000.00 1
- 2.68039E+00 3.09623E-03 -9.31393E-07 1.34865E-10 -7.70007E-15 2
--2.99236E+04 6.77857E+00 3.97559E+00 -4.41834E-04 2.45596E-06 3
--1.24431E-09 2.26702E-13 -3.02810E+04 7.71523E-02 4
-O2 0C 0H 0O 2G 0300.00 5000.00 1000.00 1
- 3.19345E+00 1.56657E-03 -6.90657E-07 1.32082E-10 -9.23577E-15 2
--1.05228E+03 5.96618E+00 3.08809E+00 1.60342E-03 -5.34550E-07 3
- 2.80793E-11 2.98899E-15 -9.93828E+02 6.61069E+00 4
-H2O2 0C 0H 2O 2G 0300.00 5000.00 1000.00 1
- 5.20269E+00 3.07820E-03 -8.47786E-07 1.14867E-10 -6.24436E-15 2
--1.81737E+04 -2.81106E+00 2.79724E+00 9.30806E-03 -3.27081E-06 3
--3.91853E-09 2.63341E-12 -1.75951E+04 9.47142E+00 4
-CH4 0C 1H 4O 0G 0300.00 5000.00 1000.00 1
- 1.61991E+00 1.03080E-02 -3.71228E-06 6.14185E-10 -3.86748E-14 2
--1.00748E+04 9.98982E+00 2.31954E+00 6.54738E-03 -7.48051E-07 3
- 2.60912E-09 -1.95537E-12 -9.99764E+03 7.24965E+00 4
-CH2O 0C 1H 2O 1 G 0300.00 5000.00 1000.00 1
- 2.91430E+00 6.64407E-03 -2.45282E-06 4.12836E-10 -2.63040E-14 2
--1.52827E+04 7.43680E+00 2.41049E+00 7.02041E-03 -4.22947E-06 3
- 4.40116E-09 -2.12647E-12 -1.49519E+04 1.06246E+01 4
-CH3OH 0C 1H 4O 1 G 0300.00 5000.00 1000.00 1
- 3.27626E+00 1.05432E-02 -3.54918E-06 5.58743E-10 -3.39236E-14 2
--2.58917E+04 6.60656E+00 1.85957E+00 1.25312E-02 -4.47107E-06 3
- 1.73293E-09 -8.71066E-13 -2.52879E+04 1.46835E+01 4
-CO2 0C 1H 0O 2 G 0300.00 5000.00 1000.00 1
- 2.73827E+00 6.09914E-03 -2.81755E-06 5.57282E-10 -3.99470E-14 2
--4.82637E+04 8.67355E+00 2.67844E+00 6.31159E-03 1.20975E-06 3
--7.46647E-09 3.79399E-12 -4.84134E+04 8.57691E+00 4
-CH3O2H 0C 1H 4O 2 G 0300.00 5000.00 1000.00 1
- 6.37596E+00 1.07372E-02 -3.68666E-06 5.88827E-10 -3.61266E-14 2
--1.84341E+04 -6.12840E+00 3.09218E+00 1.80223E-02 -7.11862E-06 3
--1.47978E-09 1.45517E-12 -1.74300E+04 1.13028E+01 4
-C2H2 0C 2H 2O 0 G 0300.00 5000.00 1000.00 1
- 3.00338E+00 7.58476E-03 -3.11008E-06 5.64312E-10 -3.79570E-14 2
- 2.62468E+04 5.29247E+00 2.54593E+00 1.14007E-02 -7.07123E-06 3
--6.00363E-10 1.71894E-12 2.60564E+04 6.56609E+00 4
-C2H4 0C 2H 4O 0 G 0300.00 5000.00 1000.00 1
- 3.99720E-01 1.67299E-02 -6.80909E-06 1.22922E-09 -8.23928E-14 2
- 5.63749E+03 1.97729E+01 1.31810E+00 1.44460E-02 -2.74335E-06 3
--3.10835E-09 1.52772E-12 5.26817E+03 1.47233E+01 4
-C2H6 0C 2H 6O 0 G 0300.00 5000.00 1000.00 1
- 3.94109E-01 2.11928E-02 -8.08560E-06 1.39339E-09 -9.03005E-14 2
--1.10714E+04 1.96366E+01 9.75454E-01 1.88110E-02 -1.46453E-06 3
--6.38247E-09 2.84067E-12 -1.13111E+04 1.65514E+01 4
-CH2CO 0C 2H 2O 1 G 0300.00 5000.00 1000.00 1
- 5.35267E+00 6.94209E-03 -2.50061E-06 4.13231E-10 -2.59692E-14 2
--7.81007E+03 -3.80283E+00 2.99539E+00 1.23540E-02 -4.06499E-06 3
--3.34608E-09 2.24152E-12 -7.15097E+03 8.53716E+00 4
-CH3CHO 0C 2H 4O 1 G 0300.00 5000.00 1000.00 1
- 0.05869E+02 0.10794E-01 -0.03646E-04 0.05413E-08 -0.02897E-12 2
--0.02265E+06 -0.06013E+02 -5.97842E+01 4.89059E-01 -1.27143E-03 3
- 1.42135E-06 -5.67547E-10 -1.52478E+04 2.71669E+02 4
-!coefficients de CHEMKIN a haute temperature et THERGAS a basse temperature!
-C2H5OH 0C 2H 6O 1 G 0300.00 5000.00 1000.00 1
- 5.62516E+00 1.59916E-02 -5.36799E-06 8.43422E-10 -5.11406E-14 2
--3.10498E+04 -3.61961E+00 9.39858E-01 2.61811E-02 -9.25134E-06 3
--3.45825E-09 2.62098E-12 -2.96238E+04 2.12634E+01 4
-CH3OHCO 0C 2H 4O 2 G 0300.00 5000.00 1000.00 1
- 6.49235E+00 1.37029E-02 -4.83813E-06 7.88065E-10 -4.90158E-14 2
--5.52426E+04 -7.87675E+00 1.30241E+00 2.57455E-02 -9.76857E-06 3
--4.88314E-09 3.69546E-12 -5.37616E+04 1.93510E+01 4
-C2H5O2 0C 2H 5O 2 G 0300.00 5000.00 1000.00 1
- .11325327E+02 .82862452E-02 -.18620285E-05 .21820865E-09 -.10786769E-13 2
- -.69868408E+04 -.32948765E+02 .67205608E+00 .36275715E-01 -.30000807E-04 3
- .13847888E-07 -.28458303E-11 -.37891184E+04 .22886873E+02 4
-C2H5O2H 0C 2H 6O 2 G 0300.00 5000.00 1000.00 1
- 8.86549E+00 1.46991E-02 -4.66630E-06 7.03129E-10 -4.13262E-14 2
--2.34663E+04 -1.74646E+01 2.03266E+00 3.20310E-02 -1.79773E-05 3
- 2.38766E-09 1.07206E-12 -2.15063E+04 1.82187E+01 4
-CH3CO3 0C 2H 3O 3 G 0300.00 5000.00 1000.00 1
- .11077361E+02 .65959496E-02 -.14068501E-05 .15560973E-09 -.72247150E-14 2
- -.19400094E+05 -.29337929E+02 -.12573762E+01 .40412389E-01 -.36648889E-04 3
- .17055577E-07 -.31536631E-11 -.15821930E+05 .34825279E+02 4
-CH3CO3H 0C 2H 4O 3 G 0300.00 5000.00 1000.00 1
- 7.87651E+00 1.42400E-02 -4.81648E-06 7.62396E-10 -4.65514E-14 2
--4.39851E+04 -9.71105E+00 2.19569E-01 3.53131E-02 -2.24276E-05 3
- 3.22888E-09 1.67243E-12 -4.19548E+04 2.96617E+01 4
-C2H5CHO 0C 3H 6O 1 G 0300.00 5000.00 1000.00 1
- 7.00923E+00 1.80165E-02 -6.23156E-06 1.00111E-09 -6.17084E-14 2
--2.56908E+04 -9.54021E+00 2.78861E+00 2.57043E-02 -6.85618E-06 3
--4.35448E-09 2.43940E-12 -2.42672E+04 1.33993E+01 4
-C2H4O 0C 2H 4O 1 G 0300.00 5000.00 1000.00 1
- 4.47758E+00 1.35869E-02 -5.00744E-06 8.41742E-10 -5.35809E-14 2
--8.75035E+03 -1.34619E+00 -9.24908E-01 2.64513E-02 -1.34725E-05 3
- 3.74058E-10 1.40310E-12 -7.13279E+03 2.71327E+01 4
-H 0C 0H 1O 0 G 0300.00 5000.00 1000.00 1
- 2.51730E+00 -2.10523E-06 1.23733E-09 -2.92977E-13 2.40914E-17 2
- 2.54640E+04 -5.54129E-01 2.52530E+00 -6.39368E-05 1.54095E-07 3
--1.54230E-10 5.47044E-14 2.54635E+04 -5.86360E-01 4
-OH 0C 0H 1O 1 G 0300.00 5000.00 1000.00 1
- 2.16403E+00 2.49996E-03 -1.20620E-06 2.46260E-10 -1.80763E-14 2
- 4.19496E+03 9.54587E+00 3.67780E+00 -2.14153E-04 5.70231E-08 3
- 1.71404E-10 -1.84629E-14 3.63597E+03 1.19670E+00 4
-HO2 0C 0H 1O 2 G 0300.00 5000.00 1000.00 1
- 4.72022E+00 1.38622E-03 -1.68457E-07 1.05843E-11 -2.40717E-16 2
--2.41430E+02 -6.85165E-01 1.84854E+00 1.07988E-02 -8.54635E-06 3
- 4.18415E-10 1.44074E-12 3.26446E+02 1.34319E+01 4
-CH3 0C 1H 3O 0 G 0300.00 5000.00 1000.00 1
- 1.02702E+00 9.49641E-03 -3.82860E-06 6.86498E-10 -4.57900E-14 2
- 1.67624E+04 1.53006E+01 2.94974E+00 5.11940E-03 -8.75334E-07 3
- 6.64224E-10 -5.42393E-13 1.61486E+04 5.05087E+00 4
-HCO 0C 1H 1O 1 G 0300.00 5000.00 1000.00 1
- 4.39893E+00 1.53560E-03 -1.99211E-07 1.43007E-11 -4.51357E-16 2
- 1.46590E+03 1.23461E+00 2.96884E+00 5.16190E-03 -6.79642E-06 3
- 7.15025E-09 -2.73201E-12 2.04422E+03 9.08982E+00 4
-CH2OH 0C 1H 3O 1 G 0300.00 5000.00 1000.00 1
- 6.72615E+00 2.58400E-03 -3.43695E-07 2.58671E-11 -8.92075E-16 2
--5.93852E+03 -1.07401E+01 1.75181E+00 1.63562E-02 -2.19316E-05 3
- 2.01041E-08 -7.28744E-12 -4.21651E+03 1.57722E+01 4
-CH3O 0C 1H 3O 1 G 0300.00 5000.00 1000.00 1
- 6.45804E+00 3.22182E-03 -5.09801E-07 4.41966E-11 -1.69366E-15 2
--8.23233E+02 -1.22475E+01 2.40571E-01 1.87747E-02 -2.13180E-05 3
- 1.81151E-08 -6.61230E-12 1.35827E+03 2.11815E+01 4
-CH2O2H 0C 1H 3O 2 G 0300.00 5000.00 1000.00 1
- 1.01575E+01 2.21923E-03 -2.71559E-07 1.97488E-11 -7.06327E-16 2
- 9.23978E+02 -2.52115E+01 1.82419E+00 3.00692E-02 -4.32332E-05 3
- 3.42492E-08 -1.07827E-11 3.25193E+03 1.72697E+01 4
-CH3O2 0C 1H 3O 2 G 0300.00 5000.00 1000.00 1
- 9.76413E+00 3.04276E-03 -4.67054E-07 3.87833E-11 -1.39425E-15 2
--1.91174E+03 -2.69241E+01 1.48937E+00 2.40776E-02 -2.38748E-05 3
- 1.51535E-08 -4.47557E-12 7.64340E+02 1.69852E+01 4
-C2H 0C 2H 1O 0 G 0300.00 5000.00 1000.00 1
- 6.02264E+00 8.77475E-04 -8.67941E-08 3.67081E-12 1.93550E-17 2
- 6.20557E+04 -9.36163E+00 1.89603E+00 1.61116E-02 -1.74770E-05 3
- 5.93645E-09 3.50654E-13 6.28086E+04 1.05397E+01 4
-C2H3 0C 2H 3O 0 G 0300.00 5000.00 1000.00 1
- 3.27253E+00 8.18550E-03 -2.26647E-06 3.09596E-10 -1.70006E-14 2
- 3.39897E+04 7.07663E+00 2.29441E+00 1.02693E-02 -3.45618E-06 3
- 3.18937E-10 6.99872E-14 3.43028E+04 1.23194E+01 4
-C2H5 0C 2H 5O 0 G 0300.00 5000.00 1000.00 1
- 3.50261E+00 1.26143E-02 -3.65730E-06 5.16642E-10 -2.90469E-14 2
- 1.24032E+04 5.44236E+00 5.46580E-01 2.04368E-02 -1.16694E-05 3
- 4.82541E-09 -1.19281E-12 1.32743E+04 2.09001E+01 4
-HCCO OC 2H 1O 1 G 0300.00 5000.00 1000.00 1
- 0.06758073E+02 0.02000400E-01-0.02027607E-05-0.01041132E-08 0.01965165E-12 2
- 0.01901513E+06-0.09071262E+02 0.05047965E+02 0.04453478E-01 0.02268283E-05 3
--0.01482095E-07 0.02250742E-11 0.01965892E+06 0.04818439E+01 4
-CH2CHO 0C 2H 3O 1 G 0300.00 5000.00 1000.00 1
- 0.05976E+02 0.08131E-01 -0.02744E-04 0.04070E-08 -0.02176E-12 2
- 0.04903E+04 -0.05045E+02 -5.49040E+01 4.51253E-01 -1.17037E-03 3
- 1.30375E-06 -5.19201E-10 7.54530E+03 2.51103E+02 4
-!coefficients de CHEMKIN a haute temperature et THERGAS a basse temperature!
-CH3CO 0C 2H 3O 1 G 0300.00 5000.00 1000.00 1
- 5.17844E+00 8.15192E-03 -2.10111E-06 2.71446E-10 -1.42897E-14 2
--5.94327E+03 -2.17361E-01 3.78076E+00 5.97858E-03 8.17510E-06 3
--8.25542E-09 1.81654E-12 -5.11877E+03 8.85731E+00 4
-C2H4OHP 0C 2H 5O 1 G 0300.00 5000.00 1000.00 1
- 9.39205E+00 7.10512E-03 -1.46197E-06 1.56731E-10 -7.08032E-15 2
--7.55283E+03 -2.24447E+01 -1.60895E-01 3.69785E-02 -4.20936E-05 3
- 2.86827E-08 -8.21586E-12 -4.88243E+03 2.65306E+01 4
-C2H4OHS 0C 2H 5O 1 G 0300.00 5000.00 1000.00 1
- 8.62875E+00 7.87632E-03 -1.71370E-06 1.94535E-10 -9.32452E-15 2
--1.13847E+04 -1.81140E+01 1.77720E+00 2.41611E-02 -1.64825E-05 3
- 6.75643E-09 -1.21081E-12 -9.15277E+03 1.84275E+01 4
-C2H5O 0C 2H 5O 1 G 0300.00 5000.00 1000.00 1
- 8.79327E+00 8.37917E-03 -1.93446E-06 2.29371E-10 -1.13191E-14 2
--6.03107E+03 -2.23324E+01 -6.00093E-01 3.17670E-02 -2.42586E-05 3
- 1.08137E-08 -2.26856E-12 -3.08491E+03 2.73650E+01 4
-CH2OHCO 0C 2H 3O 2 G 0300.00 5000.00 1000.00 1
- 1.10189E+01 4.53439E-03 -8.65589E-07 8.88128E-11 -3.95962E-15 2
--3.35939E+04 -3.29218E+01 1.28829E-01 3.46503E-02 -3.43482E-05 3
- 1.86734E-08 -4.32868E-12 -3.03821E+04 2.38157E+01 4
-C2H4O2H 0C 2H 5O 2 G 0300.00 5000.00 1000.00 1
- 1.19639E+01 6.99398E-03 -1.39221E-06 1.46301E-10 -6.56315E-15 2
--1.64410E+02 -3.25611E+01 9.12805E-01 4.29306E-02 -5.09705E-05 3
- 3.45647E-08 -9.73011E-12 2.78459E+03 2.35878E+01 4
-C3H4 0C 3H 4 G 0300.00 5000.00 1000.00 1
- .54693928E+01 .12151568E-01 -.43443515E-05 .71433565E-09 -.44747395E-13 2
- .19852377E+05 -.54474335E+01 .22271647E+01 .19307628E-01 -.70081351E-05 3
--.27282026E-08 .21393857E-11 .20828311E+05 .11726395E+02 4
-C3H6 0C 3H 6 G 0300.00 5000.00 1000.00 1
- .50026493E+01 .17638993E-01 -.62266308E-05 .10151433E-08 -.63235977E-13 2
--.27056152E+03 -.24723434E+01 .55598283E+00 .27091531E-01 -.10752104E-04 3
--.97539210E-09 .14314721E-11 .11570190E+04 .21344173E+02 4
-C3H8 0C 3H 8 G 0300.00 5000.00 1000.00 1
- .54638848E+01 .22160569E-01 -.77296281E-05 .12495476E-08 -.77377605E-13 2
--.15629374E+05 -.62309151E+01 -.31831896E+00 .34746405E-01 -.12885018E-04 3
--.35057037E-08 .30165358E-11 -.13851594E+05 .24514595E+02 4
-C4H2 0C 4H 2 G 0300.00 5000.00 1000.00 1
- .82167263E+01 .75165699E-02 -.28333620E-05 .48376197E-09 -.31125981E-13 2
- .53914359E+05 -.19323837E+02 .45411844E+01 .16946664E-01 -.58588685E-05 3
--.70578716E-08 .47811238E-11 .54806316E+05-.54062080E+00 4
-C4H4 0C 4H 4 G 0300.00 5000.00 1000.00 1
- .74600129E+01 .13268776E-01 -.48047741E-05 .79804358E-09 -.50392033E-13 2
- .33450691E+05 -.13594856E+02 .18884374E+01 .27130427E-01 -.11816426E-04 3
--.46318047E-08 .40962659E-11 .34956789E+05 .15309685E+02 4
-C4H6 0C 4H 6 G 0300.00 5000.00 1000.00 1
- .80518456E+01 .17540889E-01 -.61760657E-05 .10047656E-08 -.62479542E-13 2
- .95697949E+04 -.18611710E+02 -.29224473E+00 .38725201E-01 -.16706719E-04 3
--.81080902E-08 .67421541E-11 .11749236E+05 .24444702E+02 4
-UC4H8 0C 4H 8 G 0300.00 5000.00 1000.00 1
- .12072002E+02 .17483519E-01 -.47358262E-05 .63614963E-09 -.34500855E-13 2
- .34200605E+04 -.37559532E+02 -.86302972E+00 .53421453E-01 -.45552202E-04 3
- .24475971E-07 -.60568863E-11 .72361128E+04 .29821739E+02 4
-NC4H10 0C 4H 10 G 0300.00 5000.00 1000.00 1
- .77133317E+01 .27767614E-01 -.96156327E-05 .15456056E-08 -.95281279E-13 2
--.19425240E+05 -.16262451E+02 .59979584E-01 .44005580E-01 -.15532127E-04 3
--.52806315E-08 .40442116E-11 -.17040045E+05 .24565849E+02 4
-C2H3CHO 0C 3H 4O 1 G 0300.00 5000.00 1000.00 1
- .12311886E+02 .12961588E-01 -.61774654E-05 .12501405E-08 -.91169971E-13 2
- -.15218951E+05 -.42303177E+02 .93137437E+00 .35574418E-01 -.33347264E-04 3
- .28398034E-07 -.11395644E-10 -.10614329E+05 .21059492E+02 4
-C2H5CHO 0C 3H 6O 1 G 0300.00 5000.00 1000.00 1
- .70107722E+01 .18013448E-01 -.62295217E-05 .10005839E-08 -.61661722E-13 2
- -.25691457E+05 -.95488281E+01 .28277023E+01 .25430365E-01 -.61913220E-05 3
- -.50245177E-08 .26785609E-11 -.24271348E+05 .13234089E+02 4
-CH3OCH3 0C 2H 6O 1 G 0300.00 5000.00 1000.00 1
- .48582563E+01 .17240373E-01 -.59518788E-05 .95503494E-09 -.58825550E-13 2
- -.24755031E+05 -.13852615E+01 .20368140E+01 .21299208E-01 -.51627690E-05 3
- -.20305686E-08 .88250571E-12 -.23667908E+05 .14411049E+02 4
-CH3OOCH3 0C 2H 6O 2 G 0300.00 5000.00 1000.00 1
- .83690472E+01 .14833436E-01 -.46565133E-05 .69703088E-09 -.40832690E-13 2
- -.18533230E+05 -.15578167E+02 .30638237E+01 .28614834E-01 -.24377980E-04 3
- .19129631E-07 -.72663607E-11 -.16707926E+05 .12810528E+02 4
-NC3H7OH 0C 3H 8O 1 G 0300.00 5000.00 1000.00 1
- .71674681E+01 .22466624E-01 -.76292372E-05 .12097231E-08 -.73884075E-13 2
- -.34686773E+05 -.95393562E+01 .12350693E+01 .34453284E-01 -.10589133E-04 3
- -.54856804E-08 .35146994E-11 -.32804938E+05 .22268148E+02 4
-HOCH2CH2OH 0C 2H 6O 2 G 0300.00 5000.00 1000.00 1
- .94605846E+01 .00000000E+00 .00000000E+00 .00000000E+00 .00000000E+00 2
- -.50706793E+05 -.15255096E+02 .94605846E+01 .00000000E+00 .00000000E+00 3
- .00000000E+00 .00000000E+00 -.50706793E+05 -.15255096E+02 4
-CH3COCH3 0C 3H 6O 1 G 0300.00 5000.00 1000.00 1
- .59975996E+01 .19679097E-01 -.70154574E-05 .11513579E-08 -.72035416E-13 2
- -.29362656E+05 -.55254784E+01 .14577827E+01 .28063715E-01 -.90218518E-05 3
- -.24536706E-08 .16730232E-11 -.27794104E+05 .19218454E+02 4
-C2H5COCH3 0C 4H 8O 1 G 0300.00 5000.00 1000.00 1
- .87888947E+01 .24174010E-01 -.83446403E-05 .13376648E-08 -.82271822E-13 2
- -.33018367E+05 -.17819489E+02 .27316518E+01 .35815358E-01 -.11085016E-04 3
- -.44516226E-08 .28435873E-11 -.31006189E+05 .14949604E+02 4
-CH3COCHO 0C 3H 4O 2 G 0300.00 5000.00 1000.00 1
- .89256687E+01 .13401341E-01 -.45334914E-05 .71644690E-09 -.43629983E-13 2
- -.36391773E+05 -.23305817E+02 .36583393E+01 .17818777E-01 .12335082E-04 3
- -.25004601E-07 .96781515E-11 -.34470117E+05 .63711262E+01 4
-CH3COCH2OH 0C 3H 6O 2 G 0300.00 5000.00 1000.00 1
- .18422323E+02 .15847507E-02 .22200786E-05 -.75747592E-09 .68857395E-13 2
- -.52232094E+05 -.69094208E+02 .29494412E+01 .29086677E-01 -.10206494E-04 3
- -.26419480E-09 .92838457E-13 -.46496102E+05 .16329613E+02 4
-CH3COCOCH3 0C 4H 6O 2 G 0300.00 5000.00 1000.00 1
- .10088178E+02 .20814884E-01 -.72801195E-05 .11796960E-08 -.73203515E-13 2
- -.44156449E+05 -.21426254E+02 .20524170E+01 .39215170E-01 -.16422011E-04 3
- -.39475361E-08 .38206075E-11 -.41770484E+05 .20989098E+02 4
-END
-REACTIONS
-!REACTIONS DE LA MATRICE O(0)C(y)H(z)!
-!REACTIONS DE H2!
-H2+M=H+H+M 2.2E14 0. 95.7E3 !(1,-1)<BAULCH94>
-!REACTIONS DE C
-C+H2=CH+H 4.0E14 0. 23.3E3 !(2,-2)<DEAN91>
-!REACTIONS DE CH2(S)
-CH2(S)+M=CH2+M 6.0E12 0. 0. !(3,-3)<BAULCH94average>
-CH2(S)+H=CH+H2 3.0E13 0. 0. !(4,-4)<TSANG86>
-!REACTIONS DE CH2
-CH2+H=CH+H2 6.0E12 0. -1.8E3 !(5,-5)<BAULCH94>
-CH2+C=C2H+H 5.0E13 0. 0. !(6,-6)<RANZI94>
-CH2+CH2=>C2H2+H+H 1.2E14 0. 0.8E3 !(7) <BAULCH94>
-!REACTIONS DE CH3
-CH3+M=CH2+H+M 1.0E16 0. 90.4E3 !(8,-8)<BAULCH94>
-CH3+H=CH2(S)+H2 6.0E13 0. 15.0E3 !(9,-9)<BAULCH94>
-CH3+CH=C2H3+H 3.0E13 0. 0. !(10,-10)<DAGAUT91>
-CH3+CH2(S)=C2H4+H 1.8E13 0. 0. !(11,-11)<TSANG86>
-CH3+CH2=C2H4+H 4.2E13 0. 0. !(12,-12)<BAULCH94>
-CH3+C=C2H2+H 5.0E13 0. 0. !(13,-13)<RANZI94>
-CH3+CH3(+M)=C2H6(+M) 3.6E13 0. 0. !(14,-14)<BAULCH94>
- LOW /1.3E41 -7. 3.0E3/
-!-------------------------------------------------------------------------------------!
-!fittings (20/12/94, F. Battin-Leclerc) on CH4-02 system in PSR between 500 and 1300C!
-!CH3+CH3(+M)=C2H6(+M) 1.5E14 0. 0.! !(14,-14)<BAULCH94*4>!
-! LOW /5.2E41 -7. 3.0E3/!
-!-------------------------------------------------------------------------------------!
- TROE /0.62 73. 1180./
-CH3+CH3=C2H5+H 3.0E13 0. 13.5E3 !(15,-15)<BAULCH94>
-!-------------------------------------------------------------------------------------!
-!fittings (20/12/94, F. Battin-Leclerc) on CH4-02 system in PSR between 500 and 1300C!
-!CH3+CH3=C2H5+H 1.5E14 0. 13.5E3! !(15,-15)<BAULCH94*5>!
-!-------------------------------------------------------------------------------------!
-CH3+CH3=C2H4+H2 2.1E14 0. 19.3E3 !(16,-16)<FRANK86NIST>!
-!REACTIONS DE CH4
-CH4(+M)=CH3+H(+M) 2.4E16 0. 104.5E3 !(17,-17)<BAULCH94>
- LOW /4.5E17 0. 90.5E3/
- TROE /1. 1. 1350. 7830./
-CH4+H=CH3+H2 1.3E4 3. 8.0E3 !(18,-18)<BAULCH94>
-CH4+CH=C2H4+H 3.0E13 0. -0.4E3 !(19,-19)<DAGAUT91BAULCH94>
-CH4+CH2(S)=CH3+CH3 4.2E13 0. 0. !(20,-20)<TSANG86>
-!REACTIONS DE C2H
-C2H+CH2(S)=C2H2+CH 1.8E13 0. 0. !(21,-21)<TSANG86>
-C2H+CH2=C2H2+CH 1.8E13 0. 0. !(22,-22)<TSANG86>
-C2H+CH4=C2H2+CH3 1.2E12 0. 0. !(23,-23)<BAULCH94>
-C2H+C2H=C4H2 1.8E13 0. 0. !(24,-24)<TSANG86>
-!REACTIONS DE C2H2
-C2H2=C2H+H 2.6E15 0. 123.9E3 !(25,-25)<TSANG86>
-C2H2+H=C2H+H2 6.6E13 0. 27.7E3 !(26,-26)<BAULCH94>
-C2H2+CH2(S)=C3H4 1.7E14 0. 0. !(27,-27)<BAULCH94>
-C2H2+CH2=C3H4 3.5E12 0. 0. !(28,-28)<TSANG86>
-C2H2+CH3=C3H4+H 6.7E19 -2.08 31.6E3 !(29,-29)<DEAN87>
-C2H2+C2H=C4H2+H 9.0E13 0. 0. !(30,-30)<BAULCH94>
-C2H2+C2H2=C4H4 5.5E12 0. 37.0E3 !(31,-31)<DURAN89>
-!REACTIONS DE C2H3
-C2H3(+M)=C2H2+H(+M) 2.0E14 0. 40.0E3 !(32,-32)<BAULCH94>
- LOW /4.1E41 -7.5 45.3E3/
- TROE /0.35 1. 1.0E8/
-C2H3+H=C2H2+H2 1.2E13 0. 0. !(33,-33)<BAULCH94>
-C2H3+CH2(S)=C2H2+CH3 1.8E13 0. 0. !(34,-34)<TSANG86>
-C2H3+CH2=C2H2+CH3 1.8E13 0. 0. !(35,-35)<TSANG86>
-C2H3+CH3=CH4+C2H2 3.9E11 0. 0. !(36,-36)<TSANG86>
-C2H3+CH3=C3H6 2.5E13 0. 0. !(37,-37)<TSANG86>
-C2H3+C2H=C4H4 1.8E13 0. 0. !(38,-38)<TSANG86>
-C2H3+C2H=2C2H2 9.6E11 0. 0. !(39,-39)<TSANG86>
-C2H3+C2H2=C4H4+H 2.0E12 0. 5.0E3 !(40,-40)<FAHR89>
-C2H3+C2H3=C4H6 9.6E12 0. 0. !(41,-41)<TSANG86>
-C2H3+C2H3=C2H4+C2H2 9.6E11 0. 0. !(42,-42)<TSANG86>
-!REACTIONS DE C2H4
-C2H4+M=C2H2+H2+M 3.5E16 0. 71.3E3 !(43,-43)<BAULCH94>
-C2H4+M=C2H3+H+M 2.6E17 0. 96.2E3 !(44,-44)<BAULCH94>
-C2H4+H=C2H3+H2 5.4E14 0 14.8E3 !(45,-45)<BAULCH94>
-C2H4+CH=C3H4+H 1.3E14 0. -0.3E3 !(46,-46)<BAULCH94>
-C2H4+CH2(S)=C3H6 9.6E13 0. 0. !(47,-47)<BAULCH94>
-C2H4+CH2=C3H6 3.2E12 0. 5.1E3 !(48,-48)<BAULCH94>
-C2H4+CH3=CH4+C2H3 4.1E12 0. 11.1E3 !(49,-49)<BAULCH94>
-C2H4+C2H=C4H4+H 1.2E13 0. 0. !(50,-50)<TSANG86>
-C2H4+C2H3=C4H6+H 5.0E11 0. 7.3E3 !(51,-51)<TSANG86>
-!REACTIONS DE C2H5
-C2H5(+M)=C2H4+H(+M) 8.2E13 0. 40.0E3 !(52,-52)<BAULCH94>
- LOW /1.0E18 0. 33.3E3/
- TROE /0.75 97. 1379./
-C2H5+H=C2H4+H2 1.8E12 0. 0. !(53,-53)<TSANG86>
-C2H5+H=C2H6 3.6E13 0. 0. !(54,-54><TSANG86>
-C2H5+CH2(S)=C2H4+CH3 9.0E12 0. 0. !(55,-55)<TSANG86>
-C2H5+CH2(S)=C3H6+H 9.0E12 0. 0. !(56,-56)<TSANG86>
-C2H5+CH2=C2H4+CH3 1.8E13 0. 0. !(57,-57)<TSANG86>
-C2H5+CH3=C2H4+CH4 1.1E12 0. 0. !(58,-58)<BAULCH94>
-C2H5+CH3=C3H8 3.4E13 0. 0. !(59,-59)<BAULCH94>
-C2H5+C2H=C2H2+C2H4 1.8E12 0 0. !(60,-60)<TSANG86>
-C2H5+C2H3=UC4H8 1.5E13 0. 0. !(61,-61)<TSANG86>
-C2H5+C2H3=2C2H4 4.8E11 0. 0. !(62,-62)<TSANG86>
-C2H5+C2H3=C2H2+C2H6 4.8E11 0. 0. !(63,-63)<TSANG86>
-C2H5+C2H5=C2H4+C2H6 1.4E12 0. 0. !(64,-64)<BAULCH94>
-C2H5+C2H5=NC4H10 1.1E13 0. 0. !(65,-65)<BAULCH94>
-!REACTIONS DE C2H6
-C2H6+M=C2H4+H2+M 2.3E17 0. 67.4E3 !(66,-66)<SCHULTZ85NIST>
-C2H6+H=C2H5+H2 1.4E9 1.5 7.4E3 !(67,-67)<BAULCH94>
-C2H6+CH=C3H6+H 1.1E14 0. -0.3E3 !(68,-68)<BAULCH94>
-C2H6+CH2(S)=CH3+C2H5 1.1E14 0. 0. !(69,-69)<TSANG86>
-C2H6+CH3=C2H5+CH4 1.5E-7 6.0 5.8E3 !(70,-70)<BAULCH94>
-C2H6+C2H=C2H2+C2H5 3.6E12 0. 0. !(71,-71)<TSANG86>
-C2H6+C2H3=C2H5+C2H4 6.0E2 3.3 10.5E3 !(72,-72)<TSANG86>
-!REACTIONS DE LA MATRICE O(x)C(y)H(z) x>0
-!REACTIONS DE O
-O+H2=OH+H 5.1E4 2.67 6.2E3 !(73,-73)<BAULCH94>
-O+CH=CO+H 3.9E13 0. 0. !(74,-74)<BAULCH94>
-O+CH=C+OH 1.5E13 0. 4.7E3 !(75,-75)<MURRELL86>
-O+CH2(S)=>CO+2H 1.5E13 0. 0. !(76) <TSANG86>
-O+CH2(S)=CO+H2 1.5E13 0. 0. !(77,-77)<TSANG86>
-O+CH2=>CO+2H 7.2E13 0. 0. !(78) <BAULCH94>
-O+CH2=CO+H2 4.8E13 0. 0. !(79,-79)<BAULCH94>
-O+CH3=CH2O+H 8.4E13 0. 0. !(80,-80)<BAULCH94>
-O+CH3=CH3O 8.0E15 -2.12 0.6E3 !(81,-81)<DEAN87>
-O+CH4=CH3+OH 7.2E8 1.56 8.4E3 !(82,-82)<BAULCH94>
-O+C2H=CH+CO 1.0E13 0. 0. !(83,-83)<DAGAUT91>
-O+C2H2=HCCO+H 6.5E3 2.8 0.5E3 !(84,-84)<DAGAUT91>
-O+C2H2=CH2+CO 1.5E4 2.8 0.5E3 !(85,-85)<DAGAUT91>
-O+C2H3=CH3+CO 3.0E13 0. 0. !(86,-86)<DAGAUT91>
-O+C2H3=CH2CO+H 9.6E13 0. 0. !(87,-87)<TSANG86>
-O+C2H4=CH3+HCO 8.1E6 1.88 0.2E3 !(88,-88)<BAULCH94>
-O+C2H4=CH2O+CH2 4.00E5 1.88 0.2E3 !(89,-89)<BAULCH94>
-O+C2H4=CH2CO+H2 6.6E5 1.88 0.2E3 !(90,-90)<BAULCH94>
-O+C2H4=CH2CHO+H 4.7E6 1.88 0.2E3 !(91,-91)<BAULCH94>
-O+C2H4=OH+C2H3 1.5E7 1.91 3.7E3 !(92,-92)<MAHMUD87>
-O+C2H5=CH2O+CH3 1.1E13 0. 0. !(93,-93)<BAULCH94>
-O+C2H5=CH3CHO+H 5.5E13 0. 0. !(94,-94)<BAULCH94>
-O+C2H5=C2H4+OH 3.0E13 0. 0. !(95,-95)<DAGAUT91>
-O+C2H6=C2H5+OH 1.0E9 1.5 5.8E3 !(96,-96)<BAULCH94>
-!REACTIONS DE OH
-OH+M=O+H+M 2.4E15 0. 99.0E3 !(97,-97><TSANG86>
-OH+H+M=H2O+M 2.4E22 -2.0 0. !(98,-98)<BAULCH94>
-OH+H2=H+H2O 1.0E8 1.6 3.3E3 !(99,-99)<BAULCH94>
-OH+C=CO+H 5.0E13 0. 0. !(100,-100)<RANZI94>
-OH+CH=HCO+H 3.0E13 0. 0. !(101,-101)<DAGAUT91>
-OH+CH2(S)=CH2O+H 3.0E13 0. 0. !(102,-102)<TSANG86>
-OH+CH2=CH2O+H 1.8E13 0. 0. !(103,-103)<TSANG86>
-OH+CH3=CH2(S)+H2O 7.2E13 0. 2.7E3 !(104,-104)<BAULCH94>
-OH+CH3(+M)=CH3OH(+M) 6.0E13 0. 0. !(105,-105)<BAULCH94>
- LOW /1.6E44 -8.2 0./
- TROE /0.82 200. 1438./
-OH+CH3=CH2O+H2 3.2E12 -0.53 10.8E3 !(106,-106)<DAGAUT91>
-OH+CH3=CH3O+H 5.7E12 -0.23 13.9E3 !(107,-107)<DAGAUT91>
-OH+CH4=CH3+H2O 1.6E7 1.83 2.7E3 !(108,-108)<BAULCH94>
-OH+C2H=C2H2+O 1.8E13 0. 0. !(109,-109)<TSANG86>
-OH+C2H=CH2+CO 1.8E13 0. 0. !(110,-110)<TSANG86>
-OH+C2H=HCCO+H 2.0E13 0. 0. !(111,-111)<DAGAUT91>
-OH+C2H2=C2H+H2O 1.4E4 2.68 12.0E3 !(112,-112)<TSANG86>
-OH+C2H2=CH2CO+H 2.2E-4 4.5 -1.0E3 !(113,-113)<DAGAUT91>
-OH+C2H2=CH3+CO 4.8E-4 4. -2.0E3 !(114,-114)<DAGAUT91>
-OH+C2H3=C2H2+H2O 3.0E13 0. 0. !(115,-115)<TSANG86>
-OH+C2H3=CH3CHO 3.0E13 0. 0. !(116,-116)<TSANG86>
-OH+C2H4=C2H3+H2O 2.0E13 0. 5.9E3 !(117,-117)<BAULCH94>
-OH+C2H4=CH3+CH2O 2.0E12 0. 0.9E3 !(118,-118)<GLARBORG86>
-OH+C2H5=C2H4+H2O 2.4E13 0. 0. !(119,-119)<TSANG86>
-OH+C2H5=>CH3+H+CH2O 2.4E13 0. 0. !(120) <TSANG86>
-OH+C2H6=C2H5+H2O 7.2E6 2. 0.9E3 !(121,-121)<BAULCH94>
-OH+OH=H2O+O 1.5E9 1.14 0.1E3 !(122,-122)<BAULCH94>
-!REACTIONS DE H2O
-H2O+CH=CH2OH 5.7E12 0. -0.8E3 !(123,-123)<BAULCH94>
-H2O+CH2(S)=CH3OH 1.8E13 0. 0. !(124,-124)<TSANG86>
-!REACTIONS DE CO
-CO+CH3(+M)=CH3CO(+M) 5.0E11 0. 6.9E3 !(125,-125)<BAULCH94>
- LOW /1.1E14 0. 3.8E3/
- TROE /0.5 1. 1.0E8/
-CO+O+M=CO2+M 6.2E14 0. 3.0E3 !(126,-126)<TSANG86>
-CO+OH=CO2+H 6.3E6 1.5 -0.5E3 !(127,-127)<BAULCH94>
-!REACTIONS DE HCO
-HCO+M=H+CO+M 1.6E14 0. 15.7E3 !(128,-128)<BAULCH94>
-HCO+H=H2+CO 9.0E13 0. 0. !(129,-129)<BAULCH94>
-HCO+H=O+CH2 4.0E13 0. 102.5E3 !(130,-130)<TSUBOI81>
-HCO+CH2(S)=CH3+CO 1.8E13 0. 0. !(131,-131)<TSANG86>
-HCO+CH2=CH3+CO 1.8E13 0. 0. !(132,-132)<TSANG86>
-HCO+CH3=CH4+CO 1.2E14 0. 0. !(133,-133)<TSANG86>
-HCO+CH3=CH3CHO 1.8E13 0. 0. !(134,-134)<TSANG86>
-HCO+CH4=CH3+CH2O 7.3E3 2.85 22.4E3 !(135,-135)<TSANG86>
-HCO+C2H=C2H2+CO 6.0E13 0. 0. !(136,-136)<TSANG86>
-HCO+C2H3=C2H4+CO 9.0E13 0. 0. !(137,-137)<TSANG86>
-HCO+C2H3=C2H3CHO 1.8E13 0. 0. !(138,-138)<TSANG86>
-HCO+C2H4=C2H3+CH2O 9.0E10 0. 5.4E3 !(139,-139)<LESCLAUX86NIST>
-HCO+C2H5=C2H6+CO 1.2E14 0. 0. !(140,-140)<TSANG86>
-HCO+C2H5=C2H5CHO 1.8E13 0. 0. !(141,-141)<TSANG86>
-HCO+C2H6=C2H5+CH2O 4.7E4 2.72 18.2E3 !(142,-142)<TSANG86>
-HCO+O=H+CO2 3.0E13 0. 0. !(143,-143)<BAULCH94>
-HCO+O=OH+CO 3.0E13 0. 0. !(144,-144)<BAULCH94>
-HCO+OH=H2O+CO 1.1E14 0. 0. !(145,-145)<BAULCH94>
-HCO+HCO=CH2O+CO 3.0E13 0. 0. !(146,-146)<BAULCH94>
-!REACTIONS DE CH2O
-CH2O+M=HCO+H+M 4.9E35 -5.54 96.3E3 !(147,-147)<BAULCH94>
-CH2O+M=CO+H2+M 1.1E36 -5.54 96.3E3 !(148,-148)<BAULCH94>
-CH2O+H=HCO+H2 1.3E8 1.62 2.1E3 !(149,-149)<BAULCH94>
-CH2O+CH=CH2CHO 9.6E13 0. -0.5E3 !(150,-150)<BAULCH94average>
-CH2O+CH2(S)=CH3+HCO 1.2E12 0. 0. !(151,-151)<TSANG86>
-CH2O+O=HCO+OH 4.1E11 0.57 2.7E3 !(152,-152)<BAULCH94>
-CH2O+OH=HCO+H2O 3.4E9 1.18 -0.4E3 !(153,-153)<BAULCH94>
-!REACTIONS DE CH3O
-CH3O+M=CH2O+H+M 5.4E13 0. 13.4E3 !(154,-154)<BAULCH94>
-CH3O+H=CH2O+H2 1.8E13 0. 0. !(155,-155)<BAULCH94>
-CH3O+CH2(S)=CH3+CH2O 1.8E13 0. 0. !(156,-156)<TSANG86>
-CH3O+CH2=CH3+CH2O 1.8E13 0. 0. !(157,-157)<TSANG86>
-CH3O+CH3=CH2O+CH4 2.4E13 0. 0. !(158,-158)<TSANG86>
-CH3O+CH3=CH3OCH3 1.2E13 0. 0. !(159,-159)<TSANG86>
-CH3O+CH4=CH3+CH3OH 1.6E11 0. 8.8E3 !(160,-160)<TSANG86>
-CH3O+C2H=CH2O+C2H2 2.4E13 0. 0. !(161,-161)<TSANG86>
-CH3O+C2H3=CH2O+C2H4 2.4E13 0. 0. !(162,-162)<TSANG86>
-CH3O+C2H4=CH2O+C2H5 1.2E11 0. 6.7E3 !(163,-163)<TSANG86>
-CH3O+C2H5=CH2O+C2H6 2.4E13 0. 0. !(164,-164)<TSANG86>
-CH3O+C2H6=C2H5+CH3OH 2.4E11 0. 7.0E3 !(165,-165)<TSANG86>
-CH3O+O=CH2O+OH 1.8E12 0. 0. !(166,-166)<BAULCH94>
-CH3O+OH=CH2O+H2O 1.8E13 0. 0. !(167,-167)<TSANG86>
-CH3O+CO=CH3+CO2 1.6E13 0. 11.7E3 !(168,-168)<TSANG86>
-CH3O+HCO=CH3OH+CO 9.1E13 0. 0. !(169,-169)<TSANG86>
-CH3O+CH2O=CH3OH+HCO 1.0E11 0. 3.0E3 !(170,-170)<TSANG86>
-CH3O+CH3O=CH3OH+CH2O 6.0E13 0. 0. !(171,-171)<TSANG86>
-CH3O+CH3O=CH3OOCH3 1.8E12 0. 0. !(172,-172)<TSANG86>
-!REACTIONS DE CH2OH
-CH2OH+M=H+CH2O+M 4.5E25 -2.5 34.2E3 !(173,-173)<TSANG87>
-CH2OH+H=CH3+OH 9.6E13 0. 0. !(174,-174)<TSANG87>
-CH2OH+H=CH2O+H2 6.0E12 0. 0. !(175,-175)<TSANG87>
-CH2OH+H2=CH3OH+H 6.7E5 2. 13.4E3 !(176,-176)<TSANG87>
-CH2OH+CH2(S)=CH3CHO+H 1.8E13 0. 0. !(177,-177)<TSANG87>
-CH2OH+CH2=C2H4+OH 2.4E13 0. 0. !(178,-178)<TSANG87>
-CH2OH+CH2=CH3+CH2O 1.2E12 0. 0. !(179,-179)<TSANG87>
-CH2OH+CH3=CH4+CH2O 1.4E13 0. 0. !(180,-180)<TSANG87>
-CH2OH+CH3=C2H5OH 1.2E13 0. 0. !(181,-181)<TSANG87>
-CH2OH+CH4=CH3OH+CH3 21.7 3.1 16.2E3 !(182,-182)<TSANG87>
-CH2OH+C2H=C2H2+CH2O 4.8E13 0. 0. !(183,-183)<TSANG87average>
-CH2OH+C2H2=C2H3+CH2O 7.2E11 0. 9.0E3 !(184,-184)<TSANG87>
-CH2OH+C2H3=C2H4+CH2O 3.0E13 0. 0. !(186,-186)<TSANG87>
-CH2OH+C2H5=C2H4+CH3OH 2.4E12 0. 0. !(187,-187)<TSANG87>
-CH2OH+C2H5=C2H6+CH2O 2.4E12 0. 0. !(188,-188)<TSANG87>
-CH2OH+C2H5=NC3H7OH 1.2E13 0. 0. !(189,-189)<TSANG87>
-CH2OH+C2H6=CH3OH+C2H5 199. 3. 14.0E3 !(190,-190)<TSANG87>
-CH2OH+O=CH2O+OH 4.2E13 0. 0. !(191,-191)<TSANG87>
-CH2OH+OH=H2O+CH2O 2.4E13 0. 0. !(192,-192)<TSANG87>
-CH2OH+H2O=CH3OH+OH 1.6E14 0. 26.3E3 !(193,-193)<TSUBOI81NIST>
-CH2OH+HCO=CH3OH+CO 1.2E14 0. 0. !(194,-194)<TSANG87>
-CH2OH+HCO=CH2O+CH2O 1.8E14 0. 0. !(195,-195)<TSANG87>
-CH2OH+CH2O=CH3OH+HCO 5.5E3 2.8 5.9E3 !(196,-196)<TSANG87>
-CH2OH+CH3O=CH3OH+CH2O 2.4E13 0. 0. !(197,-197)<TSANG87>
-CH2OH+CH2OH=CH3OH+CH2O 4.8E12 0. 0. !(198,-198)<TSANG87>
-CH2OH+CH2OH=HOCH2CH2OH 9.6E12 0. 0. !(199,-199)<TSANG87>
-!REACTIONS DE CH3OH
-CH3OH+H=CH3+H2O 2.0E14 0. 5.3E3 !(200,-200)<HIDAKA89NIST>
-CH3OH+H=CH3O+H2 4.2E6 2.1 4.9E3 !(201,-201)<TSANG87>
-CH3OH+CH2(S)=CH2OH+CH3 1.5E12 0. 0. !(202,-202)<TSANG87>
-CH3OH+CH2=CH3+CH2OH 31.9 3.2 7.2E3 !(203,-203)<TSANG87>
-CH3OH+CH2=CH3+CH3O 14.4 3.1 6.9E3 !(204,-204)<TSANG87>
-CH3OH+C2H=C2H2+CH2OH 6.0E12 0. 0. !(205,-205)<TSANG87>
-CH3OH+C2H=C2H2+CH3O 1.2E12 0. 0. !(206,-206)<TSANG87>
-CH3OH+C2H3=C2H4+CH2OH 31.9 3.2 7.2E3 !(207,-207)<TSANG87>
-CH3OH+C2H3=C2H4+CH3O 14.4 3.1 6.9E3 !(208,-208)<TSANG87>
-CH3OH+O=CH2OH+OH 3.4E13 0. 5.5E3 !(209,-209)<GROTHEER81NIST>
-CH3OH+O=CH3O+OH 1.0E13 0. 4.7E3 !(210,-210)<WARNATZ84>
-CH3OH+OH=CH3O+H2O 1.0E13 0. 1.7E3 !(211,-211)<WARNATZ84>
-CH3OH+CH3O=CH3OH+CH2OH 3.0E11 0. 4.1E3 !(212,-212)<TSANG87>
-!REACTIONS DE HCCO
-HCCO+M=CH+CO+M 6.0E15 0. 58.8E3 !(213,-213)<DAGAUT91>
-HCCO+H=CH2+CO 1.5E14 0. 0. !(214,-214)<BAULCH94>
-HCCO+CH2=C2H+CH2O 1.0E13 0. 2.0E3 !(215,-215)<DAGAUT91>
-HCCO+CH2=C2H3+CO 3.0E13 0. 0. !(216,-216)<DAGAUT91>
-HCCO+O=>CO+CO+H 9.6E13 0. 0. !(217) <BAULCH94>
-HCCO+OH=>HCO+CO+H 1.0E13 0. 0. !(218) <DAGAUT91>
-!REACTIONS DE CH2CO
-CH2CO+M=CH2(S)+CO+M 4.1E15 0. 59.3E3 !(219,-219)<DAGAUT91>
-CH2CO+M=HCCO+H+M 2.7E17 0. 87.0E3 !(220,-220)<FRANK86NIST>
-CH2CO+H=CH3+CO 1.8E13 0. 3.4E3 !(221,-221)<BAULCH94>
-CH2CO+H=HCCO+H2 5.0E13 0. 8.0E3 !(222,-222)<DAGAUT91>
-CH2CO+CH2=C2H4+CO 1.3E14 0. 0. !(223,-223)<CANOSA-MAS84NIST>
-CH2CO+O=CH2+CO2 1.8E12 0. 1.3E3 !(224,-224)<DAGAUT91>
-CH2CO+O=HCCO+OH 1.0E13 0. 8.0E3 !(225,-225)<DAGAUT91>
-CH2CO+OH=HCCO+H2O 7.5E12 0. 2.0E3 !(226,-226)<DAGAUT91>
-CH2CO+OH=HCO+CH2O 2.8E13 0. 0. !(227,-227)<VANDOOREN77>
-!REACTIONS DE CH3CO
-CH3CO+H=CH3+HCO 9.6E13 0. 0. !(228,-228)<TSANG86>
-CH3CO+CH2(S)=CH3+CH2CO 1.8E13 0. 0. !(229,-229)<TSANG86>
-CH3CO+CH2=CH3+CH2CO 1.8E13 0. 0. !(230,-230)<TSANG86>
-CH3CO+CH3=CH3COCH3 4.0E15 -0.8 0. !(231,-231)<TSANG86>
-CH3CO+C2H5=C2H5COCH3 3.1E14 -0.5 0. !(232,-232)<TSANG86>
-CH3CO+O=CH3+CO2 9.6E12 0. 0. !(233,-233)<TSANG86>
-CH3CO+OH=CH2CO+H2O 1.2E13 0. 0. !(234,-234)<TSANG86>
-CH3CO+OH=CH3+CO+OH 3.0E13 0. 0. !(235,-235)<TSANG86>
-CH3CO+HCO=CH3CHO+CO 9.0E12 0. 0. !(236,-236)<TSANG86>
-CH3CO+HCO=CH3COCHO 1.8E13 0. 0. !(237,-237)<TSANG86>
-CH3CO+CH2O=CH3CHO+HCO 1.8E11 0. 12.9E3 !(238,-238)<TSANG86>
-CH3CO+CH3O=CH3OH+CH2CO 6.0E12 0. 0. !(239,-239)<TSANG86>
-CH3CO+CH3O=CH2O+CH3CHO 6.0E12 0. 0. !(240,-240)<TSANG86>
-CH3CO+CH2OH=CH3COCH2OH 1.2E13 0. 0. !(241,-241)<TSANG87>
-CH3CO+CH3OH=CH3CHO+CH2OH 4.85E3 3. 12.3E3 !(242,-242)<TSANG87>
-CH3CO+CH3CO=CH3COCOCH3 1.2E13 0. 12.3E3 !(243,-243)<TSANG86>
-CH3CO+CH3CO=CH3CHO+CH2CO 1.2E13 0. 0. !(244,-244)<TSANG86>
-!REACTIONS DE CH2CHO
-CH2CHO=CH3CO 1.0E13 0. 47.0E3!(245,-245)<COLKET75>
-CH2CHO=H+CH2CO 1.6E13 0. 35.0E3!(246,-246)<COLKET75>
-!REACTIONS DE CH3CHO
-CH3CHO+H=H2+CH3CO 4.0E13 0. 4.2E3!(247,-247)<WARNATZ84>
-CH3CHO+CH3=CH3CO+CH4 1.2E11 0. 0. !(248,-248)<COX90mod>
-CH3CHO+C2H3=C2H4+CH3CO 8.1E10 0. 3.7E3!(249,-249)<SCHERZER87>
-CH3CHO+C2H5=C2H6+CH3CO 1.3E12 0. 8.5E3!(250,-250)<HOHLEIN70>
-CH3CHO+O=CH3CO+OH 1.4E13 0. 2.3E3!(251,-251)<COX90>
-CH3CHO+OH=CH3CO+H2O 4.2E12 0. 0.5E3!(252,-252)<COX90>
-CH3CHO+CH3O=CH3CO+CH3OH 2.4E11 0. 1.8E3!(253,-253)<COX90>
-CH3CHO+CH3CO=CH3COCH3+HCO 1.7E11 0. 0. !(254,-254)<GILL81>
-CH3CHO+CH2CHO=CH3CHO+CH3CO 2.5E7 0. 0. !(255,-255)<SCHUCHMANN70>
-!REACTIONS DE C2H4O
-C2H4O=CH4+CO 1.2E13 0. 57.2E3!(256,-256)<LIFSHITZ83>
-C2H4O=CH3CHO 7.3E13 0. 57.2E3!(257,-257)<LIFSHITZ83>
-C2H4O=CH3+HCO 3.6E13 0. 57.2E3!(258,-258)<LIFSHITZ83>
-C2H4O+H=H2+CH2CHO 2.0E13 0. 8.3E3!(259,-259)<LIFSHITZ83>
-C2H4O+H=H2O+C2H3 5.0E9 0. 5.0E3!(260,-260)<LIFSHITZ83>
-C2H4O+H=C2H4+OH 9.5E10 0. 5.0E3!(261,-261)<LIFSHITZ83>
-C2H4O+CH3=CH4+CH2CHO 1.1E12 0. 11.8E3!(262,-262)<BALDWIN84*>
-C2H4O+CH3=C2H5+CH2O 1.4E11 0. 7.6E3!(263,-263)<RANZI94>
-C2H4O+CH3=C2H4+CH3O 1.5E10 0. 7.6E3!(264,-264)<RANZI94>
-C2H4O+C2H=C2H2+CH2CHO 1.2E12 0. 9.8E3!(265,-265)<RANZI94>
-C2H4O+C2H3=C2H4+CH2CHO 2.0E12 0. 9.3E3!(266,-266)<RANZI94>
-C2H4O+C2H5=C2H6+CH2CHO 6.8E11 0. 11.4E3!(267,-267)<RANZI94>
-C2H4O+O=OH+CH2CHO 1.9E12 0. 5.2E3!(268,-268)<BOGAN78NIST>
-C2H4O+OH=H2O+CH2CHO 1.8E13 0. 3.6E3!(269,-269)<BALDWIN84*>
-C2H4O+HCO=CH2O+CH2CHO 3.7E12 0. 15.8E3!(270,-270)<RANZI94>
-C2H4O+CH3O=CH3OH+CH2CHO 1.3E12 0. 5.8E3!(271,-271)<RANZI94>
-C2H4O+CH2OH=CH3OH+CH2CHO 8.4E11 0. 13.4E3!(272,-272)<RANZI94>
-C2H4O+CH3CO=CH3CHO+CH2CHO 4.0E12 0. 17.5E3!(273,-273)<RANZI94>
-C2H4O+CH2CHO=CH3CHO+CH2CHO 6.8E11 0. 15.4E3!(274,-274)<RANZI94>
-!* assuming that C2H3O decompose rapidly to CH2CHO
-!REACTIONS DE C2H5O!
-C2H5O=CH2O+CH3 8.0E13 0. 21.5E3!(276,-276)<BAULCH94>
-C2H5O=CH3CHO+H 2.0E14 0. 23.3E3!(277,-277)<HEICKLEN88>
-!REACTIONS DE C2H5OH
-!C2H5OH+H, O, OH =products no enough data
-!REACTIONS DE O2
-O2+M=O+O+M 1.8E18 -1. 118.1E3 !(278,-278)<TSANG86>
-O2+H=OH+O 9.8E13 0. 14.8E3 !(279,-279)<BAULCH94>
-O2+H+M=HO2+M 6.2E17 -0.8 0. !(280,-280)<BAULCH94>
-O2+C=CO+O 1.2E14 0. 0. !(281,-281)<RANZI94>
-O2+CH=HCO+O 3.3E13 0. 0. !(282,-282)<DAGAUT91>
-O2+CH=CO+OH 2.0E13 0. 0. !(283,-283)<DAGAUT91>
-O2+CH2(S)=>CO+OH+H 3.1E12 0. 0. !(284) <BAULCH94>
-O2+CH2=HCO+OH 4.3E10 0. -0.5E3 !(285,-285)<DAGAUT91>
-O2+CH2=CO2+H2 6.9E11 0. 0.5E3 !(286,-286)<DAGAUT91>
-O2+CH2=>CO2+H+H 1.6E12 0. 1.0E3 !(287) <DAGAUT91>
-O2+CH2=CO+H2O 1.9E10 0. -1.0E3 !(288,-288)<DAGAUT91>
-O2+CH2=>CO+OH+H 8.6E10 0. -0.5E3 !(289) <DAGAUT91>
-O2+CH2=CH2O+O 1.0E14 0. 4.5E3 !(290,-290)<DAGAUT91>
-O2+CH3(+M)=CH3O2(+M) 7.8E8 1.2 0. !(291,-291)<BAULCH94>
- LOW /5.6E25 -3.3 0./
- TROE /0.36 1. 1.0E8/
-O2+CH3=CH3O+O 1.3E14 0. 31.3E3 !(292,-292)<BAULCH94>
-O2+CH3=CH2O+OH 3.0E30 -4.69 36.6E3 !(293,-293)<DAGAUT91>
-O2+CH4=CH3+HO2 4.0E13 0. 56.7E3 !(294,-294)<BAULCH94>
-O2+C2H=CO+HCO 2.4E12 0. 0. !(295,-295)<TSANG86>
-O2+C2H=HCCO+O 6.0E11 0. 0. !(296,-296)<TSANG86>
-O2+C2H2=C2H+HO2 1.2E13 0. 74.5E3 !(297,-297)<TSANG86>
-O2+C2H2=HCCO+OH 2.0E8 1.5 30.1E3 !(298,-298)<DAGAUT91>
-O2+C2H3=C2H2+HO2 1.2E11 0. 0. !(299,-299)<TSANG86>
-O2+C2H3=CH2O+HCO 3.0E12 0. -0.3E3 !(300,-300)<DAGAUT91>
-O2+C2H4=C2H3+HO2 4.2E13 0. 57.4E3 !(301,-301)<TSANG86>
-O2+C2H5=C2H5O2 2.2E10 0.77 -0.6E3 !(301,-301)<WAGNER90>
-O2+C2H5=C2H4+HO2 8.4E11 0. 3.9E3 !(303,-303)<TSANG86>
-O2+C2H5=C2H5O+O 1.2E13 -0.2 27.9E3 !(304,-304)<BOZZELLI90>
-O2+C2H5=CH3CHO+OH 6.0E10 0. 6.9E3 !(305,-305)<TSANG86>
-O2+C2H6=C2H5+HO2 6.0E13 0. 51.7E3 !(306,-306)<BAULCH94>
-O2+OH=HO2+O 2.2E13 0. 52.5E3 !(307,-307)<TSANG86>
-O2+CO=CO2+O 2.5E12 0. 47.7E3 !(308,-308)<TSANG86>
-O2+HCO=CO+HO2 5.1E13 0. 1.7E3 !(309,-309)<TSANG86>
-O2+CH2O=HCO+HO2 2.0E13 0. 38.8E3 !(310,-310)<TSANG86>
-O2+CH3O=CH2O+HO2 2.2E10 0. 1.7E3 !(311,-311)<BAULCH94>
-O2+CH2OH=CH2O+HO2 1.2E12 0. 0. !(312,-312)<TSANG87>
-O2+CH3OH=CH2OH+HO2 2.0E13 0. 44.9E3 !(313,-313)<TSANG87>
-O2+HCCO=>CO+CO+OH 1.5E12 0. 2.5E3 !(314) <DAGAUT91>
-O2+CH2CO=CH2O+CO2 1.0E8 0. 0. !(315,-315)<DAGAUT91>
-O2+CH3CO=CH3CO3 2.4E12 0. 0. !(316,-316)<COX90>
-O2+CH2CHO=>CH2O+OH+CO 5.9E9 0. -1.4E3 !(317) <COX90>
-O2+CH2CHO=CH2CO+HO2 1.0E10 0. -1.4E3 !(318,-318)<COX90>
-O2+CH3CHO=CH3CO+HO2 5.0E13 0. 36.4E3 !(319,-319)<COX90>
-O2+C2H4O=HO2+CH2CHO 5.0E13 0. 48.0E3 !(320,-320)<RANZI94>
-O2+C2H5O=CH3CHO+HO2 6.0E10 0. 1.7E3 !(321,-321)<BAULCH94>
-!REACTIONS DE HO2
-HO2+H=H2+O2 4.3E13 0. 1.4E3 !(322,-322)<BAULCH94>
-HO2+H=2OH 1.7E14 0. 0.9E3 !(323,-323)<BAULCH94>
-HO2+H=H2O+O 3.0E13 0. 1.7E3 !(324,-324)<BAULCH94>
-HO2+CH2(S)=CH2O+OH 3.0E13 0. 0. !(325,-325)<TSANG86>
-HO2+CH2=CH2O+OH 1.8E13 0. 0. !(326,-326)<TSANG86>
-HO2+CH3=CH3O+OH 1.8E13 0. 0. !(327,-327)<BAULCH94>
-HO2+CH4=CH3+H2O2 9.0E12 0. 24.6E3 !(328,-328)<BAULCH94>
-HO2+C2H=HCCO+OH 1.8E13 0. 0. !(329,-329)<TSANG86>
-HO2+C2H2=CH2CO+OH 6.0E9 0. 8.0E3 !(330,-330)<TSANG86>
-HO2+C2H3=>OH+CH3+CO 3.0E13 0. 0. !(331) <TSANG86>
-HO2+C2H4=CH3CHO+OH 6.0E9 0. 7.9E3 !(332,-332)<TSANG86>
-HO2+C2H4=C2H4O+OH 2.2E12 0. 17.2E3 !(333,-333)<BAULCH94>
-HO2+C2H5=>CH3+CH2O+OH 2.4E13 0. 0. !(334) <TSANG86>
-HO2+C2H5=C2H4+H2O2 3.0E11 0. 0. !(335,-335)<TSANG86>
-HO2+C2H6=C2H5+H2O2 1.3E13 0. 20.4E3 !(336,-336)<BAULCH94>
-HO2+OH=H2O+O2 2.9E13 0. -0.5E3 !(337,-337)<BAULCH94>
-HO2+CO=CO2+OH 1.5E14 0. 23.6E3 !(338,-338)<TSANG86>
-!-------------------------------------------------------------------------------------!
-!fittings (20/12/94, F. Battin-Leclerc) on CH4-02 system in PSR between 500 and 1300C!
-!HO2+CO=CO2+OH 3.0E13 0. 23.6E3! !(338,-338)<TSANG86/5>
-!-------------------------------------------------------------------------------------!
-HO2+HCO=>OH+H+CO2 3.0E13 0. 0. !(339) <TSANG86>
-HO2+CH2O=HCO+H2O2 3.0E12 0. 13.0E3 !(340,-340)<BAULCH94>
-HO2+CH3O=CH2O+H2O2 3.0E11 0. 0. !(341,-341)<TSANG86>
-HO2+CH2OH=CH2O+H2O2 1.2E13 0. 0. !(342,-342)<TSANG87>
-HO2+CH3OH=CH2OH+H2O2 9.6E10 0. 12.6E3 !(343,-343)<TSANG87>
-HO2+CH3CO=>CH3+CO2+OH 3.0E13 0. 0. !(344)<TSANG86>
-HO2+CH3CHO=CH3CO+H2O2 1.0E12 0. 10.0E3 !(345,-345)<COX90>
-HO2+C2H4O=H2O2+CH2CHO 1.6E12 0. 15.0E3 !(346,-346)<RANZI94>
-HO2+HO2=H2O2+O2 1.9E12 0. 1.5E3 !(347,-347)<BAULCH92>
- DUPLICATE
-HO2+HO2=H2O2+O2 1.3E11 0. -1.7E3 !(347,-347)<BAULCH 94>
- DUPLICATE
-!REACTIONS DE H2O2
-H2O2(+M)=OH+OH(+M) 3.0E14 0. 48.3E3 !(348,-348)<BAULCH94>
- LOW /1.2E17 0. 45.3E3/
-H2O2+H=H2+HO2 1.7E12 0. 3.7E3 !(349,-349)<BAULCH94>
-H2O2+H=H2O+OH 1.0E13 0. 3.6E3 !(350,-350)<BAULCH94>
-H2O2+CH2(S)=CH3O+OH 3.0E13 0. 0. !(351,-351)<TSANG86>
-H2O2+C2H3=C2H4+HO2 1.2E10 0. -0.6E3 !(352,-352)<TSANG86>
-H2O2+O=OH+HO2 6.6E11 0. 4.0E3 !(353,-353)<BAULCH94>
-H2O2+OH=H2O+HO2 7.8E12 0. 1.3E3 !(354,-354)<BAULCH94>
-!REACTIONS DE CO2
-CO2+CH2=CH2O+CO 2.3E10 0. 0. !(355,-355)<TSANG86>
-!REACTIONS DE CH3O2
-CH3O2=CH2O+OH 1.5E13 0. 47.0E3 !(356,-356)<RANZI94>
-CH3O2+H=CH3O+OH 9.6E13 0. 0. !(357,-357)<TSANG86>
-CH3O2+H2=CH3O2H+H 3.0E13 0. 26.0E3 !(358,-358)<TSANG86>
-CH3O2+CH2(S)=CH2O+CH3O 1.8E13 0. 0. !(359,-359)<TSANG86>
-CH3O2+CH2=CH2O+CH3O 1.8E13 0. 0. !(360,-360)<TSANG86>
-CH3O2+CH3=CH3O+CH3O 5.0E12 0. -1.4E3 !(361,-361)<COX90>
-CH3O2+CH4=CH3O2H+CH3 1.8E11 0. 18.5E3 !(362,-362)<TSANG86>
-CH3O2+C2H=CH3O+HCCO 2.4E13 0. 0. !(363,-363)<TSANG86>
-CH3O2+C2H2=CH3O2H+C2H 5.6E11 0. 24.5E3 !(364,-364)<RANZI94>
-CH3O2+C2H3=CH3O+CH2CHO 2.4E13 0. 0. !(365,-365)<TSANG86>
-!* assuming that C2H3O decompose rapidly to CH2CHO
-CH3O2+C2H4=CH3O+C2H4O 1.1E15 0. 20.0E3 !(366,-366)<NIKISHA81/MOSHKINA80>
-CH3O2+C2H4=CH3O2H+C2H3 3.9E12 0. 24.5E3 !(367,-367)<RANZI94>
-CH3O2+C2H5=CH3O+C2H5O 2.4E13 0. 0. !(368,-368)<TSANG86>
-CH3O2+C2H6=CH3O2H+C2H5 2.9E11 0. 14.9E3 !(369,-369)<TSANG86>
-CH3O2+O=CH3O+O2 3.6E13 0. 0. !(370,-370)<TSANG86>
-CH3O2+OH=CH3OH+O2 6.0E13 0. 0. !(371,-371)<TSANG86>
-CH3O2+OH=CH3O+HO2 3.0E12 0. 0. !(372,-372)<RANZI94>
-CH3O2+CO=CH3O+CO2 1.0E14 0. 24.0E3 !(373,-373)<RANZI94>
-CH3O2+HCO=>CH3O+H+CO2 3.0E13 0. 0. !(374)<TSANG86>
-CH3O2+CH2O=CH3O2H+HCO 1.0E12 0. 12.1E3 !(375,-375)<COX90>
-CH3O2+CH3O=CH2O+CH3O2H 3.0E11 0. 0. !(376,-376)<TSANG86>
-CH3O2+CH2OH=>CH3O+OH+CH2O 1.2E13 0. 0. !(377)<TSANG87>
-CH3O2+CH3OH=CH3O2H+CH2OH 1.8E12 0. 13.7E3 !(378,-378)<TSANG87>
-CH3O2+CH3OH=CH3O2H+CH3O 2.8E11 0. 18.8E3 !(379,-379)<RANZI94>
-CH3O2+CH2CO=CH3O2H+HCCO 1.7E12 0. 27.0E3 !(380,-380)<RANZI94>
-CH3O2+CH3CO=CH3+CO2+CH3O 2.4E13 0. 0. !(381,-381)<TSANG86>
-CH3O2+CH3CHO=CH3O2H+CH3CO 1.0E12 0. 12.1E3 !(382,-382)<COX90>
-CH3O2+CH3CHO=CH3O2H+CH2CHO 1.7E12 0. 19.2E3 !(383,-383)<RANZI94>
-CH3O2+C2H4O=CH3O2H+CH2CHO 2.2E12 0. 16.0E3 !(384,-384)<RANZI94>
-CH3O2+HO2=CH3O2H+O2 2.5E11 0. -1.6E3 !(385,-385)<BAULCH94>
-CH3O2+HO2=>O2+CH2O+H2O 5.0E10 0. 0. !(386)<RANZI94>
-CH3O2+H2O2=CH3O2H+HO2 2.4E12 0. 9.9E3 !(387,-387)<TSANG86>
-CH3O2+CH3O2=CH3OH+CH2O+O2 2.5E10 0. -0.8E3 !(388,-388)<BAULCH94>
-CH3O2+CH3O2=CH3O+CH3O+O2 2.5E10 0. -0.8E3 !(389,-389)<BAULCH94>
-!REACTIONS DE CH3O2H
-CH3O2H=CH3O+OH 6.0E14 0. 42.3E3 !(390,-390)<BAULCH94>
-CH3O2H+O=CH3O2+OH 2.0E13 0. 4.8E3 !(391,-391)<BAULCH94average>
-CH3O2H+OH=H2O+CH3O2 1.8E12 0. -0.37E3 !(392,-392)<BAULCH94average>
-CH3O2H+CH3O=>CH3OH+OH+CH2O 1.5E11 0. 6.5E3 !(393)<RANZI94>
-!REACTIONS DE C2H5O2
-C2H5O2=C2H4O2H 4.2E12 0. 36.9E3 !(394,-394)<PILLING94>
-C2H5O2+H2=C2H5O2H+H 7.9E12 0. 21.0E3 !(395,-395)<RANZI94>
-C2H5O2+CH3=C2H5O+CH3O 2.0E12 0. -1.2E3 !(396,-396)<RANZI94>
-C2H5O2+CH4=C2H5O2H+CH3 3.9E12 0. 24.0E3 !(397,-397)<RANZI94>
-C2H5O2+C2H2=C2H5O2H+C2H 5.6E11 0. 24.4E3 !(398,-398)<RANZI94>
-C2H5O2+C2H4=C2H5O2H+C2H3 3.9E12 0. 24.4E3 !(399,-399)<RANZI94>
-C2H5O2+C2H4=C2H5O+C2H4O 2.3E16 0. 21.9E3 !(400,-400)<MOSHKINA80>
-C2H5O2+C2H6=C2H5O2H+C2H5 5.1E12 0. 19.5E3 !(401,-401)<RANZI94>
-C2H5O2+H2O=C2H5O2H+OH 5.6E12 0. 30.6E3 !(402,-402)<RANZI94>
-C2H5O2+CO=CO2+C2H5O 1.0E14 0. 24.0E3 !(403,-403)<RANZI94>
-C2H5O2+CH2O=C2H5O2H+HCO 4.5E12 0. 14.4E3 !(404,-404)<RANZI94>
-C2H5O2+CH3OH=C2H5O2H+CH3O 2.8E11 0. 18.4E3 !(405,-405)<RANZI94>
-C2H5O2+CH3OH=C2H5O2H+CH2OH 2.8E12 0. 19.5E3 !(406,-406)<RANZI94>
-C2H5O2+CH2CO=C2H5O2H+HCCO 1.7E12 0. 24.4E3 !(407,-407)<RANZI94>
-C2H5O2+CH3CHO=C2H5O2H+CH3CO 3.9E12 0. 14.4E3 !(408,-408)<RANZI94>
-C2H5O2+CH3CHO=C2H5O2H+CH2CHO 1.7E12 0. 19.5E3 !(409,-409)<RANZI94>
-C2H5O2+C2H4O=C2H5O2H+CH2CHO 2.2E12 0. 16.3E3 !(410,-410)<RANZI94>
-C2H5O2+HO2=O2+C2H5O2H 3.9E11 0. -1.3E3 !(411,-411)<BAULCH89>
-!Rate constant measured between 240 and 380K
-C2H5O2+H2O2=C2H5O2H+HO2 4.5E11 0. 10.8E3 !(412,-412)<RANZI94>
-C2H5O2+CH3O2=>C2H5O+CH3O+O2 2.0E11 0. 0. !(413)<RANZI94>
-C2H5O2+CH3O2H=C2H5O2H+CH3O2 1.1E12 0. 16.3E3 !(414,-414)<RANZI94>
-C2H5O2+C2H5O2=2C2H5O+O2 4.1E10 0. 0.2E3 !(415,-415)<LIGHTFOOT92>
-C2H5O2+C2H5O2=C2H5OH+CH3CHO+O2 1.8E10 0. 0.2E3 !(416,-416)<LIGHTFOOT92>
-!REACTIONS DE C2H4O2H
-C2H4O2H=C2H4O+OH 1.5E11 0. 20.0E3 !(417,-417)<RANZI94>
-C2H4O2H=CH2OH+CH2O 2.5E13 0. 27.5E3 !(418,-418)<RANZI94>
-C2H4O2H=C2H4+HO2 2.0E13 0. 23.5E3 !(419,-419)<RANZI94>
-!REACTIONS DE C2H5O2H
-C2H5O2H=C2H5O+OH 4.0E15 0. 42.9E3 !(420,-420)<BAULCH94>
-C2H5O2H+H=>CH3CHO+OH+H2 3.2E13 0. 7.7E3 !(421)<RANZI94>
-C2H5O2H+CH3=>CH3CHO+OH+CH4 5.7E11 0. 8.7E3 !(422)<RANZI94>
-C2H5O2H+C2H=>CH3CHO+OH+C2H2 6.0E11 0. 9.2E3 !(423)<RANZI94>
-C2H5O2H+C2H3=>CH3CHO+OH+C2H4 1.0E12 0. 8.7E3 !(424)<RANZI94>
-C2H5O2H+C2H5=>CH3CHO+OH+C2H6 3.4E11 0. 11.4E3 !(425)<RANZI94>
-C2H5O2H+OH=>CH3CHO+OH+H2O 5.9E12 0. 0.9E3 !(426)<RANZI94>
-C2H5O2H+HCO=>CH3CHO+OH+CH2O 1.8E12 0. 16.7E3 !(427)<RANZI94>
-C2H5O2H+CH3O=>CH3CHO+OH+CH3OH 6.3E11 0. 5.5E3 !(428)<RANZI94>
-C2H5O2H+CH2OH=>CH3CHO+OH+CH3OH 4.2E11 0. 13.6E3 !(429)<RANZI94>
-C2H5O2H+CH3CO=>2CH3CHO+OH 2.0E12 0. 18.5E3 !(430)<RANZI94>
-C2H5O2H+CH2CHO=>2CH3CHO+OH 3.4E11 0. 15.7E3 !(431)<RANZI94>
-C2H5O2H+HO2=>CH3CHO+OH+H2O2 8.0E11 0. 16.2E3 !(432)<RANZI94>
-C2H5O2H+CH3O2=>CH3CHO+OH+CH3O2H 1.1E12 0. 16.7E3 !(433)<RANZI94>
-C2H5O2H+C2H5O2=>CH3CHO+OH+C2H5O2H 1.1E12 0. 16.7E3 !(434)<RANZI94>
-!REACTIONS DE CH3CO3
-CH3CO3+C2H4O=CH3CO3H+CH2CHO 1.0E12 0. 9.3E3 !(435,-436)<RANZI94>
-CH3CO3+HO2=CH3CO3H+O2 5.5E10 0. -2.6E3 !(436,-436)<COX90>
-CH3CO3+C2H5O2H=CH3CO3H+C2H5O2 5.0E11 0. 9.2E3 !(437,-437)<RANZI94>
-CH3CO3+C2H5O2H=>CH3CHO+OH+CH3CO3H 5.0E11 0. 9.2E3 !(438)<RANZI94>
-CH3CO3+CH3CO3=>2CH3+O2+2CO2 1.7E12 0. -1.0E3 !(439)<COX90>
-!REACTIONS DE CH3CO3H
-CH3CO3H=>CH3+CO2+OH 1.0E16 0. 40.0E3 !(440)<COX90>
-END
-!REFERENCES!
-!Aders, W.-K.; und Wagner, H.Gg.(1973), "Untersuchungen zur Reaktion von
-!Wasserstoffatomen mit Aethanol und ter.Butanol, Ber. Bunsenges. Phys. Chem.,
-!77, 712.
-!Baulch, D. L.; Cobos, C. J.; Cox, R. A.; Frank, P.; Hayman, G.; Just, Th.;
-!Kerr, J. A.; Murrells, T.; Pilling, M. J.; Troe, J.; Walker, R. W. and
-!Warnatz, J. (1994), "Summary Table of Evaluated Kinetic Data for Combustion
-!Modeling : Supplement 1", Comb. Flam., 98, 59.
-!Baulch, D. L.; Cobos, C. J.; Cox, R. A.; Esser, C.; Frank, P.; Just, Th;
-!Kerr, J. A.; Pilling, M. J.; Troe, J.; Walker, R. W. and Warnatz, J.(1992),
-!"Evaluated kinetic data for combustion modelling", J. Phys. Chem. Ref. Data,
-!21, 411.
-!Bogan, D.J.; Hand, C.W.(1978), "Absolute Rate Constant, Kinetic Isotope
-!Effect,and Mechanism of the Reaction of Ethylene Oxide with Oxygen(3P)atoms,
-!J. Phys. Chem., 82, 2067.
-!Bozzelli, J.W.; Dean, A.M. (1990), "Chemical activation analysis of the
-!reaction of C2H5 with O2, J. Phys. Chem., 94, 3313.
-!Canosa-Mas, C.E.; Frey, H. M. and Walsh, R. (1984), "Studies of Methylene
-!Chemistry by Pulsed Laser-Induced Decomposition of Ketene. Part 1.-Ketene in
-!the presence of noble gases", J. Chem. Soc. Faraday Trans. 2, 80, 561.
-!Cavanagh, J.; Cox, R. A. and Olson, G. (1990), "Computer Modeling of Cool
-!Flames and Ignition of Acetaldehyde", Combustion and Flame, 82, 15-39.
-!Colket, M. B., III.; Naegeli, D. W. and Glassman, I. (1975),
-!"High-Temperature Pyrolysis of Acetaldehyde", Int. J. Chem. Kinet., 7, 223.
-!Dagaut, P.; Boettner, J. C. and Cathonnet, M. (1991), "Methane Oxidation:
-!Experimental and Kinetic Modeling Study", Combust. Sci. and Tech., 77, 127.
-!Dean, A. J.; Davidson, D. F.; Hanson, R. K. (1991), "A shock tube study of
-!reactions of C atoms with H2 and O2 using excimer photolysis of C3O2 and C
-!atom atomic resonance absorption spectroscopy", J. Phys. Chem., 95, 183.
-!Dean, A. M.; Westmoreland, P. R. (1987), "Bimolecular QRRK analyses of
-!methyl radical reactions, Int. J. Chem. Kinet., 19, 207.
-!Duran, R. P.; Amorebieta, V. T.; Colussi, A. J. (1989), "Lack of kinetic
-!hydrogen isotope effect in acetylene pyrolysis", Int. J. Chem. Kinet., 21,
-!847.
-!Fahr, A.; Stein, S. E. (1989), "Reactions of vinyl and phenyl radicals with
-!ethyne, ethene and benzene", Symp. (Int.) Combust., <Proc.>, 22, 1023.
-!Frank, P. (1986), "A high temperature shock tube study on fast reactions of
-!methylene and methyl radicals", Proc. Int. Symp. Rarefield Gas Dyn., 2, 422.
-!Frank, P.; Bhaskaren, K.A. and Just, Th. (1986), "High-temperature reaction
-!of triplet methylene and ketene with radicals", J. Phys. Chem., 90, 2226.
-!Glarborg, P.; Kee, R. J. and Miller, J. A. (1986), Combust. Flame, 65, 177.
-!Grotheer, H. H. and Just, Th. (1981), "Kinetics of the Oxidation of Methanol
-!by Ground-State Atomic Oxygen", Chem. Phys. Lett., 78, 71.
-!Herron, J.T.(1988), "Evaluated chemical kinetic data for the reactions of
-!atomic oxygen O(3P) with saturated organic compounds in the gas phase,
-!J. Phys. Chem. Ref. Data, 17, 967.
-!Hidaka, Y.; Oki, T. and Kawano, H. (1989), "Thermal decomposition of
-!methanol in shock Waves", J. Phys. Chem., 93, 7134.
-!Hohlein, G.; Freeman, G. R. (1970), "Radiation-sensitized pyrolysis of
-!diethyl ether. Free-radical rate parameters", J. Am. Chem. Soc., 92, 6118.
-!Lesclaux, R.; Roussel, P.; Veyret, B. and Pouchan, C. (1986), "Gas-Phase
-!reactivity of the HCO radical with unsaturated hydrocarbons : An
-!experimental and theoretical study", J. Am. Chem. Soc., 108, 3872.
-!Lifshitz, A. and Ben-Hamou, H.(1983), "Thermal reactions of cyclic ethers
-!at high temperatures.1. Pyrolysis of ethylene oxide behind reflected shocks,
-!J. Phys. Chem., 87, 1782.
-!Lightfoot, P.D.; Cox, R.A.; Crowley, J.N.; Destriau, M.; hayman, G.D.;
-!Jenkin, M.E.; Moortgat, G.K.; Zabel, F. (1992),
-!"Organic peroxy radicals: kinetics, spectroscopy and tropospheric chemistry"! Atmos. Environ.,
-! A, 26, 1805-1961.
-!Mahmud, K.; Marshall, P.; Fontijn, A. (1987), "A high-temperature
-!photochemistry kinetics study of the reaction of O(3P) atoms with ethylene
-!from 290 to 1510 K", J. Phys. Chem., 91, 1568.
-!Moshkina, R.I.; Polyak, S.S.; Sokolova, N.A.; Masterovoi, I.F.and Nalbandyan!, A.B. (1980),
-!"Study of the ethane oxidation reaction by the kinetic tracer method",
-!Int. J. Chem. Kinet., 12, 315.
-!Murrell, J. N.; Rodriguez, J. A. (1986), "Predicted rate constants for the
-!exothermic reactions of ground state oxygen atoms and CH radicals",
-!J. Molec. Struct. (Theochem), 139, 267.
-!Nikisha, L.V.; Moshkina, R.I.; Polyak, S.S.; Vedeneev, V.I.(1981),
-!"Reactions of Methyl Peroxide Radicals with Ethylene",Kinet. Catal.,22,1104.
-!Pilling, M.J. (1994), "Elemetary Radical Reactions and Autoignition",
-!13th International Symposium on Gas kinetics - University College Dublin.
-!Ranzi, E.; Faravelli, T.; Gaffuri, P. and Sogaro, A. (1994),
-!"Low temperature combustion : automatic generation of primary oxidation reactions",
-!Comb. Flam. (submitted)
-!Scherzer, K.; Loser, U.; Stiller, W. (1987), "BSBL-Rechnungen zu
-!Wasserstoffabspaltungsreaktionen durch alkenylradikale; Vinylradikale",
-!Z. Chem., 27, 300.
-!Schumann, H.-P.; Laidler, K. J., "The ethenoxy radical in the pyrolysis of
-!acetaldehyde", Can. J. Chem., 48, 2315.
-!Tsang, W. (1976),"Thermal stability of alcohols",Int. J. Chem. Kinet.,8,173.
-!Tsang, W. and Hampson, R. F.(1986), "Chemical Kinetic Data Base for
-!Combustion Chemistry. Part I. Methane and Related Compounds", J. Phys. Chem.
-!Ref. Data, 15(3), 1087.
-!Tsang, W. (1987), "Chemical Kinetic Data Base for Combustion Chemistry. Part
-!2. Methanol", J. Phys. Chem. Ref. Data, 16(3), 471.
-!Tsuboi, T. and Hashimoto, K. (1981), "Shock Tube Study on Homogeneous
-!Oxidation of Methanol", Combust. Flame, 42, 61.
-!Vandooren, J.; Van Tiggelen, P. J. (1977), "Reaction mechanisms of
-!combustion in low pressure acetylene-oxygen flames", Symp. Int. Combust.
-!Proc., 16, 1133.
-!Wagner, A. F., Slage, I. R.; Sarzynski, D.; Gutman, D. (1990), "Experimental
-!and theoretical studies of the C2H5+O2 reaction kinetics", J. Phys. Chem.,
-!94, 1853.
-!Warnatz, J. (1984), "Rate coefficients in the C/H/O system", Combustion
-!Chemistry (ed. W. C. Gardiner, Jr.) Springer-Verlag, NY, 197.
diff --git a/applications/test/readCHEMKINIII/CHEMKINdata/chem.inp_sih4 b/applications/test/readCHEMKINIII/CHEMKINdata/chem.inp_sih4
deleted file mode 100644
index 19ceca3..0000000
--- a/applications/test/readCHEMKINIII/CHEMKINdata/chem.inp_sih4
+++ /dev/null
@@ -1,117 +0,0 @@
-ELEMENTS
- H O N SI
-END
-SPECIES
-H2 O2 OH H H2O O H2O2 HO2
-SIH4 SIH3 SIH2 SIH SIO SIO2 HSIO SIH2O SIH3O SIH3O2 SIH4O2
-N2
-END
-THERMO
-SIH3O SI 1.H 3.O 1. N 0. G 300.000 5000.000 1
- 0.37707966E+01 0.78711497E-02-0.26563839E-05 0.39444314E-09-0.21126164E-13 2
--0.13296131E+04 0.59295750E+01 0.21062040E+01 0.72165951E-02 0.53384720E-05 3
--0.73776363E-08 0.20756105E-11-0.47884505E+03 0.16152177E+02 4
-SIH3O2 SI 1.H 3.O 2. N 0. G 300.000 5000.000 1
- 0.66812963E+01 0.80057271E-02-0.27188507E-05 0.40631365E-09-0.21927725E-13 2
--0.42105544E+04-0.99423847E+01 0.20986490E+01 0.15786357E-01 0.75683261E-05 3
--0.11274587E-07 0.56665133E-11-0.26671854E+04 0.15007068E+02 4
-SIH4O2 SI 1.H 4.O 2. N 0. G 300.000 5000.000 1
- 0.66812963E+01 0.80057271E-02-0.27188507E-05 0.40631365E-09-0.21927725E-13 2
--0.42105544E+04-0.99423847E+01 0.20986490E+01 0.15786357E-01 0.75683261E-05 3
--0.11274587E-07 0.56665133E-11-0.26671854E+04 0.15007068E+02 4
-SIH2O SI 1.H 2.O 1. N 0. G 300.000 5000.000 1
- 0.32939910E+01 0.59522360E-02-0.21083880E-05 0.33459980E-09-0.19750180E-13 2
--0.13283760E+04 0.70293210E+01 0.32032740E+01 0.44987760E-02-0.45214720E-05 3
- 0.10444300E-07-0.61720710E-11-0.12958860E+05 0.84842740E+01 4
-HSIO SI 1.H 1.O 1. N 0. G 300.000 5000.000 1
- 0.34714290E+01 0.31057530E-02-0.11005030E-05 0.17477250E-09-0.10263730E-13 2
- 0.30103527E+04 0.79153820E+01 0.30781400E+01 0.10178940E-01-0.31701710E-04 3
- 0.43635320E-08-0.19549500E-10 0.31101614E+04 0.92575020E+01 4
-SIO SI 1.H 0.O 1. N 0. G 300.000 5000.000 1
- 3.74788350E+00 8.19919430E-04-3.25253960E-07 5.73249620E-11-3.51089440E-15 2
--1.33174300E+04 3.66100339E+00 3.25282760E+00 4.18231260E-04 3.78062020E-06 3
--5.10244830E-09 1.94713170E-12-1.30903400E+04 6.66174329E+00 4
-SIO2 SI 1.H 0.O 2. N 0. S 300.000 5000.000 1
- 0.63467463E+01 0.21952215E-02 0.0 0.0 0.0 2
--0.11154241E+06-0.32060643E+02 0.63467463E+01 0.21952215E-02 0.0 3
- 0.0 0.0 -0.11154241E+06-0.32060643E+02 4
-END
-REACTIONS
- H2 + O2 = OH + OH 6.700E+13 0.00 47780.
- H2 + OH = H2O + H 1.170E+09 1.30 3626.
- O + OH = O2 + H 5.000E+14 -0.50 0.
-!H + O2 = O + OH 1.940E+14 0.00 16440.
- O + H2 = OH + H 5.060E+04 2.67 6290.
- H + O2 + M = HO2 + M 2.800E+19 -1.25 0.
- H2/2.5/ H2O/12.5/
-!OH + HO2 = H2O + O2 7.500E+12 0.00 0.
- OH + HO2 = H2O + O2 7.890E+13 0.00 -497.
-!H + HO2 = OH + OH 1.400E+14 0.00 1073.
- H + HO2 = OH + OH 1.690E+14 0.00 874.
- O + HO2 = O2 + OH 2.400E+13 0.00 1073. ! 1.4
- OH + OH = O + H2O 6.000E+08 1.30 0.
- H + H + M = H2 + M 1.000E+18 -1.00 0.
- H2/0.0/ H2O/0./
- H + H + H2 = H2 + H2 9.200E+16 -0.60 0.
- H + H + H2O = H2 + H2O 6.000E+19 -1.25 0.
- H + OH + M = H2O + M 1.600E+22 -2.00 0.
- H + O + M = OH + M 6.200E+16 -0.60 0.
- O + O + M = O2 + M 1.890E+13 0.00 -1788.
-!H + HO2 = H2 + O2 1.250E+13 0.00 0.
- H + HO2 = H2 + O2 6.280E+13 0.00 1411.
-!HO2 + HO2 = H2O2 + O2 2.000E+12 0.00 0.
- HO2 + HO2 = H2O2 + O2 4.200E+14 0.00 12000.
-DUPLICATE
- HO2 + HO2 = H2O2 + O2 1.300E+11 0.00 -1640.
-DUPLICATE
- H2O2 + M = OH + OH + M 6.300E+17 0.00 45500.
- H2O2 + H = HO2 + H2 1.600E+12 0.00 3800.
- H2O2 + OH = H2O + HO2 1.300E+11 0.00 -1630.
-DUPLICATE
- H2O2 + OH = H2O + HO2 5.800E+14 0.00 9560.
-DUPLICATE
- H + HO2 = O + H2O 3.100E+10 0.00 3590.
- O + OH + M = HO2 + M 1.000E+16 0.00 0.
- H2O2 + H = H2O + OH 1.000E+13 0.00 3590.
- H2O2 + O = H2O + O2 8.400E+11 0.00 4260.
- H2O2 + O = OH + HO2 2.000E+13 0.00 5900.
- H2 + HO2 = H2O + OH 2.100E+13 0.00 18800.
- SIH4 = SIH2 + H2 1.000E+13 0.00 52700.
- SIH2 + O2 = HSIO + OH 3.200E+14 0.00 8000.
- SIH2 + H2O = SIH2O + H2 3.000E+12 0.00 11400.
- SIH4 + O2 = SIH3 + HO2 4.000E+13 0.00 42800.
- SIH4 + H = SIH3 + H2 5.000E+12 0.00 2500.
- SIH4 + O = SIH3 + OH 4.200E+12 0.00 1600.
- SIH4 + OH = SIH3 + H2O 9.400E+12 0.00 100.
- SIH4 + HO2 = SIH3 + H2O2 2.000E+12 0.00 10000.
- SIH4 + SIH3O2 = SIH3 + SIH4O2 1.100E+13 0.00 18500.
- SIH3 + O2 = SIH3O2 2.000E+15 0.00 1200.
- SIH3O2 = SIH3O + O 2.000E+13 0.00 34000. ! 5.e12
- SIH3O2 = SIH2O + OH 3.000E+12 0.00 4000.
- SIH3O2+ HO2 = SIH4O2+ O2 3.000E+11 0.00 0.
- SIH4O2+ H = SIH3O2+ H2 4.800E+13 0.00 7950.
- SIH4O2 = SIH3O + OH 6.500E+14 0.0 48700.
- SIH3 + O2 = SIH3O + O 1.000E+13 0.00 0. ! 2
- SIH3O + O2 = SIH2O + HO2 2.000E+13 0.00 0.
- SIH3 + H = SIH2 + H2 2.000E+13 0.00 0.
- SIH3 + O = SIH2O + H 2.000E+13 0.00 0.
- SIH3 + OH = SIH2O + H2 6.000E+12 0.00 0.
- SIH3 + HO2 = SIH2 + H2O2 2.000E+13 0.00 0.
- SIH3 + SIH3 = SIH2 + SIH4 2.000E+12 0.00 0.
- SIH2O + O2 = HSIO + HO2 4.000E+14 0.00 35000.
- SIH2O + M = HSIO + H + M 2.000E+15 0.00 84500.
- SIH2O + H = HSIO + H2 5.300E+14 0.00 10500.
- SIH2O + O = HSIO + OH 1.800E+13 0.00 3080.
- SIH2O + OH = HSIO + H2O 7.500E+12 0.00 170.
- SIH2O + HO2 = HSIO + H2O2 1.000E+13 0.00 12000.
- HSIO + M = H + SIO + M 5.000E+14 0.00 29000.
- HSIO + O2 = SIO + HO2 3.000E+13 0.00 0.
- HSIO + H = SIO + H2 2.000E+14 0.00 0.
- HSIO + O = SIO + OH 1.000E+14 0.00 0.
- HSIO + OH = SIO + H2O 1.000E+14 0.00 0.
- HSIO + HO2 = SIO + H2O2 1.000E+14 0.00 0.
- SIO + OH = SIO2 + H 4.000E+12 0.00 5700.
- SIO + HO2 = SIO2 + OH 1.000E+12 0.00 0.
- SIO + O + M = SIO2 + M 2.500E+15 0.00 4370.
- SIO + O2 = SIO2 + O 4.000E+13 0.00 6500.
-END
diff --git a/applications/test/readCHEMKINIII/CHEMKINdata/ckinterp.f b/applications/test/readCHEMKINIII/CHEMKINdata/ckinterp.f
deleted file mode 100644
index 01f4184..0000000
--- a/applications/test/readCHEMKINIII/CHEMKINdata/ckinterp.f
+++ /dev/null
@@ -1,3296 +0,0 @@
-C
- PROGRAM CKINTP
-C
-C----------------------------------------------------------------------C
-C VERSION 3.6
-C CHANGES FROM VERSION 1.0
-C 1. Changed from REAL*8 to DOUBLE PRECISION
-C CHANGES FROM VERSION 1.1
-C 1. Changed CHARACTER*100 to CHARACTER*80
-C 2. Added THERMO "ALL" option
-C 3. Write LENICK, LENRCK, LENCCK to binary file
-C 4. Allow reaction species to end in '=' or '-'
-C 5. Allow real values of elemental composition in THERMO cards
-C 6. Allow upper/lower case input
-C CHANGES FROM VERSION 1.2
-C 1. Reaction delimiters are now "=" or "<=>" if reversible,
-C " =>" if irreversible.
-C 2. Fixed an error with IFIRCH(LINE) in IPPLEN
-C CHANGES FROM VERSION 1.3
-C 1. Add "unix" change blocks
-C CHANGES FROM VERSION 1.4
-C 1. Modify OPEN statements
-C CHANGES FROM VERSION 1.5
-C 1. Correct molecules to moles unit conversion
-C 2. Correct UPCASE to avoid dimensioning errors
-C CHANGES FROM VERSION 1.7
-C 1. Further correction of molecules conversion for fall-off
-C and third-body reactions
-C CHANGES FOR VERSION 1.8
-C 1. Change Subroutine CKUNIT to parse LINE instead of SUB(*)
-C in order to correct misinterpretation of unit strings
-C with slashes.
-C CHANGES FOR VERSION 1.9
-C 1. First record of binary file now consists of a character
-C string version, precision, and logical error flag
-C CHANGES FOR VERSION 2.0
-C 1. Error in UPCASE could cause interpreter to ignore some
-C keywords.
-C CHANGES FOR VERSION 2.1
-C 1. 10/18/90 (F. Rupley):
-C Error in scaling the pre-exponential constants RPAR(3,*)
-C where REV is declared, and FPAL(3,*) for fall-off reactions,
-C as RPAR(3,II)*EFAC should read RPAR(3,NREV), and
-C FPAL(3,II)*EFAC should read FPAL(3,NFAL).
-C This error was introduced in CKINTERP.15 during refinement
-C Dof units conversion routines.
-C 2. Subroutine CKDUP modified to recognize that two reactions
-C may be duplicate except for a third-body species in a
-C fall-off reaction.
-C CHANGES FOR VERSION 2.2
-C 1. 11/14/90 (F. Rupley per M. Coltrin):
-C Initialize variable NCHRG
-C CHANGES FOR VERSION 2.3
-C 1. In CKPREAC, error correction of 10/18/90 (above, V2.1).
-C CHANGES FOR VERSION 2.4
-C 1. Additional checking of TLO,TMID,THI for species -
-C a) set initial values at -1.
-C b) if user has not provided a TLO,TMID, or THI, use the
-C values provided by THERMO.DAT.
-C c) check that TLO < THI, TLO <= TMID <= THI
-C CHANGES FOR VERSION 2.5
-C 1. Need to get TLO,THI,TMID from database BEFORE reading
-C user's THERMO data (unless THERMO ALL option is used)
-C CHANGES FOR VERSION 2.6
-C 1. LENRCK lengthened by II+NREV to reflect additional
-C work space needed by CKRAT for a 4th parameter
-C (perturbation factor).
-C CHANGES FOR VERSION 2.7
-C 1. Two otherwise duplicate reactions are unique if one
-C is a third body reaction and the other not.
-C CHANGES FOR VERSION 2.8
-C 1. Change output format to print all 16 characters for
-C a species name.
-C CHANGES FOR VERSION 2.9 (2/24/92 F. Rupley)
-C 1. Check that reverse (REV) parameters were given when
-C RTL reverse Teller-Landauer parameters are given.
-C 2. Add 2*II to length of real work space
-C CHANGES FOR VERSION 3.0 (4/13/92 F. Rupley per M. Coltrin)
-C 1. Correct logic in CKDUP, add argument to call list.
-C CHANGES FOR VERSION 3.1 (2/24/93 F. Rupley per C. Westbrook,LLNL)
-C 1. Problem in CKREAC for species starting with "M", where
-C "+M" is signal for third-body.
-C CHANGES FOR VERSION 3.2 (11/11/93 F. Rupley per T.U.Delft)
-C 1. Ensure that SUBROUTINE CKUNIT does not check for units beyond
-C end of LINE.
-C CHANGES FOR VERSION 3.3 (1/26/94 F. Rupley per R. Kee)
-C 1. Real stoichometric coefficients used in a supplemental way;
-C NRNU total number of reactions using real stoichometry,
-C IRNU array of reaction numbers, RNU real coefficients.
-C CHANGES FOR VERSION 3.4 (3/15/94 F. Rupley)
-C 1. DOS/PC compatibility effort includes adding file names to
-C OPEN statements, removing unused variables in CALL lists,
-C unusued but possibly initialized variables.
-C CHANGES FOR VERSION 3.5 (4/19/94 F. Rupley)
-C 1. Fix bug with index KSPEC(N) for CKBAL and CKRBAL.
-C
-C CKINTP interprets a formatted ASCII representation of a
-C chemical reaction mechanism and creates the binary file LINK
-C required by CHEMKIN. CKINTP is dimensioned as follows:
-C
-C MDIM = maximum number of elements in a problem; (10)
-C KDIM = maximum number of species in a problem; (100)
-C MAXTP= maximum number of temperatures used to fit (3)
-C thermodynamic properties of species
-C NPC = number of polynomial coefficients to fits (5)
-C NPCP2= number of fit coefficients for a temperature range (7)
-C IDIM = maximum number of reactions in a mechanism; (500)
-C NPAR = number of Arrhenius parameters in a reaction; (3)
-C NLAR = number of Landau-Teller parameters in a reaction; (2)
-C NFAR = number of fall-off parameters in a reaction; (8)
-C MAXSP= maximum number of species in a reaction (6)
-C MAXTB= maximum number of third bodies for a reaction (10)
-C LSYM = character string length of element and species names (16)
-C
-C User input is read from LIN (Unit15), a thermodynamic database
-C is read from LTHRM (Unit17), printed output is assigned to LOUT
-C (Unit16), and binary data is written to LINC (Unit25).
-C
-C REQUIRED ELEMENT INPUT: (Subroutine CKCHAR) (DIMENSION)
-C
-C The word 'ELEMENTS' followed by a list of element
-C names, terminated by the word 'END';
-C
-C The resulting element data stored in LINK is:
-C MM - integer number of elements found
-C ENAME(*) - CHARACTER*(*) array of element names (MDIM)
-C AWT(*) - real array of atomic weights; (MDIM)
-C default atomic weights are those on
-C atomic weight charts; if an element
-C is not on the periodic chart, or if
-C it is desirable to alter its atomic
-C weight, this value must be included
-C after the element name, enclosed by
-C slashed, i.e., D/2.014/
-C
-C REQUIRED SPECIES INPUT: (Subroutine CKCHAR)
-C
-C The word 'SPECIES' followed by a list of species
-C names, terminated by the word 'END';
-C
-C The resulting species data stored in LINK is:
-C KK - integer number of species found
-C KNAME(*) - CHARACTER*(*) array of species names (KDIM)
-C
-C OPTIONAL THERMODYNAMIC DATA: (Subroutine CKTHRM)
-C (If this feature is not used, thermodynamic properties are
-C obtained from a CHEMKIN database.) The format for this option
-C is the word 'THERMO' followed by any number of 4-line data sets:
-C
-C Line 1: species name, optional comments, elemental composition,
-C phase, T(low), T(high), T(mid), additional elemental
-C composition, card number (col. 80);
-C format(A10,A14,4(A2,I3),A1,E10.0,E10.0,E8.0,(A2,I3),I1)
-C Line 2: coefficients a(1--5) for upper temperature range,
-C card number (col. 80);
-C format(5(e15.0),I1)
-C Line 3: coefficients a(6--7) for upper temperature range,
-C coefficients a(1--3) for lower temperature range,
-C card number (col. 80);
-C format(5(e15.0),I1)
-C Line 4: coefficients a(4--7) for lower temperature range,
-C card number (col. 80);
-C format(4(e15.0),I1)
-C
-C End of THERMO data is indicated by 'END' line or new keyword.
-C
-C The resulting thermodynamic data stored in LINK are:
-C WTM(*) - real array of molecular weights (KDIM)
-C KNCF(*,*)- integer composition of species (MDIM,KDIM)
-C KPHSE(*) - integer phase of a species; (KDIM)
-C -1(solid), 0(gas), +1(liquid).
-C KCHRG(*) - ionic charge of a species; (KDIM)
-C = 0 except in presence/absence of electrons
-C = +n in absence of n electrons
-C = -n in presence of n electons
-C NCHRG - integer number of species with KCHRG<>0
-C NT(*) - array of number of temperatures used (KDIM)
-C in fits
-C T(*,*) - array of temperatures used in fits (MAXTP,KDIM)
-C A(N,L,K) - Thermodynamic properties for (NPC+2,NTR,KDIM)
-C species K consists of polynomial
-C coefficients for fits to
-C CP/R = SUM (A(N,L,K)*Temperature**(N-1), N=1,NPC+2)
-C where T(L,K) <= Temperature < T(L+1,K),
-C and,
-C N=NPC+1 is formation enthalpy HO/R = A(NPC+1,L,K),
-C N=NPC+2 is formation entropy SO/R = A(NPC+2,L,K)
-C
-C OPTIONAL REACTION INPUT:
-C Reaction data is input after all ELEMENT, SPECIES and THERMO
-C data in the following format:
-C
-C 1) (Subroutine CKREAC)
-C The first line contains the keyword 'REACTIONS' and an
-C optional description of units:
-C
-C 'MOLES' - (default), pre-exponential units are moles-sec-K;
-C 'MOLECULES' - pre-exponential units are molecules and
-C will be converted to moles.
-C 'KELVINS' - activation energies are Kelvins, else the
-C activation energies are converted to Kelvins;
-C 'CAL/MOLE' - (default), activation energies are cal/mole;
-C 'KCAL/MOLE' - activation energies are Kcal/mole;
-C 'JOULES/MOLE' - activation energies are joules/mole;
-C 'KJOULES/MOLE' - activation energies are Kjoules/mole.
-C
-C A description of each reaction is expected to follow.
-C Required format for a reaction is a list of '+'-delimited
-C reactants, followed by a list of '+'-delimited reactants,
-C each preceded by its stoichiometric coefficient if greater
-C than 1; separating the reactants from the products is a '='
-C if reversible reaction, else a '=>'. Following the reaction
-C string on the same line are the space-delimited Arrhenius
-C coefficients.
-C
-C If the reaction contains a third body, this is indicated by
-C by the presence of an 'M' as a reactant or product or both,
-C and enhancement factors for third-bodies may be defined on
-C additional lines as described in (2).
-C
-C If the reaction contains a radiation wavelength, this is
-C indicated by the presence of an 'HV' either as a reactant
-C or as a product. Unless otherwise defined on additional
-C lines as described in (2), the value of the wavelength is
-C -1.0 if a reactant or +1.0 if a product.
-C
-C If the reaction is a fall-off reaction, this is indicated
-C either by a '(+M)' or a '(+KNAME(K))', and there must be
-C additional lines as described in (2) to define fall-off
-C parameters.
-C
-C 2) (Subroutine CKAUXL)
-C Additional information for a reaction is given on lines
-C immediately following the reaction description; this data
-C will consist of a 'keyword' to denote the type of data,
-C followed by a '/', then the required parameters for the
-C keyword, followed by another '/'. There may be more than
-C one keyword per line, and there may be any number of lines.
-C The keywords and required parameters are as follows:
-C
-C KNAME(K)/efficiency value/ - species (K) is an enhanced
-C third body in the reaction
-C HV/wavelength/ - radiation wavelength parameter
-C LT/val1 val2/ - Landau-Teller coefficients
-C LOW/val1 val2 val3/ - low fall-off parameters
-C TROE/val1 val2 val3 val4/ - Troe fall-off parameters;
-C if val4 is omitted, a default
-C parameter will be used
-C SRI/val1 val2 val3 val4/ - SRI fall-off parameters;
-C if val4 is omitted, a default
-C parameter will be used
-C (it is an error to have both LT and Fall-off defined)
-C REV/par1 par2 par3/ - reverse parameters given
-C RLT/val1 val2/ - Landau-Teller coefficients for reverse
-C (it is an error if REV given and not RLT)
-C
-C The end of all reaction data is indicated by an 'END' card or
-C <eof>.
-C
-C Resulting reaction data stored in LINC are:
-C II - integer number of reactions found
-C PAR(*,*) - array of real Arrhenius coefficients (NPAR,IDIM)
-C NSPEC(*) - total number of species in a reaction (IDIM)
-C if NSPEC < 0, reaction is irreversible
-C NREAC(*) - number of reactants only (IDIM)
-C NUNK(*,*) - array of species numbers for reaction (MAXSP,IDIM)
-C NU(*,*) - array of stoichiometric coefficients (MAXSP,IDIM)
-C of species in a reaction, negative=reactant,
-C positive=product
-C
-C NWL - number of reactions with radiation wavelength
-C IWL(*) - integer reaction numbers (IDIM)
-C WL(*) - real radiation wavelengths (IDIM)
-C
-C NTHB - number of reactions with third bodies
-C ITHB - integer reaction numbers (IDIM)
-C NTBS(*) - total number of enhanced species for NTHB (IDIM)
-C NKTB(*,*) - species numbers of enhanced species (MAXTB,IDIM)
-C AIK(*,*) - enhancement factors (MAXTB,IDIM)
-C
-C NFAL - number of fall-off reactions
-C IFAL(*) - integer reaction numbers (IDIM)
-C KFAL(*) - integer species number for which
-C concentrations are a factor in fall-off
-C calculation
-C IFOP(*) - integer fall-off type number (IDIM)
-C = 0 if fall-off reaction is found
-C = 1 for Lindemann form
-C = 2 for 6-parameter Troe form
-C = 3 for 7-parameter Troe form
-C = 4 for SRI form
-C PFAL(*,*) - fall-off parameters (NFAR,IDIM)
-C
-C NLAN - number of reactions with Landau-Teller
-C ILAN - integer reaction numbers (IDIM)
-C PLAN - Landau-Teller parameters (NLAR,IDIM)
-C
-C NREV - number of reactions with reverse parameters
-C IREV(*) - integer reaction numbers (IDIM)
-C RPAR(*,*) - parameters (NPAR,IDIM)
-C
-C NRLT - number of reactions with reverse parameters
-C and Landau-Teller parameters
-C IRLT(*) - integer reaction numbers (IDIM)
-C RLAN(*,*) - reverse Teller-Laudauer parameters (NLAR,IDIM)
-C
-C----------------------------------------------------------------------C
-C*****precision > double
- IMPLICIT DOUBLE PRECISION (A-H,O-Z), INTEGER (I-N)
-C*****END precision > double
-C*****precision > single
-C IMPLICIT REAL (A-H,O-Z), INTEGER (I-N)
-C*****END precision > single
-C
- PARAMETER (MDIM=50, KDIM=500, MKDIM=MDIM*KDIM, IDIM=500, LSYM=16,
- 1 NPAR=3, NPIDIM=IDIM*NPAR, NPC=5, NPCP2=NPC+2, MAXTP=3,
- 2 NTR=MAXTP-1, NKTDIM=NTR*NPCP2*KDIM, MAXSP=6, MAXTB=10,
- 3 NLAR=2, NSIDIM=MAXSP*IDIM, NTIDIM=MAXTB*IDIM,
- 4 NLIDIM=NLAR*IDIM, NFAR=8, NFIDIM=NFAR*IDIM,
- 5 NTDIM=KDIM*MAXTP, NIDIM=11*IDIM, LIN=15, LOUT=16,
- 6 LTHRM=17, LINC=25, CKMIN=1.0E-3, MAXORD=10,
- 7 NOIDIM=MAXORD*IDIM)
-C
- CHARACTER KNAME(KDIM)*(LSYM), ENAME(MDIM)*(LSYM), SUB(80)*80,
- 1 KEY(5)*4, LINE*80, IUNITS*80, AUNITS*4, EUNITS*4,
- 2 UPCASE*4, VERS*(LSYM), PREC*(LSYM)
-C
- DIMENSION AWT(MDIM), KNCF(MDIM,KDIM), WTM(KDIM), KPHSE(KDIM),
- 1 KCHRG(KDIM), A(NPCP2,NTR,KDIM), T(MAXTP,KDIM), NT(KDIM),
- 2 NSPEC(IDIM), NREAC(IDIM), NU(MAXSP,IDIM),
- 3 NUNK(MAXSP,IDIM), PAR(NPAR,IDIM), IDUP(IDIM),IREV(IDIM),
- 4 RPAR(NPAR,IDIM), ILAN(IDIM), PLAN(NLAR,IDIM),
- 5 IRLT(IDIM), RLAN(NLAR,IDIM), IWL(IDIM), WL(IDIM),
- 6 IFAL(IDIM), IFOP(IDIM), KFAL(IDIM), PFAL(NFAR,IDIM),
- 7 ITHB(IDIM),NTBS(IDIM),AIK(MAXTB,IDIM),NKTB(MAXTB,IDIM),
- 8 IRNU(IDIM), RNU(MAXSP,IDIM), IORD(IDIM),
- 9 KORD(MAXORD,IDIM), RORD(MAXORD,IDIM)
- DIMENSION VALUE(5)
-C
- LOGICAL KERR, THERMO, ITHRM(KDIM)
-C
-C Initialize variables
-C
- DATA KEY/'ELEM','SPEC','THER','REAC','END'/, KERR/.FALSE./,
- 1 ITASK,NCHRG,MM,KK,II,NLAN,NFAL,NTHB,NREV,NRLT,NWL,
- * NRNU,NORD/13*0/,
- 2 ENAME,AWT/MDIM*' ',MDIM*0.0/, THERMO/.TRUE./,
- 3 T/NTDIM*-1.0/, KNAME,WTM,NT,KPHSE,KCHRG,ITHRM
- 4 /KDIM*' ', KDIM*0.0, KDIM*3, KDIM*0, KDIM*0, KDIM*.FALSE./,
- 5 WL,IFOP,NTBS,IDUP /IDIM*0.0, IDIM*-1, IDIM*0, IDIM*0/,
- 6 NSPEC,NREAC,IREV,ILAN,IRLT,IWL,IFAL,KFAL,ITHB,IRNU,IORD
- 7 /NIDIM*0/
-C
- DATA NUNK,NU/NSIDIM*0, NSIDIM*0/, NKTB,AIK/NTIDIM*0,NTIDIM*-1.0/
- DATA RNU/NSIDIM*0.0/, KORD/NOIDIM*0/, RORD/NOIDIM*0.0/
- DATA PAR,RPAR/NPIDIM*0.0, NPIDIM*0.0/
- DATA PLAN,RLAN/NLIDIM*0.0, NLIDIM*0.0/
- DATA PFAL/NFIDIM*0.0/, KNCF/MKDIM*0.0/, A/NKTDIM*0.0/
-C----------------------------------------------------------------------C
-C
- OPEN (LOUT, FORM='FORMATTED', STATUS='UNKNOWN', FILE='chem.out')
-C
- VERS = '3.6'
- WRITE (LOUT, 15) VERS(:3)
- 15 FORMAT (/
- 1' CHEMKIN INTERPRETER OUTPUT: CHEMKIN-II Version ',A,' Apr. 1994'
-C*****precision > double
- 2/' DOUBLE PRECISION'/)
- PREC = 'DOUBLE'
-C*****END precision > double
-C*****precision > single
-C 2/' SINGLE PRECISION'/)
-C PREC = 'SINGLE'
-C*****END precision > single
-C
-C START OF MECHANISM INTERPRETATION
-C
- OPEN (LIN, FORM='FORMATTED', STATUS='UNKNOWN', FILE='chem.inp')
-C
- 100 CONTINUE
- LINE = ' '
- READ (LIN,'(A)',END=5000) LINE
- 105 CONTINUE
- ILEN = IPPLEN(LINE)
- IF (ILEN .EQ. 0) GO TO 100
-C
- CALL CKISUB (LINE(:ILEN), SUB, NSUB)
-C
-C IS THERE A KEYWORD?
-C
- CALL CKCOMP ( UPCASE(SUB(1), 4) , KEY, 5, NKEY)
- IF (NKEY .GT. 0) ITASK = 0
-C
- IF (NKEY.EQ.1 .OR. NKEY.EQ.2) THEN
-C
-C ELEMENT OR SPECIES DATA
-C
- ITASK = NKEY
- IF (NSUB .EQ. 1) GO TO 100
-C
- DO 25 N = 2, NSUB
- SUB(N-1) = ' '
- SUB(N-1) = SUB(N)
- 25 CONTINUE
- NSUB = NSUB-1
-C
- ELSEIF (NKEY .EQ. 3) THEN
-C
-C THERMODYNAMIC DATA
-C
- IF (NSUB .GT. 1) THEN
- IF ( UPCASE(SUB(2), 3) .EQ. 'ALL') THEN
- THERMO = .FALSE.
- READ (LIN,'(A)') LINE
- CALL IPPARR (LINE, -1, 3, VALUE, NVAL, IER, LOUT)
- IF (NVAL .NE. 3 .OR. IER.NE.0) THEN
- KERR = .TRUE.
- WRITE (LOUT, 333)
- ELSE
- TLO = VALUE(1)
- TMID = VALUE(2)
- THI = VALUE(3)
- ENDIF
- ENDIF
- ELSE
-C
-C USE THERMODYNAMIC DATABASE FOR DEFAULT TLO,TMID,THI
- OPEN (LTHRM, FORM='FORMATTED', STATUS='UNKNOWN',
- 1 FILE='therm.dat')
-C
- READ (LTHRM,'(A)') LINE
- READ (LTHRM,'(A)') LINE
- CALL IPPARR (LINE, -1, 3, VALUE, NVAL, IER, LOUT)
- IF (NVAL .NE. 3 .OR. IER.NE.0) THEN
- KERR = .TRUE.
- WRITE (LOUT, 333)
- ELSE
- TLO = VALUE(1)
- TMID = VALUE(2)
- THI = VALUE(3)
- ENDIF
- CLOSE (LTHRM)
- ENDIF
-C
- CALL CKTHRM (LIN, MDIM, ENAME, MM, AWT, KNAME, KK, KNCF,
- 1 KPHSE, KCHRG, WTM, MAXTP, NT, NTR, TLO, TMID,
- 2 THI, T, NPCP2, A, ITHRM, KERR, LOUT, LINE)
-C
- IF (.NOT. THERMO)
- 1 CALL CKPRNT (MDIM, MAXTP, MM, ENAME, KK, KNAME, WTM, KPHSE,
- 2 KCHRG, NT, T, TLO, TMID, THI, KNCF, ITHRM,
- 3 LOUT, KERR)
- I1 = IFIRCH(LINE)
- IF (UPCASE(LINE(I1:), 4) .EQ. 'REAC') GO TO 105
-C
- ELSEIF (NKEY .EQ. 4) THEN
-C
- ITASK = 4
-C START OF REACTIONS; ARE UNITS SPECIFIED?
- CALL CKUNIT (LINE(:ILEN), AUNITS, EUNITS, IUNITS)
-C
- IF (THERMO) THEN
-C
-C THERMODYNAMIC DATA
- OPEN (LTHRM, FORM='FORMATTED', STATUS='UNKNOWN',
- 1 FILE='therm.dat')
- READ (LTHRM,'(A)') LINE
- READ (LTHRM,'(A)') LINE
- CALL IPPARR (LINE, -1, 3, VALUE, NVAL, IER, LOUT)
- IF (NVAL .NE. 3 .OR. IER.NE.0) THEN
- KERR = .TRUE.
- WRITE (LOUT, 333)
- ELSE
- TLO = VALUE(1)
- TMID = VALUE(2)
- THI = VALUE(3)
- ENDIF
- CALL CKTHRM (LTHRM, MDIM, ENAME, MM, AWT, KNAME, KK, KNCF,
- 1 KPHSE, KCHRG, WTM, MAXTP, NT, NTR, TLO, TMID,
- 2 THI, T, NPCP2, A, ITHRM, KERR, LOUT, LINE)
- CALL CKPRNT (MDIM, MAXTP, MM, ENAME, KK, KNAME, WTM, KPHSE,
- 1 KCHRG, NT, T, TLO, TMID, THI, KNCF, ITHRM,
- 2 LOUT, KERR)
- THERMO = .FALSE.
- CLOSE (LTHRM)
- ENDIF
-C
- WRITE (LOUT, 1800)
- GO TO 100
- ENDIF
-C
- IF (ITASK .EQ. 1) THEN
-C
-C ELEMENT DATA
-C
- IF (MM .EQ. 0) THEN
- WRITE (LOUT, 200)
- WRITE (LOUT, 300)
- WRITE (LOUT, 200)
- ENDIF
-C
- IF (NSUB .GT. 0) THEN
- M1 = MM +1
- CALL CKCHAR (SUB, NSUB, MDIM, ENAME, AWT, MM, KERR, LOUT)
- DO 110 M = M1, MM
- IF (AWT(M) .LE. 0) CALL CKAWTM (ENAME(M), AWT(M))
- WRITE (LOUT, 400) M,ENAME(M)(:4),AWT(M)
- IF (AWT(M) .LE. 0) THEN
- KERR = .TRUE.
- WRITE (LOUT, 1000) ENAME(M)
- ENDIF
- 110 CONTINUE
- ENDIF
-C
- ELSEIF (ITASK .EQ. 2) THEN
-C
-C PROCESS SPECIES DATA
-C
- IF (KK .EQ. 0) WRITE (LOUT, 200)
- IF (NSUB .GT. 0)
- 1 CALL CKCHAR (SUB, NSUB, KDIM, KNAME, WTM, KK, KERR, LOUT)
-C
- ELSEIF (ITASK .EQ. 4) THEN
-C
-C PROCESS REACTION DATA
-C
- IND = 0
- DO 120 N = 1, NSUB
- IND = MAX(IND, INDEX(SUB(N),'/'))
- IF (UPCASE(SUB(N), 3) .EQ. 'DUP') IND = MAX(IND,1)
- 120 CONTINUE
- IF (IND .GT. 0) THEN
-C
-C AUXILIARY REACTION DATA
-C
- CALL CKAUXL (SUB, NSUB, II, KK, KNAME, LOUT, MAXSP, NPAR,
- 1 NSPEC, NTHB, ITHB, NTBS, MAXTB, NKTB, AIK,
- 2 NFAL, IFAL, IDUP, NFAR, PFAL, IFOP, NLAN,
- 3 ILAN, NLAR, PLAN, NREV, IREV, RPAR, NRLT, IRLT,
- 4 RLAN, NWL, IWL, WL, KERR, NORD, IORD, MAXORD,
- 5 KORD, RORD, NUNK, NU, NRNU, IRNU, RNU)
-C
- ELSE
-C
-C THIS IS A REACTION STRING
-C
- IF (II .LT. IDIM) THEN
-C
- IF (II .GT. 0)
-C
-C CHECK PREVIOUS REACTION FOR COMPLETENESS
-C
- 1 CALL CPREAC (II, MAXSP, NSPEC, NPAR, PAR, RPAR,
- 2 AUNITS, EUNITS, NREAC, NUNK, NU, KCHRG,
- 3 MDIM, MM, KNCF, IDUP, NFAL, IFAL, KFAL,
- 4 NFAR, PFAL, IFOP, NREV, IREV, NTHB, ITHB,
- 5 NLAN, ILAN, NRLT, IRLT, KERR, LOUT, NRNU,
- 6 IRNU, RNU, CKMIN)
-C
-C NEW REACTION
-C
- II = II+1
- CALL CKREAC (LINE(:ILEN), II, KK, KNAME, LOUT, MAXSP,
- 1 NSPEC, NREAC, NUNK, NU, NPAR, PAR,
- 2 NTHB, ITHB, NFAL, IFAL, KFAL, NWL,
- 3 IWL, WL, NRNU, IRNU, RNU, KERR)
-C
- ELSE
- WRITE (LOUT, 1070)
- KERR = .TRUE.
- ENDIF
-C
- ENDIF
- ENDIF
- GO TO 100
-C
- 5000 CONTINUE
-C
-C END OF INPUT
-C
- IF (II .GT. 0) THEN
-C
-C CHECK FINAL REACTION FOR COMPLETENESS
-C
- CALL CPREAC (II, MAXSP, NSPEC, NPAR, PAR, RPAR, AUNITS,
- 1 EUNITS, NREAC, NUNK, NU, KCHRG, MDIM, MM,
- 2 KNCF, IDUP, NFAL, IFAL, KFAL, NFAR, PFAL, IFOP,
- 3 NREV, IREV, NTHB, ITHB, NLAN, ILAN, NRLT,
- 4 IRLT, KERR, LOUT, NRNU, IRNU, RNU, CKMIN)
-C
-C CHECK REACTIONS DECLARED AS DUPLICATES
-C
- DO 500 I = 1, II
- IF (IDUP(I) .LT. 0) THEN
- KERR = .TRUE.
- WRITE (LOUT, 1095) I
- ENDIF
- 500 CONTINUE
-C
- WRITE (LOUT, '(/1X,A)') ' NOTE: '//IUNITS(:ILASCH(IUNITS))
-C
- ELSEIF (THERMO) THEN
-C
-C THERE WAS NO REACTION DATA, MAKE SURE SPECIES DATA IS COMPLETE
- OPEN (LTHRM, FORM='FORMATTED', STATUS='UNKNOWN',
- 1 FILE='therm.dat')
-C
- READ (LTHRM,'(A)') LINE
- READ (LTHRM,'(A)') LINE
- CALL IPPARR (LINE, -1, 3, VALUE, NVAL, IER, LOUT)
- IF (NVAL .NE. 3 .OR. IER.NE.0) THEN
- KERR = .TRUE.
- WRITE (LOUT, 333)
- ELSE
- TLO = VALUE(1)
- TMID = VALUE(2)
- THI = VALUE(3)
- ENDIF
- CALL CKTHRM (LTHRM, MDIM, ENAME, MM, AWT, KNAME, KK, KNCF,
- 1 KPHSE, KCHRG, WTM, MAXTP, NT, NTR, TLO, TMID,
- 2 THI, T, NPCP2, A, ITHRM, KERR, LOUT, LINE)
- CALL CKPRNT (MDIM, MAXTP, MM, ENAME, KK, KNAME, WTM, KPHSE,
- 1 KCHRG, NT, T, TLO, TMID, THI, KNCF, ITHRM,
- 2 LOUT, KERR)
- CLOSE (LTHRM)
- ENDIF
-C
- IF (KERR) THEN
-C
- WRITE (LOUT, '(//A)')
- 1 ' WARNING...THERE IS AN ERROR IN THE LINKING FILE'
- DO 1150 K = 1, KK
- IF (KCHRG(K) .NE. 0) NCHRG = NCHRG+1
- 1150 CONTINUE
- STOP
- ENDIF
-C
- LENICK = 1 + (3 + MM)*KK + (2 + 2*MAXSP)*II + NLAN + NRLT
- 1 + 3*NFAL + (2 + MAXTB)*NTHB + NREV + NWL + NRNU
- 2 + NORD*(1 + MAXORD)
- LENCCK = MM + KK
- LENRCK = 3 + MM + KK*(5 + MAXTP + NTR*NPCP2) + II*7 + NREV
- 1 + NPAR*(II + NREV) + NLAR*(NLAN + NRLT)
- 2 + NFAR*NFAL + MAXTB*NTHB + NWL + NRNU*MAXSP
- 3 + NORD*MAXORD
-C
-C OPEN LINKING FILE
-C
- OPEN (LINC, FORM='UNFORMATTED', STATUS='UNKNOWN',
- 1 FILE='chem.bin')
-C
- WRITE (LINC) VERS, PREC, KERR
- WRITE (LINC) LENICK, LENRCK, LENCCK, MM, KK, II, MAXSP,
- 1 MAXTB, MAXTP, NPC, NPAR, NLAR, NFAR, NREV, NFAL,
- 2 NTHB, NLAN, NRLT, NWL, NCHRG, NRNU, NORD,
- 3 MAXORD, CKMIN
- WRITE (LINC) (ENAME(M), AWT(M), M = 1, MM)
- WRITE (LINC) (KNAME(K), (KNCF(M,K),M=1,MM), KPHSE(K),
- 1 KCHRG(K), WTM(K), NT(K), (T(L,K),L=1,MAXTP),
- 2 ((A(M,L,K), M=1,NPCP2), L=1,NTR), K = 1, KK)
-C
- IF (II .GT. 0) THEN
-C
- WRITE (LINC) (NSPEC(I), NREAC(I), (PAR(N,I), N = 1, NPAR),
- 1 (NU(M,I), NUNK(M,I), M = 1, MAXSP), I = 1, II)
-C
- IF (NREV .GT. 0) WRITE (LINC)
- 1 (IREV(N),(RPAR(L,N),L=1,NPAR),N=1,NREV)
-C
- IF (NFAL .GT. 0) WRITE (LINC)
- 1 (IFAL(N),IFOP(N),KFAL(N),(PFAL(L,N),L=1,NFAR), N = 1, NFAL)
-C
- IF (NTHB .GT. 0) WRITE (LINC)
- 1 (ITHB(N),NTBS(N),(NKTB(M,N),AIK(M,N),M=1,MAXTB),N=1,NTHB)
-C
- IF (NLAN .GT. 0) WRITE (LINC)
- 1 (ILAN(N), (PLAN(L,N), L = 1, NLAR), N = 1, NLAN)
-C
- IF (NRLT .GT. 0) WRITE (LINC)
- 1 (IRLT(N), (RLAN(L,N), L = 1, NLAR), N=1,NRLT)
-C
- IF (NWL .GT. 0) WRITE (LINC) (IWL(N), WL(N), N = 1, NWL)
-C
- IF (NRNU .GT. 0) WRITE (LINC)
-C
-C NRNU, total number of reactions with real stochio. coeff.
-C
- 1 (IRNU(N), (RNU(M,N), M = 1, MAXSP), N = 1, NRNU)
-C
-C IRNU, indices of reaction numbers
-C RNU, matrix of real stochiometric coefficients
-C
- IF (NORD .GT. 0) WRITE (LINC)
-C
-C NORD, total number of reactions which use "ORDER"
-C
- 1 (IORD(N), (KORD(L,N), RORD(L,N), L=1, MAXORD), N=1,NORD)
-C
-C IORD, array of reaction numbers
-C KORD, array of species numbers with "ORDER" specified,
-C -K for forward species, K for reverse species
-C RORD, array of order coefficients
- ELSE
- WRITE (LOUT, '(/A)')
- 1 ' WARNING...NO REACTION INPUT FOUND; ',
- 2 ' LINKING FILE HAS NO REACTION INFORMATION ON IT.'
- ENDIF
-C
- WRITE (LOUT, '(///A)')
- 1 ' NO ERRORS FOUND ON INPUT...CHEMKIN LINKING FILE WRITTEN.'
-C
- WRITE (LOUT, '(/A,3(/A,I6))')
- 1 ' WORKING SPACE REQUIREMENTS ARE',
- 2 ' INTEGER: ',LENICK,
- 3 ' REAL: ',LENRCK,
- 4 ' CHARACTER: ',LENCCK
- CLOSE (LINC)
- CLOSE (LIN)
- CLOSE (LOUT)
-C
-C----------------------------------------------------------------------C
-C
-C FORMATS
-C
- 200 FORMAT (26X,20('-'))
- 300 FORMAT (26X,'ELEMENTS',5X,'ATOMIC',/26X,'CONSIDERED',3X,'WEIGHT')
- 333 FORMAT (/6X,'Error...no TLO,TMID,THI given for THERMO ALL...'/)
- 400 FORMAT (25X,I3,'. ',A4,G15.6)
-C
- 1000 FORMAT (6X,'Error...no atomic weight for element ',A)
- 1070 FORMAT (6X,'Error...more than IDIM reactions...')
- 1095 FORMAT (6X,'Error...no duplicate declared for reaction no.',I3)
- 1800 FORMAT (///54X, '(k = A T**b exp(-E/RT))',/,
- 1 6X,'REACTIONS CONSIDERED',30X,'A',8X,'b',8X,'E',/)
-C
- STOP
- END
-C----------------------------------------------------------------------C
- SUBROUTINE CKCHAR (SUB, NSUB, NDIM, STRAY, RAY, NN, KERR, LOUT)
-C
-C Extracts names and real values from an array of CHAR*(*)
-C substrings; stores names in STRAY array, real values in RAY;
-C i.e. can be used to store element and atomic weight data,
-C species names, etc.
-C
-C Input: SUB(N),N=1,NSUB - array of CHAR*(*) substrings
-C NSUB - number of substrings
-C NDIM - size of STRAY,RAY arrays
-C NN - actual number of STRAY found
-C STRAY(N),N=1,NN - CHAR*(*) array
-C RAY(N),N=1,NN - Real array
-C LOUT - output unit for error messages
-C Output: NN - incremented if more STRAY found
-C STRAY(N),N=1,NN - incremented array of STRAY
-C RAY(N),N=1,NN - incremented array of reals
-C KERR - logical, .TRUE. = error in data
-C
-C F. Rupley, Div. 8245, 2/5/88
-C----------------------------------------------------------------------C
-C*****precision > double
- IMPLICIT DOUBLE PRECISION (A-H,O-Z), INTEGER (I-N)
-C*****END precision > double
-C*****precision > single
-C IMPLICIT REAL (A-H,O-Z), INTEGER (I-N)
-C*****END precision > single
-C
- DIMENSION RAY(*), PAR(1)
- CHARACTER SUB(*)*(*), STRAY(*)*(*), ISTR*80, UPCASE*4
- LOGICAL KERR
-C
- ILEN = LEN(STRAY(1))
-C
- DO 200 N = 1, NSUB
- IF ( UPCASE(SUB(N), 3) .EQ. 'END') RETURN
- ISTR = ' '
- I1 = INDEX(SUB(N),'/')
- IF (I1 .EQ .1) THEN
- KERR = .TRUE.
- WRITE (LOUT, 130) SUB(N)(:ILASCH(SUB(N)))
- ELSE
- IF (I1 .LE. 0) THEN
- ISTR = SUB(N)
- ELSE
- ISTR = SUB(N)(:I1-1)
- ENDIF
- CALL CKCOMP (ISTR, STRAY, NN, INUM)
-C
- IF (INUM .GT. 0) THEN
- WRITE (LOUT, 100) SUB(N)(:ILASCH(SUB(N)))
- ELSE
- IF (NN .LT. NDIM) THEN
- IF (ISTR(ILEN+1:) .NE. ' ') THEN
- WRITE (LOUT, 120) SUB(N)(:ILASCH(SUB(N)))
- KERR = .TRUE.
- ELSE
- NN = NN + 1
- STRAY(NN) = ' '
- STRAY(NN) = ISTR(:ILEN)
- IF (I1 .GT. 0) THEN
- I2 = I1 + INDEX(SUB(N)(I1+1:),'/')
- ISTR = ' '
- ISTR = SUB(N)(I1+1:I2-1)
- CALL IPPARR (ISTR, 1, 1, PAR, NVAL, IER, LOUT)
- IF (IER .EQ. 0) THEN
- RAY(NN) = PAR(1)
- ELSE
- KERR = .TRUE.
- ENDIF
- ENDIF
- ENDIF
- ELSE
- WRITE (LOUT, 110) SUB(N)(:ILASCH(SUB(N)))
- KERR = .TRUE.
- ENDIF
- ENDIF
- ENDIF
- 200 CONTINUE
-C
- 100 FORMAT (6X,'Warning...duplicate array element ignored...',A)
- 110 FORMAT (6X,'Error...character array size too small for ...',A)
- 120 FORMAT (6X,'Error...character array element name too long...',A)
- 130 FORMAT (6X,'Error...misplaced value...',A)
- END
-C----------------------------------------------------------------------C
- SUBROUTINE CKAWTM (ENAME, AWT)
-C
-C Returns atomic weight of element ENAME.
-C Input: ENAME - CHAR*(*) element name
-C Output: AWT - real atomic weight
-C
-C F. Rupley, Div. 8245, 11/11/86
-C----------------------------------------------------------------------C
-C*****precision > double
- IMPLICIT DOUBLE PRECISION (A-H,O-Z), INTEGER (I-N)
-C*****END precision > double
-C*****precision > single
-C IMPLICIT REAL (A-H,O-Z), INTEGER (I-N)
-C*****END precision > single
-C
- PARAMETER (NATOM = 102)
- DIMENSION ATOM(NATOM)
- CHARACTER ENAME*(*), IATOM(NATOM)*2, UPCASE*2
-C
- DATA (IATOM(I),ATOM(I),I=1,40) /
- *'H ', 1.00797, 'HE', 4.00260, 'LI', 6.93900, 'BE', 9.01220,
- *'B ', 10.81100, 'C ', 12.01115, 'N ', 14.00670, 'O ', 15.99940,
- *'F ', 18.99840, 'NE', 20.18300, 'NA', 22.98980, 'MG', 24.31200,
- *'AL', 26.98150, 'SI', 28.08600, 'P ', 30.97380, 'S ', 32.06400,
- *'CL', 35.45300, 'AR', 39.94800, 'K ', 39.10200, 'CA', 40.08000,
- *'SC', 44.95600, 'TI', 47.90000, 'V ', 50.94200, 'CR', 51.99600,
- *'MN', 54.93800, 'FE', 55.84700, 'CO', 58.93320, 'NI', 58.71000,
- *'CU', 63.54000, 'ZN', 65.37000, 'GA', 69.72000, 'GE', 72.59000,
- *'AS', 74.92160, 'SE', 78.96000, 'BR', 79.90090, 'KR', 83.80000,
- *'RB', 85.47000, 'SR', 87.62000, 'Y ', 88.90500, 'ZR', 91.22000/
-C
- DATA (IATOM(I),ATOM(I),I=41,80) /
- *'NB', 92.90600, 'MO', 95.94000, 'TC', 99.00000, 'RU',101.07000,
- *'RH',102.90500, 'PD',106.40000, 'AG',107.87000, 'CD',112.40000,
- *'IN',114.82000, 'SN',118.69000, 'SB',121.75000, 'TE',127.60000,
- *'I ',126.90440, 'XE',131.30000, 'CS',132.90500, 'BA',137.34000,
- *'LA',138.91000, 'CE',140.12000, 'PR',140.90700, 'ND',144.24000,
- *'PM',145.00000, 'SM',150.35000, 'EU',151.96000, 'GD',157.25000,
- *'TB',158.92400, 'DY',162.50000, 'HO',164.93000, 'ER',167.26000,
- *'TM',168.93400, 'YB',173.04000, 'LU',174.99700, 'HF',178.49000,
- *'TA',180.94800, 'W ',183.85000, 'RE',186.20000, 'OS',190.20000,
- *'IR',192.20000, 'PT',195.09000, 'AU',196.96700, 'HG',200.59000/
-C
- DATA (IATOM(I),ATOM(I),I=81,NATOM) /
- *'TL',204.37000, 'PB',207.19000, 'BI',208.98000, 'PO',210.00000,
- *'AT',210.00000, 'RN',222.00000, 'FR',223.00000, 'RA',226.00000,
- *'AC',227.00000, 'TH',232.03800, 'PA',231.00000, 'U ',238.03000,
- *'NP',237.00000, 'PU',242.00000, 'AM',243.00000, 'CM',247.00000,
- *'BK',249.00000, 'CF',251.00000, 'ES',254.00000, 'FM',253.00000,
- *'D ',002.01410, 'E',5.45E-4/
-C
- CALL CKCOMP ( UPCASE(ENAME, 2), IATOM, NATOM, L)
- IF (L .GT. 0) AWT = ATOM(L)
- RETURN
- END
-C----------------------------------------------------------------------C
- SUBROUTINE CKTHRM (LUNIT, MDIM, ENAME, MM, AWT, KNAME, KK, KNCF,
- 1 KPHSE, KCHRG, WTM, MAXTP, NT, NTR, TLO, TMID,
- 2 THI, T, NPCP2, A, ITHRM, KERR, LOUT, ISTR)
-C
-C Finds thermodynamic data and elemental composition for species
-C Input: LUNIT - unit number for input of thermo properties
-C MDIM - maximum number of elements allowed
-C ENAME(M),M=1,MM - array of CHAR*(*) element names
-C MM - total number of elements declared
-C AWT(M),M=1,MM - array of atomic weights for elements
-C KNAME(K),K=1,KK - array of CHAR*(*) species names
-C KK - total number of species declared
-C LOUT - output unit for messages
-C NT(K),K=1,KK - number of temperature values
-C NTR - number of temperature ranges
-C Output: KNCF(M,K) - elemental composition of species
-C KPHSE(K),K=1,KK - integer array, species phase
-C KCHRG(K),K=1,KK - integer array of species charge
-C =0, if no electrons,
-C =(-1)*number of electrons present
-C WTM(K),K=1,KK - array of molecular weights of species
-C A(M,L,K)- array of thermodynamic coefficients
-C T(N),N=1,NT - array of temperatures
-C KERR - logical error flag
-C----------------------------------------------------------------------C
-C*****precision > double
- IMPLICIT DOUBLE PRECISION (A-H,O-Z), INTEGER (I-N)
-C*****END precision > double
-C*****precision > single
-C IMPLICIT REAL (A-H,O-Z), INTEGER (I-N)
-C*****END precision > single
-C
- DIMENSION WTM(*), NT(*), T(MAXTP,*), KPHSE(*), KNCF(MDIM,*),
- 1 KCHRG(*), A(NPCP2,NTR,*), AWT(*), VALUE(5)
- CHARACTER ENAME(*)*(*), KNAME(*)*(*), LINE(4)*80, ELEM*16
- CHARACTER UPCASE*4, ISTR*80, SUB(80)*80
- LOGICAL KERR, ITHRM(*)
-C
- IF (MM.LE.0 .OR. KK.LE.0) WRITE (LOUT, 80)
-C
- GO TO 20
- 10 CONTINUE
- ISTR = ' '
- READ (LUNIT,'(A)',END=40) ISTR
- 20 CONTINUE
- ILEN = IPPLEN(ISTR)
- IF (ILEN .LE. 0) GO TO 10
-C
- CALL CKISUB (ISTR(:ILEN), SUB, NSUB)
- CALL CKCOMP (SUB(1), KNAME, KK, K)
- IF (K .EQ. 0) THEN
- IF (UPCASE(SUB(1), 3) .EQ. 'END' .OR.
- 1 UPCASE(SUB(1), 4) .EQ. 'REAC') RETURN
- GO TO 10
- ENDIF
-C
- IF (ITHRM(K)) GO TO 10
- ITHRM(K) = .TRUE.
- LINE(1) = ' '
- LINE(1) = ISTR
- DO 25 L = 2, 4
- LINE(L) = ' '
- READ (LUNIT,'(A)',END=40) LINE(L)
- 25 CONTINUE
-C
- ICOL = 20
- DO 60 I = 1, 5
- ICOL = ICOL + 5
- IF (I .EQ. 5) ICOL = 74
- ELEM = LINE(1)(ICOL:ICOL+1)
- IELEM = 0
-C
- IF (LINE(1)(ICOL+2:ICOL+4) .NE. ' ') THEN
- CALL IPPARR
- 1 (LINE(1)(ICOL+2:ICOL+4), 0, 1, VALUE, NVAL, IER, LOUT)
- IELEM = VALUE(1)
- ENDIF
-C
- IF (ELEM.NE.' ' .AND. IELEM.NE.0) THEN
- IF (UPCASE(ELEM, 1) .EQ. 'E')
- 1 KCHRG(K)=KCHRG(K)+IELEM*(-1)
- CALL CKCOMP (ELEM, ENAME, MM, M)
- IF (M .GT. 0) THEN
- KNCF(M,K) = IELEM
- WTM(K) = WTM(K) + AWT(M)*FLOAT(IELEM)
- ELSE
- WRITE (LOUT, 100) ELEM,KNAME(K)(:10)
- KERR = .TRUE.
- ENDIF
- ENDIF
- 60 CONTINUE
-C
- IF (UPCASE(LINE(1)(45:),1) .EQ. 'L') KPHSE(K)=1
- IF (UPCASE(LINE(1)(45:),1) .EQ. 'S') KPHSE(K)=-1
-C
-C-----Currently allows for three temperatures, two ranges;
-C in future, NT(K) may vary, NTR = NT(K)-1
-C
- T(1,K) = TLO
- IF (LINE(1)(46:55) .NE. ' ') CALL IPPARR
- 1 (LINE(1)(46:55), 0, 1, T(1,K), NVAL, IER, LOUT)
-C
- T(2,K) = TMID
- IF (LINE(1)(66:73) .NE. ' ') CALL IPPARR
- 1 (LINE(1)(66:73), 0, 1, T(2,K), NVAL, IER, LOUT)
-C
- T(NT(K),K) = THI
- IF (LINE(1)(56:65) .NE. ' ') CALL IPPARR
- 1 (LINE(1)(56:65), 0, 1, T(NT(K),K), NVAL, IER, LOUT)
-C
- READ (LINE(2)(:75),'(5E15.8)') (A(I,NTR,K),I=1,5)
- READ (LINE(3)(:75),'(5E15.8)')
- 1 (A(I,NTR,K),I=6,7),(A(I,1,K),I=1,3)
- READ (LINE(4)(:60),'(4E15.8)') (A(I,1,K),I=4,7)
- GO TO 10
-C
- 40 RETURN
- 80 FORMAT (6X,'Warning...THERMO cards misplaced will be ignored...')
- 100 FORMAT (6X,'Error...element...',A,'not declared for...',A)
- END
-C----------------------------------------------------------------------C
- SUBROUTINE CKREAC (LINE, II, KK, KNAME, LOUT, MAXSP, NSPEC, NREAC,
- 1 NUNK, NU, NPAR, PAR, NTHB, ITHB,
- 2 NFAL, IFAL, KFAL, NWL, IWL, WL,
- 3 NRNU, IRNU, RNU, KERR)
-C
-C CKREAC parses the main CHAR*(*) line representing a gas-phase
-C reaction; first, the real Arrhenius parameters are located and
-C stored in PAR(N,I),N=1,NPAR, where I is the reaction number;
-C then a search is made over the reaction string:
-C
-C '=','<=>': reaction I is reversible;
-C '=>' : reaction I is irreversible;
-C
-C '(+[n]KNAME(K))': reaction I is a fall-off reaction;
-C NFAL is incremented, the total number of
-C fall-off reactions;
-C IFAL(NFAL)=I, KFAL(NFAL)=K;
-C this species is eliminated from consideration
-C as a reactant or product in this reaction.
-C
-C '(+M)' : reaction I is a fall-off reaction;
-C NFAL is incremented, IFAL(NFAL)=I, KFAL(NFAL)=0;
-C
-C '+[n]KNAME(K)': NSPEC(I) is incremented, the total number of
-C species for this reaction;
-C n is an optional stoichiometric coefficient
-C of KNAME(K), if omitted, n=1;
-C if this string occurs before the =/-,
-C NREAC(I) is incremented, the total number of
-C reactants for this reaction, NUNK(N,I)=K, and
-C NU(N,I) = -n, where N=1-3 is reserved for
-C reactants;
-C if this string occurs after the =/-,
-C NUNK(N,I) = K, and NU(N,I) = n, where N=4-6
-C is reserved for products;
-C
-C '+M' : I is a third-body reaction; NTHB is incremented, the
-C total number of third-body reactions, and ITHB(NTHB)=I.
-C
-C Input: LINE - a CHAR*(*) line (from data file)
-C II - the index of this reaction, and the total number
-C of reactions found so far.
-C KK - actual integer number of species
-C KNAME(K),K=1,KK - array of CHAR*(*) species names
-C LOUT - output unit for error messages
-C MAXSP - maximum number of species allowed in reaction
-C NPAR - number of parameters expected
-C A '!' will comment out a line, or remainder of the line.
-C
-C Output: NSPEC - total number of reactants+products in reaction
-C NREAC - number of reactants
-C NUNK - species numbers for the NSPEC species
-C NU - stoichiometric coefficients for the NSPEC spec.
-C NFAL - total number of fall-off reactions
-C IFAL - reaction numbers for the NFAL reactions
-C KFAL - 3rd body species numbers for the NFAL reactions
-C NTHB - total number of 3rd-body reactions
-C ITHB - reaction numbers for the NTHB reactions
-C NWL - number of radiation-enhanced reactions
-C IWL - reaction numbers for the NWL reactions
-C WL - radiation wavelengths for the NWL reactions
-C KERR - logical, .TRUE. = error in data file
-C
-C F. Rupley, Div. 8245, 5/13/86
-C----------------------------------------------------------------------C
-C*****precision > double
- IMPLICIT DOUBLE PRECISION (A-H,O-Z), INTEGER (I-N)
-C*****END precision > double
-C*****precision > single
-C IMPLICIT REAL (A-H,O-Z), INTEGER (I-N)
-C*****END precision > single
-C
- DIMENSION NSPEC(*), NREAC(*), NUNK(MAXSP,*), NU(MAXSP,*),
- 1 PAR(NPAR,*), IFAL(*), KFAL(*), ITHB(*), IWL(*), WL(*),
- 2 IRNU(*), RNU(MAXSP,*), IPLUS(20)
- CHARACTER KNAME(*)*(*), LINE*(*), CNUM(11)*1, UPCASE*4
- CHARACTER*80 ISTR, IREAC, IPROD, ISPEC, INAME, ITEMP
- LOGICAL KERR, LTHB, LWL, LRSTO
- DATA CNUM/'.','0','1','2','3','4','5','6','7','8','9'/
-C
- LTHB = .FALSE.
- LWL = .FALSE.
- NSPEC(II) = 0
- NREAC(II) = 0
-C
-C----------Find NPAR real parameters------------------------
-C
- CALL IPNPAR (LINE, NPAR, ISTR, ISTART)
- CALL IPPARR (ISTR, 1, NPAR, PAR(1,II), NVAL, IER, LOUT)
- IF (IER .NE. 0) KERR = .TRUE.
-C
-C-----Remove blanks from reaction string
-C
- INAME = ' '
- ILEN = 0
- DO 10 I = 1, ISTART-1
- IF (LINE(I:I) .NE. ' ') THEN
- ILEN = ILEN+1
- INAME(ILEN:ILEN) = LINE(I:I)
- ENDIF
- 10 CONTINUE
-C
-C-----Find reaction string, product string
-C
- I1 = 0
- I2 = 0
- DO 25 I = 1, ILEN
- IF (I1 .LE. 0) THEN
- IF (INAME(I:I+2) .EQ. '<=>') THEN
- I1 = I
- I2 = I+2
- IR = 1
- ELSEIF (INAME(I:I+1) .EQ. '=>') THEN
- I1 = I
- I2 = I+1
- IR = -1
- ELSEIF (I.GT.1 .AND. INAME(I:I).EQ.'='
- 1 .AND. INAME(I-1:I-1).NE.'=') THEN
- I1 = I
- I2 = I
- IR = 1
- ENDIF
- ENDIF
- 25 CONTINUE
-C
- IF (ILASCH(INAME).GE.45 .AND. I1.GT.0) THEN
- WRITE (LOUT, 1900) II,INAME(:I1-1),(PAR(N,II),N=1,NPAR)
- WRITE (LOUT, 1920) INAME(I1:)
- ELSE
- WRITE (LOUT, 1900) II,INAME(:45),(PAR(N,II),N=1,NPAR)
- ENDIF
-C
- IREAC = ' '
- IPROD = ' '
- IF (I1 .GT. 0) THEN
- IREAC = INAME(:I1-1)
- IPROD = INAME(I2+1:)
- ELSE
-C
-C-----did not find delimiter
-C
- WRITE (LOUT, 660)
- KERR = .TRUE.
- RETURN
- ENDIF
-C
- LRSTO = ((INDEX(IREAC,'.').GT.0) .OR. (INDEX(IPROD,'.').GT.0))
- IF (LRSTO) THEN
- NRNU = NRNU + 1
- IRNU(NRNU) = II
- ENDIF
-C
- IF (INDEX(IREAC,'=>').GT.0 .OR. INDEX(IPROD,'=>').GT.0) THEN
-C
-C-----more than one '=>'
-C
- WRITE (LOUT, 800)
- KERR = .TRUE.
- RETURN
- ENDIF
-C
-C-----Is this a fall-off reaction?
-C
- IF (INDEX(IREAC,'(+').GT.0 .OR. INDEX(IPROD,'(+').GT.0) THEN
- KRTB = 0
- KPTB = 0
- DO 300 J = 1, 2
- ISTR = ' '
- KTB = 0
- IF (J .EQ. 1) THEN
- ISTR = IREAC
- ELSE
- ISTR = IPROD
- ENDIF
-C
- DO 35 N = 1, ILASCH(ISTR)-1
- IF (ISTR(N:N+1) .EQ. '(+') THEN
- I1 = N+2
- I2 = I1 + INDEX(ISTR(I1:),')')-1
- IF (I2 .GT. I1) THEN
- IF (ISTR(I1:I2-1).EQ.'M' .OR.
- 1 ISTR(I1:I2-1).EQ.'m') THEN
- IF (KTB .NE. 0) THEN
- WRITE (LOUT, 630)
- KERR = .TRUE.
- RETURN
- ELSE
- KTB = -1
- ENDIF
- ELSE
- CALL CKCOMP (ISTR(I1:I2-1), KNAME, KK, KNUM)
- IF (KNUM .GT. 0) THEN
- IF (KTB .NE. 0) THEN
- WRITE (LOUT, 630)
- KERR = .TRUE.
- RETURN
- ELSE
- KTB = KNUM
- ENDIF
- ENDIF
- ENDIF
- IF (KTB .NE. 0) THEN
- ITEMP = ' '
- IF (I1 .EQ. 1) THEN
- ITEMP = ISTR(I2+1:)
- ELSE
- ITEMP = ISTR(:I1-3)//ISTR(I2+1:)
- ENDIF
- IF (J .EQ. 1) THEN
- IREAC = ' '
- IREAC = ITEMP
- KRTB = KTB
- ELSE
- IPROD = ' '
- IPROD = ITEMP
- KPTB = KTB
- ENDIF
- ENDIF
- ENDIF
- ENDIF
- 35 CONTINUE
- 300 CONTINUE
-C
- IF (KRTB.NE.0 .OR. KPTB.NE.0) THEN
-C
-C does product third-body match reactant third-body
-C
- IF (KRTB.LE.0 .AND. KPTB.LE.0) THEN
-C
- NFAL = NFAL + 1
- IFAL(NFAL) = II
- KFAL(NFAL) = 0
-C
- LTHB = .TRUE.
- NTHB = NTHB + 1
- ITHB(NTHB) = II
-C
- ELSEIF (KRTB .EQ. KPTB) THEN
- NFAL = NFAL + 1
- IFAL(NFAL) = II
- KFAL(NFAL) = KRTB
-C
- ELSE
-C
- WRITE (LOUT, 640)
- KERR = .TRUE.
- RETURN
- ENDIF
- ENDIF
- ENDIF
-C
-C----------Find reactants, products-------------------------
-C
- DO 600 J = 1, 2
- ISTR = ' '
- LTHB = .FALSE.
- IF (J .EQ. 1) THEN
- ISTR = IREAC
- NS = 0
- ELSE
- ISTR = IPROD
- NS = 3
- ENDIF
-C
-C-----------store pointers to '+'-signs
-C
- NPLUS = 1
- IPLUS(NPLUS) = 0
- DO 500 L = 2, ILASCH(ISTR)-1
- IF (ISTR(L:L).EQ.'+') THEN
- NPLUS = NPLUS + 1
- IPLUS(NPLUS) = L
- ENDIF
- 500 CONTINUE
- NPLUS = NPLUS + 1
- IPLUS(NPLUS) = ILASCH(ISTR)+1
-C
- NSTART = 1
- 505 CONTINUE
- N1 = NSTART
- DO 510 N = NPLUS, N1, -1
- ISPEC = ' '
- ISPEC = ISTR(IPLUS(N1)+1 : IPLUS(N)-1)
-C
- IF (UPCASE(ISPEC, 1).EQ.'M' .AND.
- 1 (ISPEC(2:2).EQ.' ' .OR. ISPEC(2:2).EQ.'+')) THEN
- IF (LTHB) THEN
- WRITE (LOUT, 900)
- KERR = .TRUE.
- RETURN
- ELSEIF (NFAL.GT.0 .AND. IFAL(NFAL).EQ.II) THEN
- WRITE (LOUT, 640)
- KERR = .TRUE.
- RETURN
- ELSE
- LTHB = .TRUE.
- IF (NTHB.EQ.0 .OR.
- 1 (NTHB.GT.0.AND.ITHB(NTHB).NE.II)) THEN
- NTHB = NTHB + 1
- ITHB(NTHB) = II
- ENDIF
- IF (N .EQ. NPLUS) GO TO 600
- NSTART = N
- GO TO 505
- ENDIF
-C
- ELSEIF (UPCASE(ISPEC, 2) .EQ. 'HV') THEN
- IF (LWL) THEN
- WRITE (LOUT, 670)
- KERR = .TRUE.
- RETURN
- ELSE
- LWL = .TRUE.
- NWL = NWL + 1
- IWL(NWL) = II
- WL(NWL) = 1.0
- IF (J .EQ. 1) WL(NWL) = -1.0
- IF (N .EQ. NPLUS) GO TO 600
- NSTART = N
- GO TO 505
- ENDIF
- ENDIF
-C
-C-----------does this string start with a number?
-C
- IND = 0
- DO 334 L = 1, LEN(ISPEC)
- NTEST = 0
- DO 333 M = 1, 11
- IF (ISPEC(L:L) .EQ. CNUM(M)) THEN
- NTEST=M
- IND = L
- ENDIF
- 333 CONTINUE
- IF (NTEST .EQ. 0) GO TO 335
- 334 CONTINUE
- 335 CONTINUE
-C
- RVAL = 1.0
- IVAL = 1
- IF (IND .GT. 0) THEN
- IF (LRSTO) THEN
- CALL IPPARR (ISPEC(:IND), 1, 1, RVAL, NVAL,
- 1 IER, LOUT)
- ELSE
- CALL IPPARI (ISPEC(:IND), 1, 1, IVAL, NVAL,
- 1 IER, LOUT)
- ENDIF
- IF (IER .EQ. 0) THEN
- ITEMP = ' '
- ITEMP = ISPEC(IND+1:)
- ISPEC = ' '
- ISPEC = ITEMP
- ELSE
- KERR = .TRUE.
- RETURN
- ENDIF
- ENDIF
-C
- CALL CKCOMP (ISPEC, KNAME, KK, KNUM)
- IF (KNUM .EQ. 0) THEN
- IF ((N-N1) .GT. 1) GO TO 510
- WRITE (LOUT, 680) ISPEC(:ILASCH(ISPEC))
- KERR = .TRUE.
- ELSE
-C
-C--------------a species has been found
-C
- IF (J .EQ. 1) THEN
- IVAL = -IVAL
- RVAL = -RVAL
- ENDIF
-C
-C--------------increment species coefficient count
-C
- NNUM = 0
- IF (LRSTO) THEN
- DO 110 K = 1, NS
- IF (KNUM.EQ.NUNK(K,II) .AND.
- 1 RNU(K,NRNU)/RVAL.GT.0) THEN
- NNUM = K
- RNU(NNUM,NRNU) = RNU(NNUM,NRNU) + RVAL
- ENDIF
- 110 CONTINUE
- ELSE
- DO 111 K = 1, NS
- IF (KNUM.EQ.NUNK(K,II) .AND.
- 1 NU(K,II)/IVAL.GT.0) THEN
- NNUM=K
- NU(NNUM,II) = NU(NNUM,II) + IVAL
- ENDIF
- 111 CONTINUE
- ENDIF
-C
- IF (NNUM .LE. 0) THEN
-C
-C-----------------are there too many species?
-C
- IF (J.EQ.1 .AND. NS.EQ.3) THEN
- WRITE (LOUT, 690)
- KERR = .TRUE.
- RETURN
- ELSEIF (J.EQ.2 .AND. NS.EQ.MAXSP) THEN
- WRITE (LOUT, 700)
- KERR = .TRUE.
- RETURN
- ELSE
-C
-C--------------------increment species count
-C
- NS = NS + 1
- NSPEC(II) = NSPEC(II)+1
- IF (J .EQ. 1) NREAC(II) = NS
- NUNK(NS,II) = KNUM
- IF (LRSTO) THEN
- RNU(NS,NRNU) = RVAL
- ELSE
- NU(NS,II) = IVAL
- ENDIF
- ENDIF
- ENDIF
- ENDIF
- IF (N .EQ. NPLUS) GO TO 600
- NSTART = N
- GO TO 505
-C
- 510 CONTINUE
- 600 CONTINUE
-C
- NSPEC(II) = IR*NSPEC(II)
-C
- 630 FORMAT (6X,'Error...more than one fall-off declaration...')
- 640 FORMAT (6X,'Error in fall-off declaration...')
- 650 FORMAT (6X,'Error...reaction string not found...')
- 660 FORMAT (6X,'Error in reaction...')
- 670 FORMAT (6X,'Error in HV declaration...')
- 680 FORMAT (6X,'Error...undeclared species...',A)
- 690 FORMAT (6X,'Error...more than 3 reactants...')
- 700 FORMAT (6X,'Error...more than 3 products...')
- 800 FORMAT (6X,'Error in reaction delimiter...')
- 900 FORMAT (6X,'Error in third-body declaration...')
-C 1900 FORMAT (I4,'. ',A,T51,E10.3,F7.3,F11.3)
- 1900 FORMAT (I4,'. ', A, T53, 1PE8.2, 2X, 0PF5.1, 2X, F9.1)
- 1920 FORMAT (6X,A)
- RETURN
- END
-C----------------------------------------------------------------------C
- SUBROUTINE CKAUXL (SUB, NSUB, II, KK, KNAME, LOUT, MAXSP, NPAR,
- 1 NSPEC, NTHB, ITHB, NTBS, MAXTB, NKTB, AIK,
- 2 NFAL, IFAL, IDUP, NFAR, PFAL, IFOP, NLAN,
- 3 ILAN, NLAR, PLAN, NREV, IREV, RPAR, NRLT, IRLT,
- 4 RLAN, NWL, IWL, WL, KERR, NORD, IORD, MAXORD,
- 5 KORD, RORD, NUNK, NU, NRNU, IRNU, RNU)
-C
-C CKAUXL parses the auxiliary CHAR*(*) lines representing
-C additional options for a gas-phase reaction; data is stored
-C based on finding a 'keyword' followed by its required
-C parameters:
-C
-C KNAME(K)/val1/: this is an enhanced third-body;
-C
-C if ITHB(NTHB) <> I, this is an error, reaction I is not a
-C third-body reaction;
-C else NTBS(NTHB) is incremented,
-C AIK(NTBS(NTHB),NTHB) = K,
-C NKTB(NTBS(NTHB)),NTHB) = val1;
-C
-C (LOW,TROE, and SRI define fall-off data):
-C
-C LOW/val1 val2 val3/: PFAL(N,NFAL) = val(N),N=1,3;
-C
-C if IFAL(NFAL)<>I, this is an error, reaction I is not a
-C fall-off reaction;
-C if ILAN(NLAN)=I, this is an error, cannot have T-L numbers.
-C if IRLT(NRLT)=I, this is an error, "
-C if IREV(NREV)=I, this is an error, cannot declare reverse
-C parameters;
-C if IFOP(NFAL)>0, this is an error, LOW already declared;
-C else
-C IFOP(NFAL) = ABS(IFOP(NFAL))
-C
-C TROE/val1 val2 val3 [val4]/: PFAL(N,NFAL) = val(N),N=4,7;
-C
-C if IFAL(NFAL)<>I, this is an error, reaction I is not a
-C fall-off reaction;
-C if ILAN(NLAN)=I, this is an error, cannot have T-L numbers.
-C if IRLT(NRLT)=I, this is an error, "
-C if IREV(NREV)=I, this is an error, cannot declare reverse
-C parameters;
-C if ABS(IFOP(NFAL)).GT.1, this is an error,
-C else
-C if 3 TROE values, IFOP(NFAL) = 3*IFOP(NFAL);
-C if 4 TROE values, IFOP(NFAL) = 4*IFOP(NFAL);
-C
-C SRI/val1 val2 val3/: PFAL(N,NFAL) = val(N),N=4,6;
-C
-C if IFAL(NFAL)<>I, this is an error, reaction I is not a
-C fall-off reaction;
-C if ILAN(NLAN)=I, this is an error, cannot have T-L numbers.
-C if IRLT(NRLT)=I, this is an error, "
-C if IREV(NREV)=I, this is an error, cannot declare reverse
-C parameters;
-C if ABS(IFOP(NFAL))>1, this is an error;
-C else
-C if IFOP(NFAL)= 2*IFOP(NFAL);
-C
-C LT/val1 val2/:
-C if IFAL(NFAL)=I, this is an error, cannot have fall-off and
-C T-L numbers;
-C else increment NLAN, the number of T-L reactions,
-C ILAN(NLAN)=I, PLAN(N,NLAN)=val(N),N=1,2
-C if IREV(NREV)=I, need IRLT(NRLT)=I.
-C
-C REV[ERSE]/val1 val2 val3/ :
-C if IFAL(NFAL)=I, this is an error;
-C if IREV(NREV)=I, this is an error, REV already declared;
-C if NSPEC(I)<0, this an error, as I is irreversible;
-C else increment NREV, the number of reactions with reverse
-C parameters given,
-C IREV(NREV)=I, RPAR(N,NREV)=val(N),N=1,3;
-C if ILAN(NLAN)=I, need IRLT(NRLT)=I;
-C if IRLT(NRLT)=I, need ILAN(NRLT)=I.
-C
-C RLT/val1 val2/:
-C if IFAL(NFAL)=I, this is an error, cannot have fall-off and
-C T-L numbers;
-C if IRLT(NRLT)=I, this is an error, RLT already declared;
-C else increment NRLT, the number of reactions with BOTH
-C reverse parameters given, and T-L numbers;
-C IRLT(NRLT)=I, RLAN(N,NRLT)=val(N),N=1,2;
-C if IREV(NREV)<>I, need IREV(NREV)=I;
-C if ILAN(NREV)<>I, need ILAN(NLAN)=I;
-C
-C DUP[LICATE]:
-C This reaction is allowed to be duplicated.
-C
-C Input: LINE - CHAR*(*) auxiliary information string
-C KK - total number of species declared
-C KNAME- CHAR*(*) species names
-C LOUT - output unit for error messages
-C MAXSP- maximum third bodies allowed in a reaction
-C Output: NTHB - total number of reactions with third bodies
-C ITHB - array of third-body reaction numbers
-C AIK - non-zero third body enhancement factors
-C NKTB - array of species numbers for the third body
-C enchancement factors
-C NFAL - total number of fall-off reactions
-C IFAL - array of fall-off reaction numbers
-C IFOP - array of fall-off type
-C PFAL - fall-off parameters
-C NLAN - total number of Landau-Teller reactions
-C ILAN - array of T-L reaction numbers
-C NLAR - number of Landau-Teller numbers allowed
-C PLAN - array of Landau-Teller numbers
-C NRLT - total number of 'reverse' T-L reactions
-C IRLT - array of 'reverse' T-L reaction numbers
-C RLAN - array of 'reverse' Landau-Teller numbers
-C NWL - total number of radiation-enhanced reactions
-C IWL - array of radiation-enhanced reaction numbers
-C WL - array of wavelengths
-C KERR - logical, = .TRUE. if error found
-C F. Rupley, Div. 8245, 5/27/87
-C----------------------------------------------------------------------C
-C*****precision > double
- IMPLICIT DOUBLE PRECISION (A-H,O-Z), INTEGER (I-N)
-C*****END precision > double
-C*****precision > single
-C IMPLICIT REAL (A-H,O-Z), INTEGER (I-N)
-C*****END precision > single
-C
- DIMENSION NSPEC(*), ITHB(*), NTBS(*), NKTB(MAXTB,*), IDUP(*),
- 1 AIK(MAXTB,*), IFAL(*), IFOP(*), PFAL(NFAR,*),
- 2 ILAN(*), PLAN(NLAR,*), IREV(*), RPAR(NPAR,*), IRLT(*),
- 3 RLAN(NLAR,*), IWL(*), WL(*), VAL(1), IORD(*),
- 4 KORD(MAXORD,*), RORD(MAXORD,*), NUNK(MAXSP,*),
- 5 NU(MAXSP,*), IRNU(*), RNU(MAXSP,*)
- CHARACTER SUB(*)*(*), KNAME(*)*(*), KEY*80, RSTR*80, UPCASE*4,
- 1 ISTR*80
- LOGICAL KERR, LLAN, LRLT, LTHB, LFAL, LTRO, LSRI, LWL, LREV,
- 1 LFORD, LRORD
-C
- LTHB = (NTHB.GT.0 .AND. ITHB(NTHB).EQ.II)
- LFAL = (NFAL.GT.0 .AND. IFAL(NFAL).EQ.II)
- LWL = (NWL .GT.0 .AND. IWL(NWL) .EQ.II)
- LREV = (NREV.GT.0 .AND. IREV(NREV).EQ.II)
- LLAN = (NLAN.GT.0 .AND. ILAN(NLAN).EQ.II)
- LRLT = (NRLT.GT.0 .AND. IRLT(NRLT).EQ.II)
- LTRO = (NFAL.GT.0 .AND. IFAL(NFAL).EQ.II .AND. IFOP(NFAL).GT.2)
- LSRI = (NFAL.GT.0 .AND. IFAL(NFAL).EQ.II .AND. IFOP(NFAL).EQ.2)
-C
- DO 500 N = 1, NSUB
- ILEN = ILASCH(SUB(N))
- KEY = ' '
-C
- IF ( UPCASE(SUB(N), 3) .EQ. 'DUP') THEN
- IDUP(II) = -1
- WRITE (LOUT, 4000)
- GO TO 500
- ELSE
- I1 = INDEX(SUB(N),'/')
- I2 = INDEX(SUB(N)(I1+1:),'/')
- IF (I1.LE.0 .OR. I2.LE.0) THEN
- KERR = .TRUE.
- WRITE (LOUT, 2090) SUB(N)(:ILEN)
- GO TO 500
- ENDIF
- KEY = SUB(N)(:I1-1)
- RSTR = ' '
- RSTR = SUB(N)(I1+1:I1+I2-1)
- ENDIF
-C
- IF (UPCASE(KEY, 3).EQ.'LOW' .OR.
- 1 UPCASE(KEY, 4).EQ.'TROE'.OR.
- 2 UPCASE(KEY, 3).EQ.'SRI') THEN
-C
-C FALL-OFF DATA
-C
- IF ((.NOT.LFAL) .OR. LLAN .OR. LRLT .OR. LREV) THEN
- KERR = .TRUE.
- IF (.NOT. LFAL) WRITE (LOUT, 1050) SUB(N)(:ILEN)
- IF (LLAN) WRITE (LOUT, 1060) SUB(N)(:ILEN)
- IF (LRLT) WRITE (LOUT, 1070) SUB(N)(:ILEN)
- IF (LREV) WRITE (LOUT, 1090) SUB(N)(:ILEN)
- ELSE
-C
- IF (UPCASE(KEY, 3) .EQ. 'LOW') THEN
- IF (IFOP(NFAL) .GT. 0) THEN
- WRITE (LOUT, 2000) SUB(N)(:ILEN)
- KERR = .TRUE.
- ELSE
- IFOP(NFAL) = ABS(IFOP(NFAL))
- CALL IPPARR (RSTR,1,3,PFAL(1,NFAL),NVAL,IER,LOUT)
- IF (IER .NE. 0) KERR = .TRUE.
- WRITE (LOUT, 3050) (PFAL(L,NFAL),L=1,3)
- ENDIF
-C
- ELSEIF (UPCASE(KEY, 4) .EQ. 'TROE') THEN
- IF (LTRO .OR. LSRI) THEN
- KERR = .TRUE.
- IF (LTRO) WRITE (LOUT, 2010) SUB(N)(:ILEN)
- IF (LSRI) WRITE (LOUT, 2030) SUB(N)(:ILEN)
- ELSE
- LTRO = .TRUE.
- CALL IPPARR (RSTR,1,-4,PFAL(4,NFAL),NVAL,IER,LOUT)
- IF (NVAL .EQ. 3) THEN
- IFOP(NFAL) = 3*IFOP(NFAL)
- WRITE (LOUT, 3080) (PFAL(L,NFAL),L=4,6)
- ELSEIF (NVAL .EQ. 4) THEN
- IFOP(NFAL) = 4*IFOP(NFAL)
- WRITE (LOUT, 3090) (PFAL(L,NFAL),L=4,7)
- ELSE
- WRITE (LOUT, 2020) SUB(N)(:ILEN)
- KERR = .TRUE.
- ENDIF
- ENDIF
-C
- ELSEIF (UPCASE(KEY, 3) .EQ. 'SRI') THEN
- IF (LTRO .OR. LSRI) THEN
- KERR = .TRUE.
- IF (LTRO) WRITE (LOUT, 2030) SUB(N)(:ILEN)
- IF (LSRI) WRITE (LOUT, 2040) SUB(N)(:ILEN)
- ELSE
- LSRI = .TRUE.
- IFOP(NFAL) = 2*IFOP(NFAL)
- CALL IPPARR (RSTR,1,-5,PFAL(4,NFAL),NVAL,IER,LOUT)
- IF (NVAL .EQ. 3) THEN
- PFAL(7,NFAL) = 1.0
- PFAL(8,NFAL) = 0.0
- WRITE (LOUT, 3060) (PFAL(L,NFAL),L=4,6)
- ELSEIF (NVAL .EQ. 5) THEN
- WRITE (LOUT, 3070) (PFAL(L,NFAL),L=4,8)
- ELSE
- WRITE (LOUT, 2020) SUB(N)(:ILEN)
- KERR = .TRUE.
- ENDIF
- ENDIF
- ENDIF
- ENDIF
-C
- ELSEIF (UPCASE(KEY, 3) .EQ. 'REV') THEN
-C
-C REVERSE ARRHENIUS PARAMETERS
-C
- IF (LFAL .OR. LREV .OR. NSPEC(II).LT.0) THEN
- KERR = .TRUE.
- IF (LFAL) WRITE (LOUT, 1090) SUB(N)(:ILEN)
- IF (LREV) WRITE (LOUT, 2050) SUB(N)(:ILEN)
- IF (NSPEC(II) .LT. 0) WRITE (LOUT, 2060) SUB(N)(:ILEN)
- ELSE
- LREV = .TRUE.
- NREV = NREV+1
- IREV(NREV) = II
- CALL IPPARR (RSTR,1,NPAR,RPAR(1,NREV),NVAL,IER,LOUT)
- IF (IER .NE. 0) KERR = .TRUE.
- WRITE (LOUT, 1900) ' Reverse Arrhenius coefficients:',
- 1 (RPAR(L,NREV),L=1,3)
- ENDIF
-C
- ELSEIF (UPCASE(KEY, 3) .EQ. 'RLT') THEN
-C
-C REVERSE LANDAU-TELLER PARAMETERS
-C
- IF (LFAL .OR. LRLT .OR. NSPEC(II).LT.0) THEN
- KERR = .TRUE.
- IF (LFAL) WRITE (LOUT, 1070) SUB(N)(:ILEN)
- IF (LRLT) WRITE (LOUT, 2080) SUB(N)(:ILEN)
- IF (NSPEC(II) .LT. 0) WRITE (LOUT, 1080) SUB(N)(:ILEN)
- ELSE
- LRLT = .TRUE.
- NRLT = NRLT + 1
- IRLT(NRLT) = II
- CALL IPPARR (RSTR,1,NLAR,RLAN(1,NRLT),NVAL,IER,LOUT)
- IF (IER .NE. 0) KERR = .TRUE.
- WRITE (LOUT, 3040) (RLAN(L,NRLT),L=1,2)
- ENDIF
-C
- ELSEIF (UPCASE(KEY, 2) .EQ. 'HV') THEN
-C
-C RADIATION WAVELENGTH ENHANCEMENT FACTOR
-C
- IF (.NOT.LWL) THEN
- WRITE (LOUT, 1000) SUB(N)(:ILEN)
- KERR = .TRUE.
- ELSE
- CALL IPPARR (RSTR,1,1,VAL,NVAL,IER,LOUT)
- IF (IER .EQ. 0) THEN
- WL(NWL) = WL(NWL)*VAL(1)
- WRITE (LOUT, 3020) ABS(WL(NWL))
- ELSE
- WRITE (LOUT, 1000) SUB(N)(:ILEN)
- KERR = .TRUE.
- ENDIF
- ENDIF
-C
- ELSEIF (UPCASE(KEY, 2) .EQ. 'LT') THEN
-C
-C LANDAU-TELLER PARAMETERS
-C
- IF (LFAL .OR. LLAN) THEN
- KERR = .TRUE.
- IF (LFAL) WRITE (LOUT, 1060) SUB(N)(:ILEN)
- IF (LLAN) WRITE (LOUT, 2070) SUB(N)(:ILEN)
- ELSE
- LLAN = .TRUE.
- NLAN = NLAN + 1
- ILAN(NLAN) = II
- CALL IPPARR (RSTR,1,NLAR,PLAN(1,NLAN),NVAL,IER,LOUT)
- IF (IER .NE. 0) THEN
- WRITE (LOUT, 1010) SUB(N)(:ILEN)
- KERR = .TRUE.
- ENDIF
- WRITE (LOUT, 3000) (PLAN(L,NLAN),L=1,2)
- ENDIF
-C
- ELSEIF (UPCASE(KEY,4).EQ.'FORD' .OR.
- 1 UPCASE(KEY,4).EQ.'RORD') THEN
- LFORD = (UPCASE(KEY,4) .EQ. 'FORD')
- LRORD = (UPCASE(KEY,4) .EQ. 'RORD')
- IF (NORD.EQ.0 .OR.(NORD.GT.0 .AND. IORD(NORD).NE.II)) THEN
- NORD = NORD + 1
- IORD(NORD) = II
- NKORD = 0
-C
- IF (NRNU.GT.0 .AND. IRNU(NRNU).EQ.II) THEN
- DO 111 L = 1, 6
- IF (NUNK(L,II) .NE. 0) THEN
- NKORD = NKORD + 1
- IF (RNU(L,NRNU) .LT. 0.0) THEN
- KORD(NKORD,NORD) = -NUNK(L,II)
- RORD(NKORD,NORD) = ABS(RNU(L,NRNU))
- ELSE
- KORD(NKORD,NORD) = NUNK(L,II)
- RORD(NKORD,NORD) = RNU(L,NRNU)
- ENDIF
- ENDIF
- 111 CONTINUE
- ELSE
- DO 113 L = 1, 6
- IF (NUNK(L,II) .NE. 0) THEN
- NKORD = NKORD + 1
- IF (NU(L,II) .LT. 0) THEN
- KORD(NKORD,NORD) = -NUNK(L,II)
- RORD(NKORD,NORD) = IABS(NU(L,II))
- ELSE
- KORD(NKORD,NORD) = NUNK(L,II)
- RORD(NKORD,NORD) = NU(L,II)
- ENDIF
- ENDIF
- 113 CONTINUE
- ENDIF
- ENDIF
-C
- CALL IPNPAR (RSTR, 1, ISTR, ISTART)
- IF (ISTART .GE. 1) THEN
- CALL IPPARR (ISTR, 1, 1, VAL, NVAL, IER, LOUT)
- CALL CKCOMP (RSTR(:ISTART-1), KNAME, KK, K)
- IF (LFORD) K = -K
- NK = 0
- DO 121 L = 1, MAXORD
-C
- IF (KORD(L,NORD).EQ.0) THEN
- NK = L
- GO TO 122
- ELSEIF (KORD(L,NORD).EQ.K) THEN
- IF (LFORD) THEN
- WRITE (LOUT,*)
- 1' Warning...changing order for reactant...',
- 2 KNAME(-K)
- ELSE
- WRITE (LOUT,*)
- 1' Warning...changing order for product...',
- 2 KNAME(K)
- ENDIF
- NK = L
- GO TO 122
- ENDIF
- 121 CONTINUE
- 122 CONTINUE
- KORD(NK,NORD) = K
- RORD(NK,NORD) = VAL(1)
- IF (LFORD) THEN
- WRITE (LOUT, 3015) KNAME(-K),VAL(1)
- ELSE
- WRITE (LOUT, 3016) KNAME(K),VAL(1)
- ENDIF
- ENDIF
-C
-
- ELSE
-C
-C ENHANCED THIRD BODIES
-C
- CALL CKCOMP (KEY, KNAME, KK, K)
- IF (K .EQ. 0) THEN
- WRITE (LOUT, 1040) KEY(:ILASCH(KEY))
- KERR = .TRUE.
- ELSE
- IF (.NOT.LTHB) THEN
- KERR = .TRUE.
- WRITE (LOUT, 1020) SUB(N)(:ILEN)
- ELSE
- IF (NTBS(NTHB) .EQ. MAXTB) THEN
- KERR = .TRUE.
- WRITE (LOUT, 1030) SUB(N)(:ILEN)
- ELSE
- CALL IPPARR (RSTR, 1, 1, VAL, NVAL, IER, LOUT)
- IF (IER .EQ. 0) THEN
- WRITE (LOUT, 3010) KNAME(K),VAL(1)
- NTBS(NTHB) = NTBS(NTHB) + 1
- NKTB(NTBS(NTHB),NTHB) = K
- AIK(NTBS(NTHB),NTHB) = VAL(1)
- ELSE
- WRITE (LOUT, 1020) SUB(N)(:ILEN)
- KERR = .TRUE.
- ENDIF
- ENDIF
- ENDIF
- ENDIF
- ENDIF
- 500 CONTINUE
-C
-C FORMATS
-C
- 1000 FORMAT (6X,'Error in HV declaration...',A)
- 1010 FORMAT (6X,'Error in LT declaration..',A)
- 1020 FORMAT (6X,'Error in third body declaration...',A)
- 1030 FORMAT (6X,'Error...more than MAXTB third bodies...',A)
- 1040 FORMAT (6X,'Error...undeclared species...',A)
- 1050 FORMAT (6X,'Error...this is not a fall-off reaction...',A)
- 1060 FORMAT (6X,'Error...LT declared in fall-off reaction...',A)
- 1070 FORMAT (6X,'Error...RLT declared in fall-off reaction...',A)
- 1080 FORMAT (6X,'Error...RLT declared in irreversible reaction...',A)
- 1090 FORMAT (6X,'Error...REV declared in fall-off reaction...',A)
- 2000 FORMAT (6X,'Error...LOW declared more than once...',A)
- 2010 FORMAT (6X,'Error...TROE declared more than once...',A)
- 2020 FORMAT (6X,'Error in fall-off parameters...',A)
- 2030 FORMAT (6X,'Error...cannot use both TROE and SRI...',A)
- 2040 FORMAT (6X,'Error...SRI declared more than once...',A)
- 2050 FORMAT (6X,'Error...REV declared more than once...',A)
- 2060 FORMAT (6X,'Error...REV declared for irreversible reaction...',A)
- 2070 FORMAT (6X,'Error...LT declared more than once...',A)
- 2080 FORMAT (6X,'Error...RLT declared more than once...',A)
- 2090 FORMAT (6X,'Error in auxiliary data...',A)
- 3000 FORMAT (9X,'Landau-Teller parameters: B=',E12.5,', C=',E12.5)
- 3010 FORMAT (9X,A16,' Enhanced by ',1PE12.3)
- 3015 FORMAT (7X,A16,' Forward order ',1PE12.3)
- 3016 FORMAT (7X,A16,' Reverse order ',1PE12.3)
- 3020 FORMAT (9X,'Radiation wavelength (A): ',F10.2)
-C 1900 FORMAT (6X,A,T51,E10.3,F7.3,F11.3)
- 1900 FORMAT (6X, A, T53, 1PE8.2, 2X, 0PF5.1, 2X, F9.1)
- 3040 FORMAT (9X,'Reverse Landau-Teller parameters: B=',E12.5,
- 1 ', C=',E12.5)
- 3050 FORMAT (6X,'Low pressure limit:',3E13.5)
- 3060 FORMAT (6X,'SRI centering: ',3E13.5)
- 3070 FORMAT (6X,'SRI centering: ',5E13.5)
- 3080 FORMAT (6X,'TROE centering: ',3E13.5)
- 3090 FORMAT (6X,'TROE centering: ',4E13.5)
- 4000 FORMAT (6X,'Declared duplicate reaction...')
- END
-C----------------------------------------------------------------------C
- SUBROUTINE CKPRNT (MDIM, MAXTP, MM, ENAME, KK, KNAME, WTM,
- 1 KPHSE, KCHRG, NT, T, TLO, TMID, THI, KNCF,
- 2 ITHRM, LOUT, KERR)
-C
-C Prints species interpreter output and checks for completeness.
-C----------------------------------------------------------------------C
-C*****precision > double
- IMPLICIT DOUBLE PRECISION (A-H,O-Z), INTEGER (I-N)
-C*****END precision > double
-C*****precision > single
-C IMPLICIT REAL (A-H,O-Z), INTEGER (I-N)
-C*****END precision > single
-C
- DIMENSION WTM(*), KPHSE(*), KCHRG(*), T(MAXTP,*),
- 1 NT(*), KNCF(MDIM,*), IPLUS(10)
- LOGICAL KERR, ITHRM(*)
- CHARACTER ENAME(*)*(*), KNAME(*)*(*), IPHSE(3)*1, INUM(10)*1
- DATA IPHSE/'S','G','L'/
- DATA INUM/'0','1','2','3','4','5','6','7','8','9'/
-C
- WRITE (LOUT, 400) (ENAME(M), M = 1, MM)
- WRITE (LOUT, 300)
-C
- DO 100 K = 1, KK
-C
- IF (T(1,K) .LT. 0.0) T(1,K) = TLO
- IF (T(2,K) .LT. 0.0) T(2,K) = TMID
- IF (T(3,K) .LT. 0.0) T(NT(K),K) = THI
- WRITE (LOUT, 500) K, KNAME(K), IPHSE(KPHSE(K)+2), KCHRG(K),
- 1 WTM(K), T(1,K), T(NT(K),K), (KNCF(M,K),M=1,MM)
- IF (T(1,K) .GE. T(NT(K),K)) THEN
- KERR = .TRUE.
- WRITE (LOUT, 240)
- ENDIF
- IF (T(1,K) .GT. T(2,K)) THEN
- WRITE (LOUT, 250)
- KERR = .TRUE.
- ENDIF
- IF (T(NT(K),K) .LT. T(2,K)) THEN
- WRITE (LOUT, 260)
- KERR = .TRUE.
- ENDIF
-C
-C each species must have thermodynamic data
-C
- IF (.NOT. ITHRM(K)) THEN
- KERR = .TRUE.
- WRITE (LOUT, 200)
- ENDIF
-C
-C a species cannot start with a number
-C
- CALL CKCOMP (KNAME(K)(:1), INUM, 10, I)
- IF (I .GT. 0) THEN
- KERR = .TRUE.
- WRITE (LOUT, 210)
- ENDIF
-C
-C if '+' sign is used in a species name,
-C examples of legal species symbols with + are:
-C OH(+)2, OH(+2), OH+, OH++, OH+++, OH(+), OH(++),
-C OH[+OH], OH2+, OH+2
-C
-C examples of illegal species symbols with + are:
-C +OH (symbol starts with a +, this will cause
-C confusion in a reaction)
-C OH(+OH) (symbol in parentheses is another species-
-C this arrangement is reserved for a fall-off
-C reaction)
-C OH+OH (plus delimits other species names, this
-C will cause confusion in a reaction)
-C
- NPLUS = 0
- DO 50 N = 1, ILASCH(KNAME(K))
- IF (KNAME(K)(N:N) .EQ. '+') THEN
- NPLUS = NPLUS + 1
- IPLUS(NPLUS) = N
- ENDIF
- 50 CONTINUE
- DO 60 N = 1, NPLUS
- I1 = IPLUS(N)
- IF (I1 .EQ. 1) THEN
- WRITE (LOUT, 220)
- KERR = .TRUE.
- ELSE
-C
-C is there another species name in parentheses
-C
- IF (KNAME(K)(I1-1:I1-1) .EQ. '(') THEN
- I1 = I1 + 1
- I2 = I1 + INDEX(KNAME(K)(I1:),')')-1
- IF (I2 .GT. I1) THEN
- CALL CKCOMP (KNAME(K)(I1:I2-1), KNAME, KK, KNUM)
- IF (KNUM .GT. 0) THEN
- WRITE (LOUT, 230)
- KERR = .TRUE.
- ENDIF
- ENDIF
- ENDIF
-C
-C is there another species name after a +
-C
- I1 = I1 + 1
- IF (N .LT. NPLUS) THEN
- DO 55 L = N+1, NPLUS
- I2 = IPLUS(L)
- IF (I2 .GT. I1) THEN
- CALL CKCOMP (KNAME(K)(I1:I2-1),KNAME,KK,KNUM)
- IF (KNUM .GT. 0) THEN
- WRITE (LOUT, 230)
- KERR = .TRUE.
- ENDIF
- ENDIF
- 55 CONTINUE
- ENDIF
-C
- I2 = ILASCH(KNAME(K))
- IF (I2 .GE. I1) THEN
- CALL CKCOMP (KNAME(K)(I1:I2), KNAME, KK, KNUM)
- IF (KNUM .GT. 0) THEN
- WRITE (LOUT, 230)
- KERR = .TRUE.
- ENDIF
- ENDIF
- ENDIF
- 60 CONTINUE
-C
- 100 CONTINUE
- WRITE (LOUT, 300)
- RETURN
-C
- 200 FORMAT (6X,'Error...no thermodynamic properties for species')
- 210 FORMAT (6X,'Error...species starts with a number')
- 220 FORMAT (6X,'Error...species starts with a plus')
- 230 FORMAT (6X,'Error...illegal + in species name')
- 240 FORMAT (6X,'Error...High temperature must be < Low temperature')
- 250 FORMAT (6X,'Error...Low temperature must be <= Mid temperature')
- 260 FORMAT (6X,'Error...High temperature must be => Mid temperature')
- 300 FORMAT (1X,79('-'))
-C 400 FORMAT (1X,79('-'),/21X,'C',/18X,'P',2X,'H',/18X,'H',2X,'A',
-C 1 /18X,'A',2X,'R',/1X,'SPECIES',10X,'S',2X,'G',2X,
-C 2 'MOLECULAR',3X,'TEMPERATURE',4X,'ELEMENT COUNT',/1X,
-C 3 'CONSIDERED',7X,'E',2X,'E',2X,'WEIGHT',6X,'LOW',5X,
-C 4 'HIGH',3X,15(A3),/1X,79('-'))
-C 500 FORMAT (I4,'. ',A10,2X,A1,I3,F11.5,2(F8.1),15(I3))
-C
- 400 FORMAT (1X,79('-'),/T26,'C',/T24,'P H',/T24,'H A',/T24,'A R',
- 1 /1X,'SPECIES',T24,'S G',T28,'MOLECULAR',T38,'TEMPERATURE',
- 2 T52,'ELEMENT COUNT',
- 3 /1X,'CONSIDERED',T24,'E E',T28,'WEIGHT',T38,'LOW',
- 4 T45,'HIGH',T52,15(A3))
- 500 FORMAT (1X,I3,'. ',A16,T24,A1,T26,I1,T28,F9.5,T38,F6.1,T45,F6.1,
- 1 T51,15(I3))
- END
-C----------------------------------------------------------------------C
- SUBROUTINE CPREAC (II, MAXSP, NSPEC, NPAR, PAR, RPAR, AUNITS,
- 1 EUNITS, NREAC, NUNK, NU, KCHRG, MDIM, MM, KNCF,
- 2 IDUP, NFAL, IFAL, KFAL, NFAR, PFAL, IFOP, NREV,
- 3 IREV, NTHB, ITHB, NLAN, ILAN, NRLT, IRLT, KERR,
- 4 LOUT, NRNU, IRNU, RNU, CKMIN)
-C
-C Prints reaction interpreter output and checks for reaction
-C balance, duplication, and missing data in 'REV' reactions;
-C correct units of Arrhenius parameters
-C
-C Input: II - the index number of the reaction
-C MAXSP - maximum number of species allowed in a reaction
-C NSPEC - array of the number of species in the reactions
-C NPAR - the number of Arrhenius parameters required
-C PAR - matrix of Arrhenius parameters for the reactions
-C RPAR - matrix of reverse Arrhenius parameters for the
-C reactions which declared them
-C AUNITS - character string which describes the input units
-C of A, the pre-exponential factor PAR(1,I)
-C EUNITS - character string which describes the input units
-C of E, the activation energy PAR(3,I)
-C NREAC - array of the number of reactants in the reactions
-C NUNK - matrix of the species numbers of the reactants
-C and products in the reactions
-C NU - matrix of the stoichiometric coefficients of the
-C reactants and products in the reactions
-C KCHRG - array of the electronic charges of the species
-C MDIM - the maximum number of elements allowed
-C MM - the actual number of elements declared
-C KNCF - matrix of elemental composition of the species
-C IDUP - array of integer flags to indicate duplicate
-C reactions
-C NFAL - total number of reactions with fall-off
-C IFAL - array of the NFAL reaction numbers
-C NFAR - maximum number of fall-off parameters allowed
-C PFAL - matrix of fall-off parameters for the NFAL
-C reactions
-C IFOP - array of integer fall-off types for the NFAL
-C reactions
-C NREV - total number of reactions with reverse parameters
-C IREV - array of the NREV reaction numbers
-C NTHB - total number of reactions with third-bodies
-C ITHB - array of the NTHB reaction numbers
-C NLAN - total number of reactions with Landauer-Teller
-C parameters
-C ILAN - array of the NLAN reaction numbers
-C NRLT - total number of reactions with reverse
-C Landauer-Teller parameters
-C IRLT - array of the NRLT reaction numbers
-C KERR - logical error flag
-C LOUT - unit number for output messages
-C
-C----------------------------------------------------------------------C
-C
-C*****precision > double
- IMPLICIT DOUBLE PRECISION (A-H,O-Z), INTEGER (I-N)
-C*****END precision > double
-C*****precision > single
-C IMPLICIT REAL (A-H,O-Z), INTEGER (I-N)
-C*****END precision > single
-C
- DIMENSION NSPEC(*), PAR(NPAR,*), RPAR(NPAR,*), NREAC(*),
- 1 NUNK(MAXSP,*), NU(MAXSP,*), KCHRG(*), KNCF(MDIM,*),
- 2 IDUP(*), IFAL(*), KFAL(*), PFAL(NFAR,*), IFOP(*),
- 3 IREV(*), ITHB(*), ILAN(*), IRLT(*), IRNU(*),
- 4 RNU(MAXSP,*)
- CHARACTER*(*) AUNITS, EUNITS
- LOGICAL IERR,KERR,LREV,LLAN,LRLT
-C
- IF (NRNU.GT.0 .AND. (II.EQ.IRNU(NRNU))) THEN
- CALL CKRBAL (MAXSP, NUNK(1,II), RNU(1,NRNU), MDIM, MM, KCHRG,
- 1 KNCF, CKMIN, IERR)
- ELSE
- CALL CKBAL (MAXSP, NUNK(1,II), NU(1,II), MDIM, MM, KCHRG, KNCF,
- 1 IERR)
- ENDIF
-C
- IF (IERR) THEN
- KERR = .TRUE.
- WRITE (LOUT, 1060)
- ENDIF
-C
- CALL CKDUP (II, MAXSP, NSPEC, NREAC, NU, NUNK, NFAL, IFAL, KFAL,
- 1 ISAME)
-C
- IF (ISAME .GT. 0) THEN
- IF (IDUP(ISAME).NE.0 .AND. IDUP(II).NE.0) THEN
- IDUP(ISAME) = ABS(IDUP(ISAME))
- IDUP(II) = ABS(IDUP(II))
- ELSE
- N1 = 0
- N2 = 0
- IF (NTHB .GT. 1) THEN
- DO 150 N = 1, NTHB
- IF (ITHB(N) .EQ. ISAME) N1 = 1
- IF (ITHB(N) .EQ. II) N2 = 1
- 150 CONTINUE
- ENDIF
- IF (N1 .EQ. N2) THEN
- KERR = .TRUE.
- WRITE (LOUT, 1050) ISAME
- ENDIF
- ENDIF
- ENDIF
-C
- IF (NFAL.GT.0 .AND. IFAL(NFAL).EQ.II .AND. IFOP(NFAL).LT.0) THEN
- KERR = .TRUE.
- WRITE (LOUT, 1020)
- ENDIF
-C
- LREV = (NREV.GT.0 .AND. IREV(NREV).EQ.II)
- LLAN = (NLAN.GT.0 .AND. ILAN(NLAN).EQ.II)
- LRLT = (NRLT.GT.0 .AND. IRLT(NRLT).EQ.II)
- IF (LREV .AND. LLAN .AND. (.NOT.LRLT)) THEN
- KERR = .TRUE.
- WRITE (LOUT, 1030)
- ENDIF
- IF (LRLT .AND. (.NOT.LLAN)) THEN
- KERR = .TRUE.
- WRITE (LOUT, 1040)
- ENDIF
- IF (LRLT .AND. (.NOT.LREV)) THEN
- KERR = .TRUE.
- WRITE (LOUT, 1045)
- ENDIF
-C
- IF (EUNITS .EQ. 'KELV') THEN
- EFAC = 1.0
- ELSEIF (EUNITS .EQ. 'CAL/') THEN
-C convert E from cal/mole to Kelvin
- EFAC = 1.0 / 1.987
- ELSEIF (EUNITS .EQ. 'KCAL') THEN
-C convert E from kcal/mole to Kelvin
- EFAC = 1000.0 / 1.987
- ELSEIF (EUNITS .EQ. 'JOUL') THEN
-C convert E from Joules/mole to Kelvin
- EFAC = 1.0 / 8.314
- ELSEIF (EUNITS .EQ. 'KJOU') THEN
-C convert E from Kjoules/mole to Kelvin
- EFAC = 1000.0 / 8.314
- ENDIF
- PAR(3,II) = PAR(3,II) * EFAC
-C
-C IF (NREV.GT.0 .AND. IREV(NREV).EQ.II) RPAR(3,II)=RPAR(3,II)*EFAC
-C IF (NFAL.GT.0 .AND. IFAL(NFAL).EQ.II) PFAL(3,II)=PFAL(3,II)*EFAC
-C
- IF (NREV.GT.0 .AND. IREV(NREV).EQ.II)
- 1 RPAR(3,NREV) = RPAR(3,NREV) * EFAC
- IF (NFAL.GT.0 .AND. IFAL(NFAL).EQ.II)
- 1 PFAL(3,NFAL) = PFAL(3,NFAL) * EFAC
-C
- IF (AUNITS .EQ. 'MOLC') THEN
- NSTOR = 0
- NSTOP = 0
- DO 50 N = 1, MAXSP
- IF (NU(N,II) .LT. 0) THEN
-C sum of stoichiometric coefficients of reactants
- NSTOR = NSTOR + ABS(NU(N,II))
- ELSEIF (NU(N,II) .GT. 0) THEN
-C sum of stoichiometric coefficients of products
- NSTOP = NSTOP + NU(N,II)
- ENDIF
- 50 CONTINUE
-C
- AVAG = 6.023E23
-C
- IF (NFAL.GT.0 .AND. IFAL(NFAL).EQ.II) THEN
-C
-C fall-off reaction, "(+M)" or "(+species name)" does not
-C count except in "LOW" A-factor;
-C reverse-rate declarations are not allowed
-C
- IF (NSTOR.GT.0) PAR(1,II) = PAR(1,II) * AVAG**(NSTOR-1)
- NSTOR = NSTOR + 1
- IF (NSTOR.GT.0) PFAL(1,NFAL) = PFAL(1,NFAL)*AVAG**(NSTOR-1)
-C
- ELSEIF (NTHB.GT.0 .AND. ITHB(NTHB).EQ.II) THEN
-C
-C third body reaction, "+M" counts as species in
-C forward and reverse A-factor conversion
-C
- NSTOR = NSTOR + 1
- NSTOP = NSTOP + 1
- IF (NSTOR.GT.0) PAR(1,II) = PAR(1,II) * AVAG**(NSTOR-1)
- IF (NREV.GT.0 .AND. IREV(NREV).EQ.II .AND. NSTOP.GT.0)
- 1 RPAR(1,NREV) = RPAR(1,NREV) * AVAG**(NSTOP-1)
-C
- ELSE
-C
-C not third-body or fall-off reaction, but may have
-C reverse rates.
-C
- IF (NSTOR .GT. 0) PAR(1,II) = PAR(1,II) * AVAG**(NSTOR-1)
- IF (NREV.GT.0 .AND. IREV(NREV).EQ.II .AND. NSTOP.GT.0)
- 1 RPAR(1,NREV) = RPAR(1,NREV) * AVAG**(NSTOP-1)
- ENDIF
- ENDIF
-C
- 1020 FORMAT (6X,'Error...no LOW parameters given for fall-off...')
- 1030 FORMAT (6X,'Error...reverse T-L required...')
- 1040 FORMAT (6X,'Error...forward T-L required...')
- 1045 FORMAT (6X,'Error...REV parameters must be given with RTL...')
- 1050 FORMAT (6X,'Error...undeclared duplicate to reaction number ',I3)
- 1060 FORMAT (6X,'Error...reaction does not balance...')
- RETURN
- END
-C----------------------------------------------------------------------C
- SUBROUTINE CKBAL (MXSPEC, KSPEC, KCOEF, MDIM, MM, KCHRG, KNCF,
- 1 IERR)
-C
-C Checks elemental balance of reactants vs. products.
-C Checks charge balance of reaction.
-C
-C Input: MXSPEC - number of species allowed in a reaction
-C KSPEC(N),N=1,MXSPEC- array of species numbers in reaction
-C KCOEF(N) - stoichiometric coefficients of the species
-C MDIM - maximum number of elements allowed
-C MM - actual integer number of elements
-C KCHRG(K) - ionic charge Kth species
-C KNCF(M,K)- integer elemental composition of Kth species
-C Output: KERR - logical, =.TRUE. if reaction does not balance
-C F. Rupley, Div. 8245, 5/13/86
-C----------------------------------------------------------------------C
-C*****precision > double
- IMPLICIT DOUBLE PRECISION (A-H,O-Z), INTEGER (I-N)
-C*****END precision > double
-C*****precision > single
-C IMPLICIT REAL (A-H,O-Z), INTEGER (I-N)
-C*****END precision > single
-C
- DIMENSION KSPEC(*), KCOEF(*), KNCF(MDIM,*), KCHRG(*)
- LOGICAL IERR
-C
- IERR = .FALSE.
-C
-C charge balance
-C
- KBAL = 0
- DO 50 N = 1, MXSPEC
- IF (KSPEC(N) .NE. 0)
- 1 KBAL = KBAL + KCOEF(N)*KCHRG(KSPEC(N))
- 50 CONTINUE
- IF (KBAL .NE. 0) IERR = .TRUE.
-C
-C element balance
-C
- DO 100 M = 1, MM
- MBAL = 0
- DO 80 N = 1, MXSPEC
- IF (KSPEC(N) .NE. 0)
- 1 MBAL = MBAL + KCOEF(N)*KNCF(M,KSPEC(N))
- 80 CONTINUE
- IF (MBAL .NE. 0) IERR = .TRUE.
- 100 CONTINUE
- RETURN
- END
-C----------------------------------------------------------------------C
- SUBROUTINE CKRBAL (MXSPEC, KSPEC, RCOEF, MDIM, MM, KCHRG, KNCF,
- 1 CKMIN, IERR)
-C
-C Checks elemental balance of reactants vs. products.
-C Checks charge balance of reaction.
-C
-C Input: MXSPEC - number of species allowed in a reaction
-C KSPEC(N),N=1,MXSPEC- array of species numbers in reaction
-C RCOEF(N) - stoichiometric coefficients of the species
-C MDIM - maximum number of elements allowed
-C MM - actual integer number of elements
-C KCHRG(K) - ionic charge Kth species
-C KNCF(M,K)- integer elemental composition of Kth species
-C Output: KERR - logical, =.TRUE. if reaction does not balance
-C F. Rupley, Div. 8245, 5/13/86
-C----------------------------------------------------------------------C
-C*****precision > double
- IMPLICIT DOUBLE PRECISION (A-H,O-Z), INTEGER (I-N)
-C*****END precision > double
-C*****precision > single
-C IMPLICIT REAL (A-H,O-Z), INTEGER (I-N)
-C*****END precision > single
-C
- DIMENSION KSPEC(*), RCOEF(*), KNCF(MDIM,*), KCHRG(*)
- LOGICAL IERR
-C
- IERR = .FALSE.
-C
-C charge balance
-C
- SBAL = 0
- DO 50 N = 1, MXSPEC
- IF (KSPEC(N) .NE. 0)
- 1 SBAL = SBAL + RCOEF(N)*KCHRG(KSPEC(N))
- 50 CONTINUE
- IF (ABS(SBAL) .GT. CKMIN) IERR = .TRUE.
-C
-C element balance
-C
- DO 100 M = 1, MM
- SMBAL = 0
- DO 80 N = 1, MXSPEC
- IF (KSPEC(N) .NE. 0)
- 1 SMBAL = SMBAL + RCOEF(N)*KNCF(M,KSPEC(N))
- 80 CONTINUE
- IF (ABS(SMBAL) .GT. CKMIN) IERR = .TRUE.
- 100 CONTINUE
- RETURN
- END
-C----------------------------------------------------------------------C
- SUBROUTINE CKDUP (I, MAXSP, NS, NR, NU, NUNK, NFAL, IFAL, KFAL,
- 1 ISAME)
-C
-C Checks reaction I against the (I-1) reactions for duplication
-C----------------------------------------------------------------------C
-C*****precision > double
- IMPLICIT DOUBLE PRECISION (A-H,O-Z), INTEGER (I-N)
-C*****END precision > double
-C*****precision > single
-C IMPLICIT REAL (A-H,O-Z), INTEGER (I-N)
-C*****END precision > single
-C
- DIMENSION NS(*), NR(*), NU(MAXSP,*), NUNK(MAXSP,*), IFAL(*),
- 1 KFAL(*)
-C
- ISAME = 0
- NRI = NR(I)
- NPI = ABS(NS(I)) - NR(I)
-C
- DO 500 J = 1, I-1
-C
- NRJ = NR(J)
- NPJ = ABS(NS(J)) - NR(J)
-C
- IF (NRJ.EQ.NRI .AND. NPJ.EQ.NPI) THEN
-C
- NSAME = 0
- DO 20 N = 1, MAXSP
- KI = NUNK(N,I)
- NI = NU(N,I)
-C
- DO 15 L = 1, MAXSP
- KJ = NUNK(L,J)
- NJ = NU(L,J)
- IF (NJ.NE.0 .AND. KJ.EQ.KI .AND. NJ.EQ.NI)
- 1 NSAME = NSAME + 1
- 15 CONTINUE
- 20 CONTINUE
-C
- IF (NSAME .EQ. ABS(NS(J))) THEN
-C
-C same products, reactants, coefficients, check fall-off
-C third body
-C
- IF (NFAL.GT.0 .AND. IFAL(NFAL).EQ.I) THEN
- DO 22 N = 1, NFAL-1
- IF (J.EQ.IFAL(N) .AND. KFAL(N).EQ.KFAL(NFAL)) THEN
- ISAME = J
- RETURN
- ENDIF
- 22 CONTINUE
- RETURN
- ENDIF
-C
- ISAME = J
- RETURN
- ENDIF
- ENDIF
-C
- IF (NPI.EQ.NRJ .AND. NPJ.EQ.NRI) THEN
-C
- NSAME = 0
- DO 30 N = 1, MAXSP
- KI = NUNK(N,I)
- NI = NU(N,I)
-C
- DO 25 L = 1, MAXSP
- KJ = NUNK(L,J)
- NJ = NU(L,J)
- IF (NJ.NE.0 .AND. KJ.EQ.KI .AND. -NJ.EQ.NI)
- 1 NSAME = NSAME + 1
- 25 CONTINUE
- 30 CONTINUE
-C
- IF (NSAME.EQ.ABS(NS(J)) .AND.
- 1 (NS(J).GT.0 .OR. NS(I).GT.0)) THEN
-C
-C same products as J reactants, and vice-versa
-C
- IF (NFAL.GT.0 .AND. IFAL(NFAL).EQ.I) THEN
- DO 32 N = 1, NFAL-1
- IF (J.EQ.IFAL(N) .AND. KFAL(N).EQ.KFAL(NFAL)) THEN
- ISAME = J
- RETURN
- ENDIF
- 32 CONTINUE
- RETURN
- ENDIF
-C
- ISAME = J
- RETURN
- ENDIF
- ENDIF
-C
- 500 CONTINUE
- RETURN
- END
-C----------------------------------------------------------------------C
- SUBROUTINE CKISUB (LINE, SUB, NSUB)
-C
-C Generates an array of CHAR*(*) substrings from a CHAR*(*) string,
-C using blanks or tabs as delimiters
-C
-C Input: LINE - a CHAR*(*) line
-C Output: SUB - a CHAR*(*) array of substrings
-C NSUB - number of substrings found
-C A '!' will comment out a line, or remainder of the line.
-C F. Rupley, Div. 8245, 5/15/86
-C----------------------------------------------------------------------C
-C*****precision > double
- IMPLICIT DOUBLE PRECISION (A-H,O-Z), INTEGER (I-N)
-C*****END precision > double
-C*****precision > single
-C IMPLICIT REAL (A-H,O-Z), INTEGER (I-N)
-C*****END precision > single
-C
- CHARACTER*(*) SUB(*), LINE
- NSUB = 0
-C
- DO 5 N = 1, LEN(LINE)
- IF (ICHAR(LINE(N:N)) .EQ. 9) LINE(N:N) = ' '
- 5 CONTINUE
-C
- IF (IPPLEN(LINE) .LE. 0) RETURN
-C
- ILEN = ILASCH(LINE)
-C
- NSTART = IFIRCH(LINE)
- 10 CONTINUE
- ISTART = NSTART
- NSUB = NSUB + 1
- SUB(NSUB) = ' '
-C
- DO 100 I = ISTART, ILEN
- ILAST = INDEX(LINE(ISTART:),' ') - 1
- IF (ILAST .GT. 0) THEN
- ILAST = ISTART + ILAST - 1
- ELSE
- ILAST = ILEN
- ENDIF
- SUB(NSUB) = LINE(ISTART:ILAST)
- IF (ILAST .EQ. ILEN) RETURN
-C
- NSTART = ILAST + IFIRCH(LINE(ILAST+1:))
-C
-C Does SUB have any slashes?
-C
- I1 = INDEX(SUB(NSUB),'/')
- IF (I1 .LE. 0) THEN
- IF (LINE(NSTART:NSTART) .NE. '/') GO TO 10
- NEND = NSTART + INDEX(LINE(NSTART+1:),'/')
- IND = INDEX(SUB(NSUB),' ')
- SUB(NSUB)(IND:) = LINE(NSTART:NEND)
- IF (NEND .EQ. ILEN) RETURN
- NSTART = NEND + IFIRCH(LINE(NEND+1:))
- GO TO 10
- ENDIF
-C
-C Does SUB have 2 slashes?
-C
- I2 = INDEX(SUB(NSUB)(I1+1:),'/')
- IF (I2 .GT. 0) GO TO 10
-C
- NEND = NSTART + INDEX(LINE(NSTART+1:),'/')
- IND = INDEX(SUB(NSUB),' ') + 1
- SUB(NSUB)(IND:) = LINE(NSTART:NEND)
- IF (NEND .EQ. ILEN) RETURN
- NSTART = NEND + IFIRCH(LINE(NEND+1:))
-C GO TO 10
- 100 CONTINUE
- RETURN
- END
-C----------------------------------------------------------------------C
- SUBROUTINE IPNPAR (LINE, NPAR, IPAR, ISTART)
-C
-C Returns CHAR*(*) IPAR substring of CHAR*(*) string LINE which
-C contains NPAR real parameters
-C
-C Input: LINE - a CHAR*(*) line
-C NPAR - number of parameters expected
-C Output: IPAR - the substring of parameters only
-C ISTART - the starting location of IPAR substring
-C A '!' will comment out a line, or remainder of the line.
-C F. Rupley, Div. 8245, 5/14/86
-C----------------------------------------------------------------------C
-C*****precision > double
- IMPLICIT DOUBLE PRECISION (A-H,O-Z), INTEGER (I-N)
-C*****END precision > double
-C*****precision > single
-C IMPLICIT REAL (A-H,O-Z), INTEGER (I-N)
-C*****END precision > single
-C
- CHARACTER*(*) LINE,IPAR
-C
-C----------Find Comment String (! signifies comment)
-C
- ILEN = IPPLEN(LINE)
- ISTART = 0
- N = 0
- IF (ILEN.GT.0) THEN
- DO 40 I = ILEN, 1, -1
- ISTART = I
- IPAR = ' '
- IPAR = LINE(ISTART:ILEN)
- IF (LINE(I:I).NE.' ') THEN
- IF (I .EQ. 1) RETURN
- IF (LINE(I-1:I-1) .EQ. ' ') THEN
- N = N + 1
- IF (N .EQ. NPAR) RETURN
- ENDIF
- ENDIF
- 40 CONTINUE
- ENDIF
- RETURN
- END
-C----------------------------------------------------------------------C
- SUBROUTINE IPPARI(STRING, ICARD, NEXPEC, IVAL, NFOUND, IERR, LOUT)
-C BEGIN PROLOGUE IPPARI
-C REFER TO IPGETI
-C DATE WRITTEN 850625 (YYMMDD)
-C REVISION DATE 851725 (YYMMDD)
-C CATEGORY NO. J3.,J4.,M2.
-C KEYWORDS PARSE
-C AUTHOR CLARK,G.L.,GROUP C-3 LOS ALAMOS NAT'L LAB
-C PURPOSE Parses integer variables from a character variable. Called
-C by IPGETI, the IOPAK routine used for interactive input.
-C DESCRIPTION
-C
-C-----------------------------------------------------------------------
-C IPPARI may be used for parsing an input record that contains integer
-C values, but was read into a character variable instead of directly
-C into integer variables.
-C The following benefits are gained by this approach:
-C - specification of only certain elements of the array is allowed,
-C thus letting the others retain default values
-C - variable numbers of values may be input in a record, up to a
-C specified maximum
-C - control remains with the calling program in case of an input
-C error
-C - diagnostics may be printed by IPPARI to indicate the nature
-C of input errors
-C
-C The contents of STRING on input indicate which elements of IVAL
-C are to be changed from their entry values, and values to which
-C they should be changed on exit. Commas and blanks serve as
-C delimiters, but multiple blanks are treated as a single delimeter.
-C Thus, an input record such as:
-C ' 1, 2,,40000 , ,60'
-C is interpreted as the following set of instructions by IPGETR:
-C
-C (1) set IVAL(1) = 1
-C (2) set IVAL(2) = 2
-C (3) leave IVAL(3) unchanged
-C (4) set IVAL(4) = 40000
-C (5) leave IVAL(5) unchanged
-C (6) set IVAL(6) = 60
-C
-C IPPARI will print diagnostics on the default output device, if
-C desired.
-C
-C IPPARI is part of IOPAK, and is written in ANSI FORTRAN 77
-C
-C Examples:
-C
-C Assume IVAL = (0, 0, 0) and NEXPEC = 3 on entry:
-C
-C input string IVAL on exit IERR NFOUND
-C ------------- ---------------------- ---- ------
-C ' 2 , 3 45 ' (2, 3, 45) 0 3
-C '2.15,,3' (2, 0, 3) 1 0
-C '3X, 25, 2' (0, 0, 0) 1 0
-C '10000' (10000, 0, 0) 2 1
-C
-C Assume IVAL = (0, 0, 0, 0) and NEXPEC = -4 on entry:
-C
-C input string IVAL on exit IERR NFOUND
-C ------------- ---------------------- ---- ------
-C '1, 2' (1, 2) 0 2
-C ',,37 400' (0, 0, 37, 400) 0 4
-C ' 1,,-3,,5' (1, 0, -3, 0) 3 4
-C
-C arguments: (I=input,O=output)
-C -----------------------------
-C STRING (I) - the character string to be parsed.
-C
-C ICARD (I) - data statement number, and error processing flag
-C < 0 : no error messages printed
-C = 0 : print error messages, but not ICARD
-C > 0 : print error messages, and ICARD
-C
-C NEXPEC (I) - number of real variables expected to be input. If
-C < 0, the number is unknown, and any number of values
-C between 0 and abs(nexpec) may be input. (see NFOUND)
-C
-C PROMPT (I) - prompting string, character type. A question
-C mark will be added to form the prompt at the screen.
-C
-C IVAL (I,O) - the integer value or values to be modified. On entry,
-C the values are printed as defaults. The formal parameter
-C corresponding to IVAL must be dimensioned at least NEXPEC
-C in the calling program if NEXPEC > 1.
-C
-C NFOUND (O) - the number of real values represented in STRING,
-C only in the case that there were as many or less than
-C NEXPEC.
-C
-C IERR (O) - error flag:
-C = 0 if no errors found
-C = 1 syntax errors or illegal values found
-C = 2 for too few values found (NFOUND < NEXPEC)
-C = 3 for too many values found (NFOUND > NEXPEC)
-C-----------------------------------------------------------------------
-C
-C REFERENCES (NONE)
-C ROUTINES CALLED IFIRCH,ILASCH
-C END PROLOGUE IPPARI
-C*****precision > double
- IMPLICIT DOUBLE PRECISION (A-H,O-Z), INTEGER (I-N)
-C*****END precision > double
-C
-C*****precision > single
-C IMPLICIT REAL (A-H,O-Z), INTEGER (I-N)
-C*****END precision > single
-C
-C
- CHARACTER STRING*(*), ITEMP*80
- DIMENSION IVAL(*)
- CHARACTER *8 FMT(14)
- LOGICAL OKINCR
-C
-C FIRST EXECUTABLE STATEMENT IPPARI
- IERR = 0
- NFOUND = 0
- NEXP = IABS(NEXPEC)
- IE = ILASCH(STRING)
- IF (IE .EQ. 0) GO TO 500
- NC = 1
-C
-C--- OKINCR is a flag that indicates it's OK to increment
-C--- NFOUND, the index of the array into which the value
-C--- should be read. It is set false when a space follows
-C--- an integer value substring, to keep incrementing from
-C--- occurring if a comma should be encountered before the
-C--- next value.
-C
- OKINCR = .TRUE.
-C
-C--- begin overall loop on characters in string
-C
-100 CONTINUE
-C
- IF (STRING(NC:NC) .EQ. ',') THEN
- IF (OKINCR .OR. NC .EQ. IE) THEN
- NFOUND = NFOUND + 1
- ELSE
- OKINCR = .TRUE.
- ENDIF
-C
- GO TO 450
- ENDIF
- IF (STRING(NC:NC) .EQ. ' ') GO TO 450
-C
-C--- first good character (non-delimeter) found - now find
-C--- last good character
-C
- IBS = NC
-160 CONTINUE
- NC = NC + 1
- IF (NC .GT. IE) GO TO 180
- IF (STRING(NC:NC) .EQ. ' ')THEN
- OKINCR = .FALSE.
- ELSEIF (STRING(NC:NC) .EQ. ',')THEN
- OKINCR = .TRUE.
- ELSE
- GO TO 160
- ENDIF
-C
-C--- end of substring found - read value into integer array
-C
-180 CONTINUE
- NFOUND = NFOUND + 1
- IF (NFOUND .GT. NEXP) THEN
- IERR = 3
- GO TO 500
- ENDIF
-C
- IES = NC - 1
- NCH = IES - IBS + 1
- DATA FMT/' (I1)', ' (I2)', ' (I3)', ' (I4)', ' (I5)',
- 1 ' (I6)', ' (I7)', ' (I8)', ' (I9)', '(I10)',
- 2 '(I11)', '(I12)', '(I13)', '(I14)'/
- ITEMP = ' '
- ITEMP = STRING(IBS:IES)
- READ (ITEMP(1:NCH), FMT(NCH), ERR = 400) IVAL(NFOUND)
- GO TO 450
-400 CONTINUE
- IERR = 1
- GO TO 510
-450 CONTINUE
- NC = NC + 1
- IF (NC .LE. IE) GO TO 100
-C
-500 CONTINUE
- IF (NEXPEC .GT. 0 .AND. NFOUND .LT. NEXP) IERR = 2
-510 CONTINUE
-C
- IF (IERR .EQ. 0 .OR. ICARD .LT. 0)RETURN
- IF (ICARD .NE. 0) WRITE (LOUT, '(A,I3)')
- 1 '!! ERROR IN DATA STATEMENT NUMBER', ICARD
- IF (IERR .EQ. 1)
- 1 WRITE (LOUT, '(A)')'SYNTAX ERROR, OR ILLEGAL VALUE'
- IF (IERR .EQ. 2) WRITE (LOUT, '(A,I2, A, I2)')
- 1 ' TOO FEW DATA ITEMS. NUMBER FOUND = ' , NFOUND,
- 2 ' NUMBER EXPECTED = ', NEXPEC
- IF (IERR .EQ. 3) WRITE (LOUT, '(A,I2)')
- 1 ' TOO MANY DATA ITEMS. NUMBER EXPECTED = ', NEXPEC
- END
-C
- SUBROUTINE IPPARR(STRING, ICARD, NEXPEC, RVAL, NFOUND, IERR, LOUT)
-C BEGIN PROLOGUE IPPARR
-C REFER TO IPGETR
-C DATE WRITTEN 850625 (YYMMDD)
-C REVISION DATE 851625 (YYMMDD)
-C CATEGORY NO. J3.,J4.,M2.
-C KEYWORDS PARSE
-C AUTHOR CLARK,G.L.,GROUP C-3 LOS ALAMOS NAT'L LAB
-C PURPOSE Parses real variables from a character variable. Called
-C by IPGETR, the IOPAK routine used for interactive input.
-C DESCRIPTION
-C
-C-----------------------------------------------------------------------
-C IPPARR may be used for parsing an input record that contains real
-C values, but was read into a character variable instead of directly
-C into real variables.
-C The following benefits are gained by this approach:
-C - specification of only certain elements of the array is allowed,
-C thus letting the others retain default values
-C - variable numbers of values may be input in a record, up to a
-C specified maximum
-C - control remains with the calling program in case of an input
-C error
-C - diagnostics may be printed by IPPARR to indicate the nature
-C of input errors
-C
-C The contents of STRING on input indicate which elements of RVAL
-C are to be changed from their entry values, and values to which
-C they should be changed on exit. Commas and blanks serve as
-C delimiters, but multiple blanks are treated as a single delimeter.
-C Thus, an input record such as:
-C ' 1., 2,,4.e-5 , ,6.e-6'
-C is interpreted as the following set of instructions by IPGETR:
-C
-C (1) set RVAL(1) = 1.0
-C (2) set RVAL(2) = 2.0
-C (3) leave RVAL(3) unchanged
-C (4) set RVAL(4) = 4.0E-05
-C (5) leave RVAL(5) unchanged
-C (6) set RVAL(6) = 6.0E-06
-C
-C IPPARR will print diagnostics on the default output device, if
-C desired.
-C
-C IPPARR is part of IOPAK, and is written in ANSI FORTRAN 77
-C
-C Examples:
-C
-C Assume RVAL = (0., 0., 0.) and NEXPEC = 3 on entry:
-C
-C input string RVAL on exit IERR NFOUND
-C ------------- ---------------------- ---- ------
-C ' 2.34e-3, 3 45.1' (2.34E-03, 3.0, 45.1) 0 3
-C '2,,3.-5' (2.0, 0.0, 3.0E-05) 0 3
-C ',1.4,0.028E4' (0.0, 1.4, 280.0) 0 3
-C '1.0, 2.a4, 3.0' (1.0, 0.0, 0.0) 1 1
-C '1.0' (1.0, 0.0, 0.0) 2 1
-C
-C Assume RVAL = (0.,0.,0.,0.) and NEXPEC = -4 on entry:
-C
-C input string RVAL on exit IERR NFOUND
-C ------------- ---------------------- ---- ------
-C '1.,2.' (1.0, 2.0) 0 2
-C ',,3 4.0' (0.0, 0.0, 3.0, 4.0) 0 4
-C '1,,3,,5.0' (0.0, 0.0, 3.0, 0.0) 3 4
-C
-C arguments: (I=input,O=output)
-C -----------------------------
-C STRING (I) - the character string to be parsed.
-C
-C ICARD (I) - data statement number, and error processing flag
-C < 0 : no error messages printed
-C = 0 : print error messages, but not ICARD
-C > 0 : print error messages, and ICARD
-C
-C NEXPEC (I) - number of real variables expected to be input. If
-C < 0, the number is unknown, and any number of values
-C between 0 and abs(nexpec) may be input. (see NFOUND)
-C
-C PROMPT (I) - prompting string, character type. A question
-C mark will be added to form the prompt at the screen.
-C
-C RVAL (I,O) - the real value or values to be modified. On entry,
-C the values are printed as defaults. The formal parameter
-C corresponding to RVAL must be dimensioned at least NEXPEC
-C in the calling program if NEXPEC > 1.
-C
-C NFOUND (O) - the number of real values represented in STRING,
-C only in the case that there were as many or less than
-C NEXPEC.
-C
-C IERR (O) - error flag:
-C = 0 if no errors found
-C = 1 syntax errors or illegal values found
-C = 2 for too few values found (NFOUND < NEXPEC)
-C = 3 for too many values found (NFOUND > NEXPEC)
-C-----------------------------------------------------------------------
-C
-C REFERENCES (NONE)
-C ROUTINES CALLED IFIRCH,ILASCH
-C END PROLOGUE IPPARR
-C*****precision > double
- IMPLICIT DOUBLE PRECISION (A-H,O-Z), INTEGER (I-N)
-C*****END precision > double
-C
-C*****precision > single
-C IMPLICIT REAL (A-H,O-Z), INTEGER (I-N)
-C*****END precision > single
-C
- CHARACTER STRING*(*), ITEMP*80
- DIMENSION RVAL(*)
- CHARACTER *8 FMT(22)
- LOGICAL OKINCR
-C
-C FIRST EXECUTABLE STATEMENT IPPARR
- IERR = 0
- NFOUND = 0
- NEXP = IABS(NEXPEC)
- IE = ILASCH(STRING)
- IF (IE .EQ. 0) GO TO 500
- NC = 1
-C
-C--- OKINCR is a flag that indicates it's OK to increment
-C--- NFOUND, the index of the array into which the value
-C--- should be read. It is set negative when a space follows
-C--- a real value substring, to keep incrementing from
-C--- occurring if a comma should be encountered before the
-C--- next value.
-C
- OKINCR = .TRUE.
-C
-C--- begin overall loop on characters in string
-C
-100 CONTINUE
-C
- IF (STRING(NC:NC) .EQ. ',') THEN
- IF (OKINCR) THEN
- NFOUND = NFOUND + 1
- ELSE
- OKINCR = .TRUE.
- ENDIF
-C
- GO TO 450
- ENDIF
- IF (STRING(NC:NC) .EQ. ' ') GO TO 450
-C
-C--- first good character (non-delimeter) found - now find
-C--- last good character
-C
- IBS = NC
-160 CONTINUE
- NC = NC + 1
- IF (NC .GT. IE) GO TO 180
- IF (STRING(NC:NC) .EQ. ' ')THEN
- OKINCR = .FALSE.
- ELSEIF (STRING(NC:NC) .EQ. ',')THEN
- OKINCR = .TRUE.
- ELSE
- GO TO 160
- ENDIF
-C
-C--- end of substring found - read value into real array
-C
-180 CONTINUE
- NFOUND = NFOUND + 1
- IF (NFOUND .GT. NEXP) THEN
- IERR = 3
- GO TO 500
- ENDIF
-C
- DATA FMT/ ' (E1.0)', ' (E2.0)', ' (E3.0)', ' (E4.0)',
- 1 ' (E5.0)', ' (E6.0)', ' (E7.0)', ' (E8.0)', ' (E9.0)',
- 2 '(E10.0)', '(E11.0)', '(E12.0)', '(E13.0)', '(E14.0)',
- 3 '(E15.0)', '(E16.0)', '(E17.0)', '(E18.0)', '(E19.0)',
- 4 '(E20.0)', '(E21.0)', '(E22.0)'/
- IES = NC - 1
- NCH = IES - IBS + 1
- ITEMP = ' '
- ITEMP = STRING(IBS:IES)
- READ (ITEMP(1:NCH), FMT(NCH), ERR = 400) RVAL(NFOUND)
- GO TO 450
-400 CONTINUE
- WRITE (LOUT, 555) STRING(IBS:IES)
- 555 FORMAT (A)
- IERR = 1
- GO TO 510
-450 CONTINUE
- NC = NC + 1
- IF (NC .LE. IE) GO TO 100
-C
-500 CONTINUE
- IF (NEXPEC .GT. 0 .AND. NFOUND .LT. NEXP) IERR = 2
-510 CONTINUE
-C
- IF (IERR .EQ. 0 .OR. ICARD .LT. 0) RETURN
- IF (ICARD .NE. 0) WRITE (LOUT, '(A,I3)')
- 1 '!! ERROR IN DATA STATEMENT NUMBER', ICARD
- IF (IERR .EQ. 1)
- 1 WRITE (LOUT, '(A)')'SYNTAX ERROR, OR ILLEGAL VALUE'
- IF (IERR .EQ. 2) WRITE (LOUT, '(A,I2, A, I2)')
- 1 ' TOO FEW DATA ITEMS. NUMBER FOUND = ' , NFOUND,
- 2 ' NUMBER EXPECTED = ', NEXPEC
- IF (IERR .EQ. 3) WRITE (LOUT, '(A,I2)')
- 1 ' TOO MANY DATA ITEMS. NUMBER EXPECTED = ', NEXPEC
- END
-C
- FUNCTION IFIRCH(STRING)
-C BEGIN PROLOGUE IFIRCH
-C DATE WRITTEN 850626
-C REVISION DATE 850626
-C CATEGORY NO. M4.
-C KEYWORDS CHARACTER STRINGS,SIGNIFICANT CHARACTERS
-C AUTHOR CLARK,G.L.,GROUP C-3 LOS ALAMOS NAT'L LAB
-C PURPOSE Determines first significant (non-blank) character
-C in character variable
-C DESCRIPTION
-C
-C-----------------------------------------------------------------------
-C IFIRCH locates the first non-blank character in a string of
-C arbitrary length. If no characters are found, IFIRCH is set = 0.
-C When used with the companion routine ILASCH, the length of a string
-C can be determined, and/or a concatenated substring containing the
-C significant characters produced.
-C-----------------------------------------------------------------------
-C
-C REFERENCES (NONE)
-C ROUTINES CALLED (NONE)
-C END PROLOGUE IFIRCH
-C*****precision > double
- IMPLICIT DOUBLE PRECISION (A-H,O-Z), INTEGER (I-N)
-C*****END precision > double
-C
-C*****precision > single
-C IMPLICIT REAL (A-H,O-Z), INTEGER (I-N)
-C*****END precision > single
-C
- CHARACTER* (*)STRING
-C
-C FIRST EXECUTABLE STATEMENT IFIRCH
- NLOOP = LEN(STRING)
-C
- IF (NLOOP .EQ. 0) THEN
- IFIRCH = 0
- RETURN
- ENDIF
-C
- DO 100 I = 1, NLOOP
- IF (STRING(I:I) .NE. ' ') GO TO 120
-100 CONTINUE
-C
- IFIRCH = 0
- RETURN
-120 CONTINUE
- IFIRCH = I
- END
- FUNCTION ILASCH(STRING)
-C BEGIN PROLOGUE ILASCH
-C DATE WRITTEN 850626
-C REVISION DATE 850626
-C CATEGORY NO. M4.
-C KEYWORDS CHARACTER STRINGS,SIGNIFICANT CHARACTERS
-C AUTHOR CLARK,G.L.,GROUP C-3 LOS ALAMOS NAT'L LAB
-C PURPOSE Determines last significant (non-blank) character
-C in character variable
-C DESCRIPTION
-C
-C-----------------------------------------------------------------------
-C IFIRCH locates the last non-blank character in a string of
-C arbitrary length. If no characters are found, ILASCH is set = 0.
-C When used with the companion routine IFIRCH, the length of a string
-C can be determined, and/or a concatenated substring containing the
-C significant characters produced.
-C Note that the FORTRAN intrinsic function LEN returns the length
-C of a character string as declared, rather than as filled. The
-C declared length includes leading and trailing blanks, and thus is
-C not useful in generating 'significant' substrings.
-C-----------------------------------------------------------------------
-C
-C REFERENCES (NONE)
-C ROUTINES CALLED (NONE)
-C END PROLOGUE IFIRCH
-C*****precision > double
- IMPLICIT DOUBLE PRECISION (A-H,O-Z), INTEGER (I-N)
-C*****END precision > double
-C
-C*****precision > single
-C IMPLICIT REAL (A-H,O-Z), INTEGER (I-N)
-C*****END precision > single
-C
- CHARACTER*(*) STRING
-C
-C***FIRST EXECUTABLE STATEMENT ILASCH
- NLOOP = LEN(STRING)
- IF (NLOOP.EQ.0) THEN
- ILASCH = 0
- RETURN
- ENDIF
-C
- DO 100 I = NLOOP, 1, -1
- IF (STRING(I:I) .NE. ' ') GO TO 120
-100 CONTINUE
-C
-120 CONTINUE
- ILASCH = I
- END
-C----------------------------------------------------------------------C
-C
- SUBROUTINE CKCOMP (IST, IRAY, II, I)
-C
-C START PROLOGUE
-C
-C SUBROUTINE CKCOMP (IST, IRAY, II, I)*
-C Returns the index of an element of a reference character
-C string array which corresponds to a character string;
-C leading and trailing blanks are ignored.
-C
-C
-C INPUT
-C IST - A character string.
-C Data type - CHARACTER*(*)
-C IRAY - An array of character strings;
-C dimension IRAY(*) at least II
-C Data type - CHARACTER*(*)
-C II - The length of IRAY.
-C Data type - integer scalar.
-C
-C OUTPUT
-C I - The first integer location in IRAY in which IST
-C corresponds to IRAY(I); if IST is not also an
-C entry in IRAY, I=0.
-C
-C END PROLOGUE
-C
-C*****precision > double
- IMPLICIT DOUBLE PRECISION (A-H,O-Z), INTEGER (I-N)
-C*****END precision > double
-C*****precision > single
-C IMPLICIT REAL (A-H,O-Z), INTEGER (I-N)
-C*****END precision > single
-C
- CHARACTER*(*) IST, IRAY(*)
-C
- I = 0
- DO 10 N = II, 1, -1
- IS1 = IFIRCH(IST)
- IS2 = ILASCH(IST)
- IR1 = IFIRCH(IRAY(N))
- IR2 = ILASCH(IRAY(N))
- IF ( IS2.GE.IS1 .AND. IS2.GT.0 .AND.
- 1 IR2.GE.IR1 .AND. IR2.GT.0 .AND.
- 2 IST(IS1:IS2).EQ.IRAY(N)(IR1:IR2) ) I=N
- 10 CONTINUE
- RETURN
- END
-C
-C----------------------------------------------------------------------C
- SUBROUTINE CKUNIT (LINE, AUNITS, EUNITS, IUNITS)
-C
-C*****precision > double
- IMPLICIT DOUBLE PRECISION (A-H,O-Z), INTEGER (I-N)
-C*****END precision > double
-C*****precision > single
-C IMPLICIT REAL (A-H,O-Z), INTEGER (I-N)
-C*****END precision > single
- CHARACTER*(*) LINE, IUNITS, AUNITS, EUNITS
- CHARACTER*4 UPCASE
-C
- AUNITS = ' '
- EUNITS = ' '
- IUNITS = ' '
- LCHAR = ILASCH(LINE)
- DO 85 N = 1, ILASCH(LINE)-3
- IND = ILASCH(IUNITS)
- IF (EUNITS .EQ. ' ') THEN
- IF (UPCASE(LINE(N:), 4) .EQ. 'CAL/') THEN
- EUNITS = 'CAL/'
- IF (IUNITS .EQ. ' ') THEN
- IUNITS = 'E units cal/mole'
- ELSE
- IUNITS(IND:) = ', E units cal/mole'
- ENDIF
- ELSEIF (UPCASE(LINE(N:), 4) .EQ. 'KCAL') THEN
- EUNITS = 'KCAL'
- IF (IUNITS .EQ. ' ') THEN
- IUNITS = 'E units Kcal/mole'
- ELSE
- IUNITS(IND:) = ', E units Kcal/mole'
- ENDIF
- ELSEIF (UPCASE(LINE(N:), 4) .EQ. 'JOUL') THEN
- EUNITS = 'JOUL'
- IF (IUNITS .EQ. ' ') THEN
- IUNITS = 'E units Joules/mole'
- ELSE
- IUNITS(IND:) = ', E units Joules/mole'
- ENDIF
- ELSEIF (UPCASE(LINE(N:), 4) .EQ. 'KJOU') THEN
- EUNITS = 'KJOU'
- IF (IUNITS .EQ. ' ') THEN
- IUNITS = 'E units Kjoule/mole'
- ELSE
- IUNITS(IND:) = ', E units Kjoule/mole'
- ENDIF
- ELSEIF (UPCASE(LINE(N:), 4) .EQ. 'KELV') THEN
- EUNITS = 'KELV'
- IF (IUNITS .EQ. ' ') THEN
- IUNITS = 'E units Kelvins'
- ELSE
- IUNITS(IND:) = ', E units Kelvins'
- ENDIF
- ENDIF
- ENDIF
- IF (AUNITS .EQ. ' ') THEN
- IF (UPCASE(LINE(N:), 4) .EQ. 'MOLE') THEN
- IF (N+4.LE.ILASCH(LINE) .AND.
- 1 UPCASE(LINE(N+4:),1).EQ.'C') THEN
-C
- AUNITS = 'MOLC'
- IF (IUNITS .EQ. ' ') THEN
- IUNITS = 'A units molecules'
- ELSE
- IUNITS(IND:) = ', A units molecules'
- ENDIF
- ELSE
- AUNITS = 'MOLE'
- IF (IUNITS .EQ. ' ') THEN
- IUNITS = 'A units mole-cm-sec-K'
- ELSE
- IUNITS(IND:) = ', A units mole-cm-sec-K'
- ENDIF
- ENDIF
- ENDIF
- ENDIF
- 85 CONTINUE
-C
- IF (AUNITS .EQ. ' ') THEN
- AUNITS = 'MOLE'
- IND = ILASCH(IUNITS) + 1
- IF (IND .GT. 1) THEN
- IUNITS(IND:) = ', A units mole-cm-sec-K'
- ELSE
- IUNITS(IND:) = ' A units mole-cm-sec-K'
- ENDIF
- ENDIF
-C
- IF (EUNITS .EQ. ' ') THEN
- EUNITS = 'CAL/'
- IND = ILASCH(IUNITS) + 1
- IF (IND .GT. 1) THEN
- IUNITS(IND:) = ', E units cal/mole'
- ELSE
- IUNITS(IND:) = ' E units cal/mole'
- ENDIF
- ENDIF
-C
- RETURN
- END
-C
-C----------------------------------------------------------------------C
-C
- INTEGER FUNCTION IPPLEN (LINE)
-C
-C BEGIN PROLOGUE
-C
-C FUNCTION IPPLEN (LINE)
-C Returns the effective length of a character string, i.e.,
-C the index of the last character before an exclamation mark (!)
-C indicating a comment.
-C
-C INPUT
-C LINE - A character string.
-C
-C OUTPUT
-C IPPLEN - The effective length of the character string.
-C
-C END PROLOGUE
-C
-C*****precision > double
- IMPLICIT DOUBLE PRECISION (A-H,O-Z), INTEGER (I-N)
-C*****END precision > double
-C*****precision > single
-C IMPLICIT REAL (A-H,O-Z), INTEGER (I-N)
-C*****END precision > single
-C
- CHARACTER LINE*(*)
-C
- IN = IFIRCH(LINE)
- IF (IN.EQ.0 .OR. LINE(IN:IN).EQ.'!') THEN
- IPPLEN = 0
- ELSE
- IN = INDEX(LINE,'!')
- IF (IN .EQ. 0) THEN
- IPPLEN = ILASCH(LINE)
- ELSE
- IPPLEN = ILASCH(LINE(:IN-1))
- ENDIF
- ENDIF
- RETURN
- END
-C
- CHARACTER*(*) FUNCTION UPCASE(ISTR, ILEN)
- CHARACTER ISTR*(*), LCASE(26)*1, UCASE(26)*1
- DATA LCASE /'a','b','c','d','e','f','g','h','i','j','k','l','m',
- 1 'n','o','p','q','r','s','t','u','v','w','x','y','z'/,
- 2 UCASE /'A','B','C','D','E','F','G','H','I','J','K','L','M',
- 3 'N','O','P','Q','R','S','T','U','V','W','X','Y','Z'/
-C
- UPCASE = ' '
- UPCASE = ISTR(:ILEN)
- JJ = MIN (LEN(UPCASE), LEN(ISTR), ILEN)
- DO 10 J = 1, JJ
- DO 10 N = 1,26
- IF (ISTR(J:J) .EQ. LCASE(N)) UPCASE(J:J) = UCASE(N)
- 10 CONTINUE
- RETURN
- END
diff --git a/applications/test/readCHEMKINIII/CHEMKINdata/test.inp b/applications/test/readCHEMKINIII/CHEMKINdata/test.inp
deleted file mode 100644
index e61e472..0000000
--- a/applications/test/readCHEMKINIII/CHEMKINdata/test.inp
+++ /dev/null
@@ -1,128 +0,0 @@
-ELEMENTS
- H O SI
-END
-SPECIES
-H2 O2 OH H H2O O H2O2 HO2
-SIH4 SIH3 SIH2 SIH SIO SIO2 HSIO SIH2O SIH3O SIH3O2+ SIH4O2
-N2
-END
-THERMO
-SIH3O SI 1.H 3.O 1. G 300.000 5000.000 1
- 0.37707966E+01 0.78711497E-02-0.26563839E-05 0.39444314E-09-0.21126164E-13 2
--0.13296131E+04 0.59295750E+01 0.21062040E+01 0.72165951E-02 0.53384720E-05 3
--0.73776363E-08 0.20756105E-11-0.47884505E+03 0.16152177E+02 4
-SIH3O2+ SI 1.H 3.O 2. N 0. G 300.000 5000.000 1
- 0.66812963E+01 0.80057271E-02-0.27188507E-05 0.40631365E-09-0.21927725E-13 2
--0.42105544E+04-0.99423847E+01 0.20986490E+01 0.15786357E-01 0.75683261E-05 3
--0.11274587E-07 0.56665133E-11-0.26671854E+04 0.15007068E+02 4
-SIH4O2 SI 1.H 4.O 2. N 0. G 300.000 5000.000 1
- 0.66812963E+01 0.80057271E-02-0.27188507E-05 0.40631365E-09-0.21927725E-13 2
--0.42105544E+04-0.99423847E+01 0.20986490E+01 0.15786357E-01 0.75683261E-05 3
--0.11274587E-07 0.56665133E-11-0.26671854E+04 0.15007068E+02 4
-SIH2O SI 1.H 2.O 1. N 0. G 300.000 5000.000 1
- 0.32939910E+01 0.59522360E-02-0.21083880E-05 0.33459980E-09-0.19750180E-13 2
--0.13283760E+04 0.70293210E+01 0.32032740E+01 0.44987760E-02-0.45214720E-05 3
- 0.10444300E-07-0.61720710E-11-0.12958860E+05 0.84842740E+01 4
-HSIO SI 1.H 1.O 1. N 0. G 300.000 5000.000 1
- 0.34714290E+01 0.31057530E-02-0.11005030E-05 0.17477250E-09-0.10263730E-13 2
- 0.30103527E+04 0.79153820E+01 0.30781400E+01 0.10178940E-01-0.31701710E-04 3
- 0.43635320E-08-0.19549500E-10 0.31101614E+04 0.92575020E+01 4
-SIO SI 1.H 0.O 1. N 0. G 300.000 5000.000 1
- 3.74788350E+00 8.19919430E-04-3.25253960E-07 5.73249620E-11-3.51089440E-15 2
--1.33174300E+04 3.66100339E+00 3.25282760E+00 4.18231260E-04 3.78062020E-06 3
--5.10244830E-09 1.94713170E-12-1.30903400E+04 6.66174329E+00 4
-SIO2 SI 1.H 0.O 2. N 0. S 300.000 5000.000 1
- 0.63467463E+01 0.21952215E-02 0.0 0.0 0.0 2
--0.11154241E+06-0.32060643E+02 0.63467463E+01 0.21952215E-02 0.0 3
- 0.0 0.0 -0.11154241E+06-0.32060643E+02 4
-END
-REACTIONS
- H2 + O2 = OH+OH 1.170E+09 0 0
- H2 + OH = H2O + H 1.170E+09 0 0
- O + OH = O2 + H 5.000E+14 -0.50 0.
-!H + O2 = O + OH 1.940E+14 0.00 16440.
- O + H2 = OH + H 5.060E+04 2.67 6290.
- H + O2 + M = HO2 + M 2.800E+19 -1.25 0.
- H2/2.5/ H2O/12.5/
-!OH + HO2 = H2O + O2 7.500E+12 0.00 0.
- OH + HO2 = H2O + O2 7.890E+13 0.00 -497.
-!H + HO2 = OH + OH 1.400E+14 0.00 1073.
- H + HO2 = OH + OH 1.690E+14 0.00 874.
- O + HO2 = O2 + OH 2.400E+13 0.00 1073. ! 1.4
- OH + OH = O + H2O 6.000E+08 1.30 0.
- H + H + M = H2 + M 1.000E+18 -1.00 0.
- H2/0.0/ H2O/0./
- H + H + H2 = H2 + H2 9.200E+16 -0.60 0.
- H + H + H2O = H2 + H2O 6.000E+19 -1.25 0.
- H + OH + M = H2O + M 1.600E+22 -2.00 0.
- H + O + M = OH + M 6.200E+16 -0.60 0.
- O + O + M = O2 + M 1.890E+13 0.00 -1788.
-!H + HO2 = H2 + O2 1.250E+13 0.00 0.
- H + HO2 = H2 + O2 6.280E+13 0.00 1411.
-!HO2 + HO2 = H2O2 + O2 2.000E+12 0.00 0.
- HO2 + HO2 = H2O2 + O2 4.200E+14 0.00 12000.
-DUPLICATE
- HO2 + HO2 = H2O2 + O2 1.300E+11 0.00 -1640.
-DUPLICATE
- H2O2 + M = OH + OH + M 6.300E+17 0.00 45500.
- H2O2 + H = HO2 + H2 1.600E+12 0.00 3800.
- H2O2 + OH = H2O + HO2 1.300E+11 0.00 -1630.
-DUPLICATE
- H2O2 + OH = H2O + HO2 5.800E+14 0.00 9560.
-DUPLICATE
- H + HO2 = O + H2O 3.100E+10 0.00 3590.
- O + OH + M = HO2 + M 1.000E+16 0.00 0.
- H2O2 + H = H2O + OH 1.000E+13 0.00 3590.
- H2O2 + O = H2O + O2 8.400E+11 0.00 4260.
- H2O2 + O = OH + HO2 2.000E+13 0.00 5900.
- H2 + HO2 = H2O + OH 2.100E+13 0.00 18800.
- SIH4 = SIH2 + H2 1.000E+13 0.00 52700.
- SIH2 + O2 = HSIO + OH 3.200E+14 0.00 8000.
- SIH2 + H2O = SIH2O + H2 3.000E+12 0.00 11400.
- SIH4 + O2 = SIH3 + HO2 4.000E+13 0.00 42800.
- SIH4 + H = SIH3 + H2 5.000E+12 0.00 2500.
- SIH4 + O = SIH3 + OH 4.200E+12 0.00 1600.
- SIH4 + OH = SIH3 + H2O 9.400E+12 0.00 100.
- SIH4 + HO2 = SIH3 + H2O2 2.000E+12 0.00 10000.
- SIH4 + SIH3O2+ = SIH3 + SIH4O2 1.100E+13 0.00 18500.
- SIH3 + O2 = SIH3O2+ 2.000E+15 0.00 1200.
- SIH3O2+ = SIH3O + O 2.000E+13 0.00 34000. ! 5.e12
- SIH3O2+ = SIH2O + OH 3.000E+12 0.00 4000.
- SIH3O2+ + HO2 = SIH4O2 + O2 3.000E+11 0.00 0.
- SIH4O2 + H = SIH3O2+ + H2 4.800E+13 0.00 7950.
- SIH4O2 = SIH3O + OH 6.500E+14 0.0 48700.
- SIH3 + O2 = SIH3O + O 1.000E+13 0.00 0. ! 2
- SIH3O + O2 = SIH2O + HO2 2.000E+13 0.00 0.
- SIH3 + H = SIH2 + H2 2.000E+13 0.00 0.
- SIH3 + O = SIH2O + H 2.000E+13 0.00 0.
- SIH3 + OH = SIH2O + H2 6.000E+12 0.00 0.
- SIH3 + HO2 = SIH2 + H2O2 2.000E+13 0.00 0.
- SIH3 + SIH3 = SIH2 + SIH4 2.000E+12 0.00 0.
- SIH2O + O2 = HSIO + HO2 4.000E+14 0.00 35000.
- SIH2O + M = HSIO + H + M 2.000E+15 0.00 84500.
- SIH2O + H = HSIO + H2 5.300E+14 0.00 10500.
- SIH2O + O = HSIO + OH 1.800E+13 0.00 3080.
- SIH2O + OH = HSIO + H2O 7.500E+12 0.00 170.
- SIH2O + HO2 = HSIO + H2O2 1.000E+13 0.00 12000.
- HSIO + M = H + SIO + M 5.000E+14 0.00 29000.
- HSIO + O2 = SIO + HO2 3.000E+13 0.0 0.0
- HSIO + H = SIO + H2 2.000E+14 0.00 0.
- REV /1 2 3/
- LT /1 2/
- RLT /3 4/
- HSIO + O = SIO + OH 1.000E+14 0.00 0.
- FIT1 /1 2 3 4/
- HSIO + OH = SIO + H2O 1.000E+14 0.00 0.
- HSIO + HO2 = SIO + H2O2 1.000E+14 0.00 0.
- SIO + OH (+H) = SIO2 + H (+H) 4.000E+12 0.00 5700.
- LOW /1 2 3/
- TROE /1 2 3 4/
- SIO + HO2 = SIO2 + OH 1.000E+12 0.00 0.
- LT /1.0 3.0/
- SIO + O + M = SIO2 + M 0.0E+13 0.0 0.0
- UNITS /KCAL/
- SIO + O2 = SIO2 + O 4.000E+13 0 1
- RORD /SIO2 3/
- FORD /O2 4/
- REV /1 2 3/
-END
diff --git a/applications/test/readCHEMKINIII/CHEMKINdata/therm.dat b/applications/test/readCHEMKINIII/CHEMKINdata/therm.dat
deleted file mode 100644
index 96aa775..0000000
--- a/applications/test/readCHEMKINIII/CHEMKINdata/therm.dat
+++ /dev/null
@@ -1,2979 +0,0 @@
-THERMO ALL
- 300.000 1000.000 5000.000
-(CH2O)3 70590C 3H 6O 3 G 0300.00 4000.00 1500.00 1
- 0.01913678E+03 0.08578044E-01-0.08882060E-05-0.03574819E-08 0.06605143E-12 2
--0.06560876E+06-0.08432507E+03-0.04662286E+02 0.06091547E+00-0.04710536E-03 3
- 0.01968843E-06-0.03563271E-10-0.05665404E+06 0.04525265E+03 4
-(CH3)2SICH2 61991H 8C 3SI 1 G 0300.00 2500.00 1500.00 1
- 0.01547852E+03 0.01065700E+00-0.01234345E-05-0.01293352E-07 0.02528715E-11 2
--0.06693076E+04-0.05358884E+03 0.02027522E+02 0.04408673E+00-0.03370024E-03 3
- 0.01484466E-06-0.02830898E-10 0.03931454E+05 0.01815821E+03 4
-AL 62987AL 1 G 0300.00 5000.00 0600.00 1
- 0.02559589E+02-0.01063224E-02 0.07202828E-06-0.02121105E-09 0.02289429E-13 2
- 0.03890214E+06 0.05234522E+02 0.02736825E+02-0.05912374E-02-0.04033938E-05 3
- 0.02322343E-07-0.01705599E-10 0.03886795E+06 0.04363880E+02 4
-AL2H6 62987AL 2H 6 G 0300.00 1500.00 0600.00 1
- 0.02634884E+02 0.02135952E+00 0.03154151E-05-0.07684674E-07 0.02335832E-10 2
- 0.08871346E+05 0.09827515E+02-0.06800681E+02 0.05080744E+00 0.01039747E-03 3
--0.01119582E-05 0.08459155E-09 0.01060537E+06 0.05554526E+03 4
-AL2ME6 62987AL 2C 6H 18 G 0300.00 1500.00 0600.00 1
- 0.01773147E+03 0.04935747E+00 0.01196854E-04-0.01639826E-06 0.04890867E-10 2
--0.03855560E+06-0.05053298E+03-0.07159750E+01 0.01067109E+01 0.02117605E-03 3
--0.02193212E-05 0.01644144E-08-0.03515546E+06 0.03890763E+03 4
-ALAS 62987AL 1AS 1 G 0300.00 1500.00 0600.00 1
- 0.04790027E+02-0.01908226E-03-0.01983390E-05 0.02239358E-08-0.06904706E-12 2
- 0.05259290E+06 0.03259703E+02 0.05047764E+02-0.06419947E-02-0.01432071E-04 3
- 0.04754391E-07-0.03297621E-10 0.05254264E+06 0.01985206E+02 4
-ALH 62987AL 1H 1 G 0300.00 5000.00 1000.00 1
- 0.03392644E+02 0.01215399E-01-0.04676595E-05 0.08691625E-09-0.06022669E-13 2
- 0.03006845E+06 0.02758899E+02 0.03071503E+02 0.02165549E-01-0.03275638E-04 3
- 0.04136984E-07-0.01877121E-10 0.03021221E+06 0.04548855E+02 4
-ALH2 62987AL 1H 2 G 0300.00 1500.00 0600.00 1
- 0.04486543E+02 0.03128832E-01-0.01969438E-05-0.01016030E-07 0.03497468E-11 2
- 0.01960959E+06 0.08167897E+01 0.02442137E+02 0.09915913E-01 0.02471083E-05 3
--0.02119583E-06 0.01710234E-09 0.01997588E+06 0.01065270E+03 4
-ALH3 62987AL 1H 3 G 0300.00 1500.00 0600.00 1
- 0.04186838E+02 0.06159249E-01-0.03877593E-06-0.02061928E-07 0.06600276E-11 2
- 0.07908079E+05 0.05134396E+01 0.01008323E+02 0.01640324E+00 0.01976746E-04 3
--0.03528558E-06 0.02753378E-09 0.08484656E+05 0.01585838E+03 4
-ALME 62987AL 1C 1H 3 G 0300.00 1500.00 0600.00 1
- 0.04662737E+02 0.07097939E-01 0.02520013E-05-0.02114863E-07 0.06097489E-11 2
- 0.08203228E+05 0.01769245E+02 0.02664176E+02 0.01324914E+00 0.02525848E-04 3
--0.02394396E-06 0.01761855E-09 0.08574173E+05 0.01147449E+03 4
-ALME2 62987AL 1C 2H 6 G 0300.00 1500.00 0600.00 1
- 0.06481282E+02 0.01474605E+00 0.05816529E-05-0.04621347E-07 0.01396041E-10 2
- 0.03745072E+05-0.02603326E+02 0.09494573E+01 0.03206354E+00 0.06134021E-04 3
--0.06500042E-06 0.04911485E-09 0.04761408E+05 0.02419465E+03 4
-ALME3 62987AL 1C 3H 9 G 0300.00 1500.00 0600.00 1
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- 0.01454311E+03 0.03772378E-01-0.05189301E-05-0.05141063E-09 0.01163076E-12 2
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- 0.02029502E-06-0.04357591E-10-0.01767234E+06 0.02414546E+03 4
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- 0.01161148E+03 0.05173117E-01-0.04856685E-05-0.02202895E-08 0.03913721E-12 2
--0.01248811E+06-0.03688213E+03 0.01415940E+02 0.02870648E+00-0.02373820E-03 3
- 0.01148886E-06-0.02391420E-10-0.08638718E+05 0.01844256E+03 4
-CH3CL 112989C 1H 3CL 1 G 0300.00 5000.00 1000.00 1
- 0.03633876E+02 0.08664625E-01-0.03343871E-04 0.05950130E-08-0.04001401E-12 2
--0.01177659E+06 0.04430651E+02 0.04621901E+01 0.02068247E+00-0.02553133E-03 3
- 0.02160311E-06-0.07706816E-10-0.01093667E+06 0.02032977E+03 4
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- 0.05612279E+02 0.08449886E-01-0.02854147E-04 0.04238376E-08-0.02268404E-12 2
--0.05187863E+05-0.03274949E+02 0.03125278E+02 0.09778220E-01 0.04521448E-04 3
--0.09009462E-07 0.03193718E-10-0.04108508E+05 0.01122885E+03 4
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- 0.03014978E+02 0.09314397E-01-0.03611697E-04 0.06443728E-08-0.04339594E-12 2
--0.02977838E+06 0.06323815E+02 0.02600911E+01 0.02000788E+00-0.02662585E-03 3
- 0.02561177E-06-0.09935237E-10-0.02896233E+06 0.02031799E+03 4
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- 0.05868650E+02 0.01079424E+00-0.03645530E-04 0.05412912E-08-0.02896844E-12 2
--0.02264569E+06-0.06012946E+02 0.02505695E+02 0.01336991E+00 0.04671953E-04 3
--0.01128140E-06 0.04263566E-10-0.02124589E+06 0.01335089E+03 4
-CH3NO 103190C 1H 3N 1O 1G 0300.00 4000.00 1500.00 1
- 0.08820547E+02 0.03706233E-01-0.02894741E-05-0.01897910E-08 0.03237544E-12 2
- 0.05362862E+05-0.02213220E+03 0.02109955E+02 0.01517822E+00-0.07071789E-04 3
- 0.01510611E-07-0.01604204E-11 0.08293612E+05 0.01569702E+03 4
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- 0.01090158E+03 0.04326381E-01-0.04203548E-05-0.01893071E-08 0.03417444E-12 2
--0.01370862E+06-0.03073183E+03 0.03224717E+01 0.02665147E+00-0.01930574E-03 3
- 0.07762620E-07-0.01398746E-10-0.09597527E+05 0.02726156E+03 4
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- 0.03770800E+02 0.07871497E-01-0.02656384E-04 0.03944431E-08-0.02112616E-12 2
- 0.01278325E+04 0.02929575E+02 0.02106204E+02 0.07216595E-01 0.05338472E-04 3
--0.07377636E-07 0.02075611E-10 0.09786011E+04 0.01315218E+03 4
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- 0.01228100E+03 0.06711031E-01-0.04726871E-05-0.03636409E-08 0.06084545E-12 2
--0.02839743E+06-0.04434692E+03 0.01245246E+02 0.02381198E+00-0.08266949E-04 3
- 0.03068452E-08 0.01909248E-11-0.02335996E+06 0.01855817E+03 4
-CH3OCL 53090C 1H 3O 1CL 1G 0300.00 5000.00 1500.00 1
- 0.01022518E+03 0.02780047E-01-0.03331582E-05-0.05437858E-09 0.01012799E-12 2
--0.01172886E+06-0.02912014E+03 0.01575392E+02 0.02255642E+00-0.02052644E-03 3
- 0.01075312E-06-0.02371140E-10-0.08346834E+05 0.01804593E+03 4
-CH3OH 121686C 1H 4O 1 G 0300.00 5000.00 1000.00 1
- 0.04029061E+02 0.09376593E-01-0.03050254E-04 0.04358793E-08-0.02224723E-12 2
--0.02615791E+06 0.02378196E+02 0.02660115E+02 0.07341508E-01 0.07170051E-04 3
--0.08793194E-07 0.02390570E-10-0.02535348E+06 0.01123263E+03 4
-CH3ONO 103190C 1H 3N 1O 2G 0300.00 4000.00 1500.00 1
- 0.01136129E+03 0.04159349E-01-0.04145670E-05-0.01695140E-08 0.03028732E-12 2
--0.01281482E+06-0.03545435E+03 0.01490345E+02 0.02645433E+00-0.02112332E-03 3
- 0.09414399E-07-0.01811205E-10-0.09125782E+05 0.01813766E+03 4
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- 0.01436189E+03 0.04112243E-01-0.05113052E-05-0.01496436E-08 0.03012156E-12 2
--0.01972440E+06-0.05131842E+03 0.07803354E+01 0.03454204E+00-0.02822328E-03 3
- 0.01232324E-06-0.02302164E-10-0.01465346E+06 0.02245752E+03 4
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- 0.01001981E+03 0.03098227E-01-0.03223524E-05-0.01222654E-08 0.02254960E-12 2
--0.05427416E+05-0.02357211E+03 0.03485139E+02 0.01833182E+00-0.01573128E-03 3
- 0.07856310E-07-0.01670946E-10-0.02954042E+05 0.01186948E+03 4
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- 0.02302241E+03 0.08819047E-01-0.08859755E-05-0.03700889E-08 0.06746256E-12 2
--0.01577058E+06-0.09458104E+03 0.02492915E+02 0.05396367E+00-0.04281663E-03 3
- 0.01967585E-06-0.03981630E-10-0.07813141E+05 0.01758364E+03 4
-CH3SIH2SIH2CH3 61991H 10C 2SI 2 G 0300.00 2500.00 1500.00 1
- 0.01948332E+03 0.01195163E+00-0.02653155E-05-0.01489522E-07 0.03049901E-11 2
--0.01405639E+06-0.07368209E+03 0.03129493E+02 0.05016930E+00-0.03522061E-03 3
- 0.01354295E-06-0.02274339E-10-0.08303932E+05 0.01426819E+03 4
-CH3SIHCL2 10891C 1CL 2H 4SI 1G 0300.00 4000.00 1500.00 1
- 0.01459367E+03 0.04005638E-01-0.04816391E-05-0.01336359E-08 0.02648177E-12 2
--0.05325682E+06-0.04689839E+03 0.04156949E+02 0.02994072E+00-0.02797859E-03 3
- 0.01431829E-06-0.03010165E-10-0.04952345E+06 0.09043929E+02 4
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- 0.01683479E+02 0.01023724E+00-0.03875129E-04 0.06785585E-08-0.04503423E-12 2
--0.01008079E+06 0.09623395E+02 0.07787415E+01 0.01747668E+00-0.02783409E-03 3
- 0.03049708E-06-0.01223931E-09-0.09825229E+05 0.01372219E+03 4
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- 0.03216518E+02 0.05976969E-01-0.02918238E-04 0.05912801E-08-0.04297945E-12 2
- 0.03879839E+06 0.07793842E+02 0.02781263E+02 0.07805384E-01-0.01063711E-03 3
- 0.01065441E-06-0.03916797E-10 0.03916144E+06 0.01045515E+03 4
-CHCL2 40992H 1C 1CL 2 G 0300.00 4000.00 1500.00 1
- 0.06912875E+02 0.01251733E-01-0.01973086E-05-0.02153722E-09 0.05853635E-13 2
- 0.07229632E+05-0.07968135E+02 0.02809820E+02 0.01295936E+00-0.01392392E-03 3
- 0.07533319E-07-0.01588448E-10 0.08515305E+05 0.01343798E+03 4
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- 0.01530640E+03 0.02140772E-01-0.04619954E-05 0.08299157E-10 0.05236928E-13 2
--0.01524306E+05-0.04358303E+03 0.04207169E+02 0.03437580E+00-0.03802411E-03 3
- 0.02026572E-06-0.04164115E-10 0.01811422E+05 0.01398021E+03 4
-CHCL2CCLO 40992H 1C 2 O 1CL 3G 0300.00 4000.00 1500.00 1
- 0.01488775E+03 0.02323698E-01-0.04365744E-05-0.01680889E-09 0.08613253E-13 2
--0.03483792E+06-0.04504932E+03 0.04593886E+02 0.03118954E+00-0.03338775E-03 3
- 0.01763042E-06-0.03630728E-10-0.03160866E+06 0.08756166E+02 4
-CHCL2CH2 53090C 2H 3CL 2 G 0300.00 5000.00 1500.00 1
- 0.01306632E+03 0.02964322E-01-0.04303601E-05-0.03173131E-09 0.08244908E-13 2
- 0.04594697E+05-0.03814765E+03 0.02234889E+02 0.03152885E+00-0.03307990E-03 3
- 0.01825221E-06-0.03994163E-10 0.08375531E+05 0.01944506E+03 4
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- 0.01445051E+03 0.02336553E-01-0.04132107E-05-0.05243785E-11 0.04204775E-13 2
--0.05183250E+04-0.04362699E+03 0.03789098E+02 0.03243338E+00-0.03598339E-03 3
- 0.01993302E-06-0.04287482E-10 0.02920910E+05 0.01221991E+03 4
-CHCL2CHCL2 53090C 2H 2CL 4 G 0300.00 5000.00 1500.00 1
- 0.01745859E+03 0.02484178E-01-0.05127803E-05 0.02266909E-09 0.02371932E-13 2
--0.02510699E+06-0.06065213E+03 0.02711746E+02 0.04441279E+00-0.04905962E-03 3
- 0.02632472E-06-0.05466293E-10-0.02052421E+06 0.01624857E+03 4
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- 0.01034980E+03 0.01690302E-01-0.03209168E-05-0.09502160E-10 0.05845725E-13 2
--0.01567029E+06-0.02558805E+03 0.02905633E+02 0.02315061E+00-0.02534675E-03 3
- 0.01356724E-06-0.02810882E-10-0.01339798E+06 0.01310749E+03 4
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- 0.01027647E+03 0.01733039E-01-0.03161161E-05-0.08153494E-10 0.05443014E-13 2
- 0.02418877E+06-0.02436862E+03 0.02625129E+02 0.02366908E+00-0.02583240E-03 3
- 0.01383374E-06-0.02870111E-10 0.02654214E+06 0.01545629E+03 4
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- 0.01412206E+03 0.02583764E-01-0.04576900E-05 0.05215675E-10 0.03521300E-13 2
--0.02752482E+06-0.04544297E+03 0.02020547E+02 0.03810981E+00-0.04280147E-03 3
- 0.02343806E-06-0.04934735E-10-0.02385982E+06 0.01729375E+03 4
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- 0.09924881E+02 0.01618108E-01-0.02995768E-05-0.09718417E-11 0.03296695E-13 2
- 0.02834312E+06-0.02704593E+03 0.01190122E+02 0.02432800E+00-0.02555965E-03 3
- 0.01375158E-06-0.02941848E-10 0.03138157E+06 0.01944186E+03 4
-CHCLCHCL 53090C 2H 2CL 2 G 0300.00 5000.00 1500.00 1
- 0.01163648E+03 0.02461981E-01-0.03900520E-05-0.01521677E-09 0.05853766E-13 2
--0.05593248E+05-0.03507354E+03 0.01054340E+02 0.03076645E+00-0.03252549E-03 3
- 0.01763454E-06-0.03774444E-10-0.02006846E+05 0.02094011E+03 4
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- 0.01285464E+03 0.03107712E-01-0.04837735E-05-0.02088657E-09 0.07393125E-13 2
--0.02505588E+06-0.04274804E+03-0.02073397E+01 0.03868022E+00-0.04104567E-03 3
- 0.02211252E-06-0.04680556E-10-0.02074261E+06 0.02608356E+03 4
-CHCLOH 53090C 1H 2O 1CL 1G 0300.00 5000.00 1500.00 1
- 0.09427376E+02 0.01722643E-01-0.02912707E-05-0.03765845E-10 0.03354461E-13 2
--0.01224575E+06-0.02330123E+03 0.01319372E+02 0.02406119E+00-0.02560105E-03 3
- 0.01356738E-06-0.02812530E-10-0.09640457E+05 0.01925640E+03 4
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- 0.01438435E+03 0.03552541E-01-0.05033147E-05-0.04051247E-09 0.01001172E-12 2
--0.01383899E+06-0.04819745E+03 0.01473757E+02 0.03764188E+00-0.03898776E-03 3
- 0.02112109E-06-0.04543830E-10-0.09395106E+05 0.02033823E+03 4
-CHCLOHCHCL 53090C 2H 3O 1CL 2G 0300.00 5000.00 1500.00 1
- 0.01567240E+03 0.02970040E-01-0.04827588E-05-0.01366600E-09 0.06500296E-13 2
--0.01896002E+06-0.05132923E+03 0.02626025E+02 0.03856175E+00-0.04091474E-03 3
- 0.02190241E-06-0.04603080E-10-0.01468188E+06 0.01735864E+03 4
-CHF 82489C 1H 1F 1 G 0300.00 5000.00 1000.00 1
- 0.04242812E+02 0.02066316E-01-0.06527951E-05 0.01388700E-08-0.01213336E-12 2
- 0.01355982E+06 0.01680197E+02 0.03029061E+02 0.04850873E-01-0.04971679E-04 3
- 0.05277968E-07-0.02403154E-10 0.01401435E+06 0.08324101E+02 4
-CHF3 82489C 1H 1F 3 G 0300.00 5000.00 1000.00 1
- 0.06834333E+02 0.06248731E-01-0.02575750E-04 0.04809112E-08-0.03352074E-12 2
--0.08663771E+06-0.01062741E+03 0.08725142E+01 0.02308432E+00-0.02123718E-03 3
- 0.01114428E-06-0.02909229E-10-0.08496391E+06 0.02021499E+03 4
-CHOHCLCCL2 53090C 2H 2O 1CL 3G 0300.00 5000.00 1500.00 1
- 0.01681824E+03 0.02450153E-01-0.04706624E-05 0.01313263E-09 0.03046283E-13 2
--0.02253368E+06-0.05396958E+03 0.04216444E+02 0.03898554E+00-0.04360467E-03 3
- 0.02374677E-06-0.04984764E-10-0.01867017E+06 0.01152520E+03 4
-CHSICL 40992H 1C 1SI 1CL 1G 0300.00 4000.00 1500.00 1
- 0.08205361E+02 0.01092172E-01-0.02021812E-05-0.04611367E-10 0.03306854E-13 2
- 0.04201323E+06-0.01240589E+03 0.04575767E+02 0.01266147E+00-0.01507699E-03 3
- 0.08704482E-07-0.01902710E-10 0.04304864E+06 0.06132926E+02 4
-CHSICL2 40992H 1C 1SI 1CL 2G 0300.00 4000.00 1500.00 1
- 0.01071823E+03 0.01148355E-01-0.02625783E-05 0.01567972E-09 0.01085455E-13 2
- 0.01124882E+06-0.02053734E+03 0.05945817E+02 0.01709681E+00-0.02135360E-03 3
- 0.01252863E-06-0.02749860E-10 0.01253413E+06 0.03573691E+02 4
-CHSICL3 40992H 1C 1SI 1CL 3G 0300.00 4000.00 1500.00 1
- 0.01359698E+03 0.01283679E-01-0.03320724E-05 0.03292615E-09-0.05463635E-14 2
--0.02236189E+06-0.03349768E+03 0.07368467E+02 0.02227384E+00-0.02809218E-03 3
- 0.01644147E-06-0.03590729E-10-0.02071740E+06-0.02118077E+02 4
-CHSIH2CL 40992H 3C 1SI 1CL 1G 0300.00 4000.00 1500.00 1
- 0.01142815E+03 0.02475732E-01-0.03864817E-05-0.04667547E-09 0.01222497E-12 2
- 0.02085332E+06-0.03033129E+03 0.02869509E+02 0.02622702E+00-0.02794178E-03 3
- 0.01516891E-06-0.03231519E-10 0.02364000E+06 0.01462055E+03 4
-CHSIHCL 40992H 2C 1SI 1CL 1G 0300.00 4000.00 1500.00 1
- 0.09716450E+02 0.01691882E-01-0.02846288E-05-0.02130090E-09 0.06948758E-13 2
- 0.03056780E+06-0.02079822E+03 0.04045980E+02 0.01850072E+00-0.02095734E-03 3
- 0.01185107E-06-0.02580401E-10 0.03232392E+06 0.08632908E+02 4
-CHSIHCL2 40992H 2C 1SI 1CL 2G 0300.00 4000.00 1500.00 1
- 0.01246646E+03 0.01911555E-01-0.03687550E-05-0.05466318E-10 0.05749803E-13 2
--0.09679288E+04-0.03163481E+03 0.04853917E+02 0.02509790E+00-0.02916486E-03 3
- 0.01649649E-06-0.03563598E-10 0.01297543E+05 0.07606296E+02 4
-CL 42189CL 1 G 0300.00 5000.00 1000.00 1
- 0.02920237E+02-0.03597985E-02 0.01294294E-05-0.02162776E-09 0.01376517E-13 2
- 0.01371338E+06 0.03262690E+02 0.02381577E+02 0.08891079E-02 0.04070476E-05 3
--0.02168943E-07 0.01160827E-10 0.01383999E+06 0.06021818E+02 4
-CL(CH3)SICH2 40992H 5C 2SI 1CL 1G 0300.00 4000.00 1500.00 1
- 0.01496923E+03 0.05605854E-01-0.06191278E-05-0.02134591E-08 0.03977673E-12 2
--0.01304066E+06-0.05036296E+03 0.02980753E+02 0.03627511E+00-0.03428566E-03 3
- 0.01799146E-06-0.03853029E-10-0.08814405E+05 0.01362870E+03 4
-CL2 42189CL 2 G 0300.00 5000.00 1000.00 1
- 0.04274587E+02 0.03717337E-02-0.01893490E-05 0.05337465E-09-0.05057602E-13 2
--0.01331149E+05 0.02256947E+02 0.03439587E+02 0.02870774E-01-0.02385871E-04 3
- 0.02892918E-08 0.02915057E-11-0.01131787E+05 0.06471359E+02 4
-CL2CCCL2 40992C 2CL 4 G 0300.00 4000.00 1500.00 1
- 0.01440000E+03 0.01269397E-01-0.03525286E-05 0.04493620E-09-0.02348053E-13 2
--0.08039017E+05-0.04321878E+03 0.05557831E+02 0.02778255E+00-0.03176769E-03 3
- 0.01706054E-06-0.03492940E-10-0.05495042E+05 0.02293508E+02 4
-CL2CCHCL 40992H 1C 2CL 3 G 0300.00 4000.00 1500.00 1
- 0.01278204E+03 0.02068630E-01-0.03764411E-05-0.09077792E-10 0.06116574E-13 2
--0.06934337E+05-0.03655991E+03 0.03457684E+02 0.02848717E+00-0.03070062E-03 3
- 0.01624951E-06-0.03341401E-10-0.04047205E+05 0.01206381E+03 4
-CL2CCHO 40992H 1C 2 O 1CL 2G 0300.00 4000.00 1500.00 1
- 0.01294627E+03 0.02168144E-01-0.04244587E-05-0.03590986E-09 0.01220303E-12 2
--0.01144361E+06-0.03783814E+03 0.03400952E+02 0.02760695E+00-0.02843245E-03 3
- 0.01470263E-06-0.03017427E-10-0.08287517E+05 0.01257321E+03 4
-CL2CHOH 53090C 1H 2O 1CL 2G 0300.00 5000.00 1500.00 1
- 0.01129114E+03 0.02286704E-01-0.03461513E-05-0.01814480E-09 0.05661342E-13 2
--0.03803060E+06-0.03079831E+03 0.02619078E+02 0.02601286E+00-0.02784252E-03 3
- 0.01528682E-06-0.03294008E-10-0.03513998E+06 0.01492462E+03 4
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- 0.08764773E+02 0.08919938E-02-0.02237590E-05 0.01486621E-09 0.09630870E-14 2
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- 0.01026215E+03 0.01316796E-01-0.02754008E-05 0.01630771E-09 0.06472563E-14 2
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- 0.01051838E+03 0.01499316E-01-0.02927670E-05 0.07898750E-10 0.01988433E-13 2
--0.06272394E+05-0.02634097E+03 0.02241202E+02 0.02456990E+00-0.02682371E-03 3
- 0.01443170E-06-0.03023080E-10-0.03624526E+05 0.01703508E+03 4
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- 0.01890988E+03 0.06245385E-01-0.06370532E-05-0.02508388E-08 0.04589637E-12 2
--0.06523166E+06-0.06829627E+03 0.05958770E+02 0.03632045E+00-0.03098078E-03 3
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- 0.01795078E+03 0.05155757E-01-0.06049094E-05-0.01717793E-08 0.03355529E-12 2
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- 0.01285090E+03 0.03239360E-01-0.03774509E-05-0.01111777E-08 0.02163712E-12 2
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- 0.01208526E+03 0.07759038E-02-0.02700075E-05 0.04346263E-09-0.02671642E-13 2
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- 0.01572988E+03 0.03373817E-01-0.04472970E-05-0.09359551E-09 0.01995442E-12 2
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- 0.01263015E+03 0.04310339E-02-0.02248369E-05 0.05573034E-09-0.05229996E-13 2
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- 0.09750194E+02 0.02974385E-01-0.03450482E-05-0.06010047E-09 0.01089784E-12 2
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- 0.01602072E+03 0.06121766E-01-0.05697358E-05-0.02685516E-08 0.04764446E-12 2
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- 0.02115100E+03 0.08018265E-01-0.07924248E-05-0.03295050E-08 0.05955233E-12 2
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- 0.03025078E+02 0.01442689E-01-0.05630828E-05 0.01018581E-08-0.06910952E-13 2
--0.01426835E+06 0.06108218E+02 0.03262452E+02 0.01511941E-01-0.03881755E-04 3
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--0.04896696E+06-0.09553959E+01 0.02275725E+02 0.09922072E-01-0.01040911E-03 3
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- 0.07822924E-07-0.01632113E-10 0.05839343E+06 0.06755654E+02 4
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- 0.01133022E+03 0.01200867E-01-0.03112842E-05 0.02565133E-09 0.05146234E-14 2
- 0.02764986E+06-0.02737920E+03 0.04205701E+02 0.02278870E+00-0.02653546E-03 3
- 0.01465130E-06-0.03083816E-10 0.02972624E+06 0.09294144E+02 4
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- 0.01065385E+03 0.05191287E-01-0.05816522E-05-0.02206912E-08 0.04101341E-12 2
- 0.02345063E+06-0.03469895E+03-0.01203076E+01 0.03225369E+00-0.02968723E-03 3
- 0.01527290E-06-0.03242500E-10 0.02728820E+06 0.02297042E+03 4
-H2CNCH2O 103190C 2H 4N 1O 1G 0300.00 4000.00 1500.00 1
- 0.01327652E+03 0.04830938E-01-0.04858949E-05-0.02009495E-08 0.03640181E-12 2
- 0.01624962E+06-0.04713094E+03-0.01978522E+01 0.03341279E+00-0.02432022E-03 3
- 0.09438643E-07-0.01604050E-10 0.02141154E+06 0.02658265E+03 4
-H2CNCHO 103190C 2H 3N 1O 1G 0300.00 4000.00 1500.00 1
- 0.01196792E+03 0.03915428E-01-0.03860933E-05-0.01696877E-08 0.03041050E-12 2
--0.05902236E+05-0.03958545E+03 0.01096066E+02 0.02577215E+00-0.01711630E-03 3
- 0.05880104E-07-0.08956774E-11-0.01612063E+05 0.02032528E+03 4
-H2CNH 41687C 1H 3N 1 G 0300.00 4000.00 1000.00 1
- 0.05221589E+02 0.04748526E-01-0.04179159E-05-0.02606612E-08 0.04703140E-12 2
- 0.08657219E+05-0.04500776E+02 0.02365879E+02 0.06780570E-01 0.02423000E-04 3
--0.06157824E-08-0.01615097E-10 0.09971141E+05 0.01230718E+03 4
-H2CNNHO 103190C 1H 3N 2O 1G 0300.00 4000.00 1500.00 1
- 0.01157754E+03 0.04489180E-01-0.05033233E-05-0.01651066E-08 0.03069139E-12 2
- 0.01986783E+06-0.03656958E+03 0.05954945E+01 0.03239559E+00-0.02993966E-03 3
- 0.01489054E-06-0.03022863E-10 0.02364485E+06 0.02192790E+03 4
-H2CNNO 103190C 1H 2N 2O 1G 0300.00 4000.00 1500.00 1
- 0.01016234E+03 0.03065936E-01-0.03082820E-05-0.01194424E-08 0.02169867E-12 2
- 0.02494088E+06-0.02762275E+03 0.02498334E+02 0.01993009E+00-0.01557879E-03 3
- 0.06838956E-07-0.01313250E-10 0.02786476E+06 0.01417025E+03 4
-H2CNNO2 41687H 2C 1N 2O 2G 0300.00 4000.00 1000.00 1
- 0.01140794E+03 0.04564542E-01-0.04600304E-05-0.02513539E-08 0.04782211E-12 2
- 0.01242142E+06-0.03165238E+03 0.03534317E+02 0.01811272E+00 0.02394018E-05 3
--0.01080024E-06 0.04222725E-10 0.01509006E+06 0.01131138E+03 4
-H2CNO 103190C 1H 2N 1O 1G 0300.00 4000.00 1500.00 1
- 0.08485639E+02 0.02633277E-01-0.03017498E-05-0.08341916E-09 0.01593977E-12 2
- 0.01716434E+06-0.02052156E+03 0.01045856E+02 0.02126494E+00-0.01962754E-03 3
- 0.09659592E-07-0.01941069E-10 0.01974611E+06 0.01919718E+03 4
-H2CNO2 103190C 1H 2N 1O 2G 0300.00 4000.00 1500.00 1
- 0.01127481E+03 0.02584711E-01-0.03934331E-05-0.05614969E-09 0.01392400E-12 2
- 0.01360470E+06-0.03461951E+03 0.01165696E+02 0.02890490E+00-0.02817663E-03 3
- 0.01387569E-06-0.02727595E-10 0.01694546E+06 0.01888293E+03 4
-H2CONO 103190C 1H 2N 1O 2G 0300.00 4000.00 1500.00 1
- 0.01075754E+03 0.02983288E-01-0.04123564E-05-0.08096724E-09 0.01720195E-12 2
- 0.01230253E+06-0.02976009E+03 0.02120026E+02 0.02709056E+00-0.02799616E-03 3
- 0.01479145E-06-0.03074997E-10 0.01504327E+06 0.01546092E+03 4
-H2GAET 62987GA 1C 2H 7 G 0300.00 1500.00 0600.00 1
- 0.07187273E+02 0.01867211E+00 0.06156157E-05-0.06027764E-07 0.01797524E-10 2
--0.04232757E+05-0.04686699E+02 0.04124020E+01 0.03972972E+00 0.07979140E-04 3
--0.08059234E-06 0.06040387E-09-0.02983932E+05 0.02816148E+03 4
-H2GAME 62987GA 1C 1H 5 G 0300.00 1500.00 0600.00 1
- 0.05831604E+02 0.01222872E+00 0.03033669E-05-0.03956941E-07 0.01225452E-10 2
- 0.05189255E+05-0.04446614E+02 0.05251130E+01 0.02904695E+00 0.04844148E-04 3
--0.06097646E-06 0.04672763E-09 0.06158712E+05 0.02122149E+03 4
-H2NF 42489H 2N 1F 1 G 0300.00 3000.00 1000.00 1
- 0.04143658E+02 0.03805135E-01-0.02771153E-05-0.03589717E-08 0.07589549E-12 2
--0.04891486E+05 0.02309362E+02 0.02597863E+02 0.05882104E-01 0.04938351E-05 3
--0.01948600E-07 0.03634003E-11-0.04301253E+05 0.01098289E+03 4
-H2NNO 103190H 2N 2O 1 G 0300.00 4000.00 1500.00 1
- 0.07759737E+02 0.03025701E-01-0.02888916E-05-0.01262990E-08 0.02195026E-12 2
- 0.05894193E+05-0.01647713E+03 0.02088916E+02 0.01684997E+00-0.01428977E-03 3
- 0.06830147E-07-0.01368985E-10 0.07907340E+05 0.01394381E+03 4
-H2NO 102290H 2N 1O 1 G 0300.00 4000.00 1500.00 1
- 0.05673346E+02 0.02298837E-01-0.01774446E-05-0.01103482E-08 0.01859762E-12 2
- 0.05569325E+05-0.06153540E+02 0.02530590E+02 0.08596035E-01-0.05471030E-04 3
- 0.02276249E-07-0.04648073E-11 0.06868030E+05 0.01126651E+03 4
-H2NOH 103190H 3N 1O 1 G 0300.00 4000.00 1500.00 1
- 0.06764633E+02 0.03047036E-01-0.02777798E-05-0.01250487E-08 0.02191094E-12 2
--0.09026701E+05-0.01269845E+03 0.01407003E+02 0.01658498E+00-0.01463594E-03 3
- 0.07318354E-07-0.01511897E-10-0.07158596E+05 0.01589649E+03 4
-H2O 20387H 2O 1 G 0300.00 5000.00 1000.00 1
- 0.02672146E+02 0.03056293E-01-0.08730260E-05 0.01200996E-08-0.06391618E-13 2
--0.02989921E+06 0.06862817E+02 0.03386842E+02 0.03474982E-01-0.06354696E-04 3
- 0.06968581E-07-0.02506588E-10-0.03020811E+06 0.02590233E+02 4
-H2O(L) 120186H 2O 1 L 0273.15 1000.00 1000.00 1
- 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2
- 0.00000000E+00 0.00000000E+00 0.01271278E+03-0.01766279E+00-0.02255666E-03 3
- 0.02082091E-05-0.02407861E-08-0.03748320E+06-0.05911535E+03 4
-H2O(S) 120186H 2O 1 S 0200.00 0273.15 0273.15 1
- 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2
- 0.00000000E+00 0.00000000E+00-0.03926933E+00 0.01692042E+00 0.00000000E+00 3
- 0.00000000E+00 0.00000000E+00-0.03594958E+06 0.05693378E+01 4
-H2O2 120186H 2O 2 G 0300.00 5000.00 1000.00 1
- 0.04573167E+02 0.04336136E-01-0.01474689E-04 0.02348904E-08-0.01431654E-12 2
--0.01800696E+06 0.05011370E+01 0.03388754E+02 0.06569226E-01-0.01485013E-05 3
--0.04625806E-07 0.02471515E-10-0.01766315E+06 0.06785363E+02 4
-H2S 121286H 2S 1 G 0300.00 5000.00 1000.00 1
- 0.02883147E+02 0.03827835E-01-0.01423398E-04 0.02497999E-08-0.01660273E-12 2
--0.03480743E+05 0.07258162E+02 0.03071029E+02 0.05578261E-01-0.01030967E-03 3
- 0.01201953E-06-0.04838370E-10-0.03559826E+05 0.05935226E+02 4
-H2SI(CH3)2 61991H 8C 2SI 1 G 0300.00 2500.00 1500.00 1
- 0.01362000E+03 0.01024457E+00-0.01528107E-05-0.01329179E-07 0.02717974E-11 2
--0.01781386E+06-0.04695844E+03 0.02005893E+02 0.03638380E+00-0.02273374E-03 3
- 0.07691266E-07-0.01156681E-10-0.01364280E+06 0.01583265E+03 4
-H2SI(CH3)CH2 61991H 7C 2SI 1 G 0300.00 2500.00 1500.00 1
- 0.01388829E+03 0.07937538E-01-0.01559644E-05-0.09324826E-08 0.01847251E-11 2
- 0.06767195E+05-0.04464997E+03 0.01980449E+02 0.03727036E+00-0.02944759E-03 3
- 0.01312558E-06-0.02507859E-10 0.01087973E+06 0.01898102E+03 4
-H2SI(NH2)2 22790SI 1H 6N 2 G 0300.00 4000.00 1000.00 1
- 0.01302179E+03 0.06465444E-01-0.05816746E-05-0.03484493E-08 0.06340675E-12 2
--0.02357071E+06-0.04132570E+03 0.05615307E+02 0.02079854E+00-0.09999530E-05 3
--0.01288525E-06 0.06091866E-10-0.02126283E+06-0.01615658E+02 4
-H2SIC 61991H 2C 1SI 1 G 0300.00 2500.00 1500.00 1
- 0.07319671E+02 0.01729952E-01-0.01346466E-05-0.01450487E-08 0.03000643E-12 2
- 0.08125478E+06-0.01320432E+03 0.02408167E+02 0.01437372E+00-0.01331203E-03 3
- 0.06387472E-07-0.01244523E-10 0.08289031E+06 0.01283748E+03 4
-H2SICCH 61991H 3C 2SI 1 G 0300.00 2500.00 1500.00 1
- 0.01091422E+03 0.03001577E-01-0.01622344E-05-0.02466767E-08 0.04595260E-12 2
- 0.04137118E+06-0.03153165E+03 0.02952641E+02 0.02407857E+00-0.02313898E-03 3
- 0.01172227E-06-0.02393835E-10 0.04400800E+06 0.01054929E+03 4
-H2SICH 61991H 3C 1SI 1 G 0300.00 2500.00 1500.00 1
- 0.08489276E+02 0.02348812E-01-0.01091163E-05-0.02027972E-08 0.03759264E-12 2
- 0.04973382E+06-0.01845097E+03 0.03442743E+02 0.01542521E+00-0.01429096E-03 3
- 0.07252204E-07-0.01507009E-10 0.05145786E+06 0.08363421E+02 4
-H2SICH2 61991H 4C 1SI 1 G 0300.00 2500.00 1500.00 1
- 0.09303939E+02 0.04006038E-01-0.09702324E-06-0.03997739E-08 0.07350215E-12 2
- 0.01649066E+06-0.02623845E+03 0.01049782E+02 0.02562277E+00-0.02324392E-03 3
- 0.01142315E-06-0.02295441E-10 0.01922778E+06 0.01743860E+03 4
-H2SICH3 61991H 5C 1SI 1 G 0300.00 2500.00 1500.00 1
- 0.08991115E+02 0.06006339E-01-0.01118591E-05-0.07745983E-08 0.01594429E-11 2
- 0.01270233E+06-0.02218700E+03 0.02094419E+02 0.02127010E+00-0.01294390E-03 3
- 0.04156964E-07-0.05854213E-11 0.01520143E+06 0.01518517E+03 4
-H2SIN 22790H 2SI 1N 1 G 0300.00 4000.00 1000.00 1
- 0.06826533E+02 0.02125460E-01-0.02343132E-05-0.01166339E-08 0.02277273E-12 2
- 0.07253673E+06-0.01052162E+03 0.03549344E+02 0.07311005E-01 0.03249026E-05 3
--0.03682945E-07 0.01121511E-10 0.07370656E+06 0.07565329E+02 4
-H2SINH 42489SI 1N 1H 3 G 0300.00 3000.00 1000.00 1
- 0.06588295E+02 0.04903194E-01-0.04944720E-05-0.05014630E-08 0.01139470E-11 2
- 0.01809794E+06-0.09522970E+02 0.02822196E+02 0.01245518E+00-0.08350819E-05 3
--0.07411814E-07 0.03579019E-10 0.01923616E+06 0.01054783E+03 4
-H2SINH2 42489SI 1N 1H 4 G 0300.00 3000.00 1000.00 1
- 0.07392047E+02 0.05476841E-01-0.04453276E-05-0.05236661E-08 0.01138390E-11 2
- 0.01136858E+06-0.01138050E+03 0.04053223E+02 0.01182231E+00-0.04348128E-05 3
--0.06225818E-07 0.02798829E-10 0.01241971E+06 0.06562033E+02 4
-H2SINH3 121386SI 1H 5N 1 G 0300.00 4000.00 1000.00 1
- 0.08711392E+02 0.05909106E-01-0.05436615E-05-0.03248350E-08 0.05960257E-12 2
- 0.08441694E+05-0.01933470E+03 0.04269730E+02 0.01125224E+00 0.01951722E-04 3
--0.03578373E-07-0.08372202E-12 0.01022204E+06 0.05876736E+02 4
-H2SISIH2 42489SI 2H 4 G 0300.00 3000.00 1000.00 1
- 0.08986817E+02 0.05405047E-01-0.05214022E-05-0.05313742E-08 0.01188727E-11 2
- 0.02832748E+06-0.02004478E+03 0.05133186E+02 0.01252855E+00-0.04620421E-05 3
--0.06606075E-07 0.02864345E-10 0.02956915E+06 0.07605133E+01 4
-H3ASGAET3 62987AS 1GA 1C 6H 18G 0300.00 1500.00 0600.00 1
- 0.08508501E+02 0.05632369E+00 0.02524140E-04-0.01861451E-06 0.05372403E-10 2
--0.01085517E+06-0.03399858E+02-0.08974745E+02 0.01090516E+01 0.02811457E-03 3
--0.02195513E-05 0.01599734E-08-0.07592761E+05 0.08165459E+03 4
-H3ASGAME3 62987AS 1GA 1C 3H 12G 0300.00 1500.00 0600.00 1
- 0.01125499E+03 0.03159753E+00 0.01177904E-04-0.01013352E-06 0.02947356E-10 2
--0.07280344E+05-0.02238730E+03 0.01267161E+02 0.06214586E+00 0.01385631E-03 3
--0.01220044E-05 0.08982019E-09-0.05425619E+05 0.02613306E+03 4
-H3CONHO 103190C 1H 4N 1O 2G 0300.00 4000.00 1500.00 1
- 0.01249270E+03 0.04773900E-01-0.04717255E-05-0.01987935E-08 0.03599460E-12 2
--0.02354754E+05-0.03945442E+03 0.01930733E+02 0.02865910E+00-0.02313063E-03 3
- 0.01068402E-06-0.02139376E-10 0.01638891E+05 0.01796108E+03 4
-H3SIC 61991H 3C 1SI 1 G 0300.00 2500.00 1500.00 1
- 0.08536022E+02 0.02944748E-01-0.01752614E-05-0.03061316E-08 0.06463710E-12 2
- 0.07066730E+06-0.02041360E+03 0.01037017E+02 0.02192253E+00-0.01926062E-03 3
- 0.08725014E-07-0.01615505E-10 0.07315849E+06 0.01939904E+03 4
-H3SICCH 61991H 4C 2SI 1 G 0300.00 2500.00 1500.00 1
- 0.01193845E+03 0.04298239E-01-0.01882154E-05-0.04212272E-08 0.08245783E-12 2
- 0.02161639E+06-0.03978125E+03 0.01692389E+02 0.03078862E+00-0.02808630E-03 3
- 0.01359918E-06-0.02690423E-10 0.02503587E+06 0.01453670E+03 4
-H3SICH 61991H 4C 1SI 1 G 0300.00 2500.00 1500.00 1
- 0.09747808E+02 0.03532863E-01-0.01540271E-05-0.03539077E-08 0.06992248E-12 2
- 0.04253036E+06-0.02504347E+03 0.01710027E+02 0.02413212E+00-0.02164005E-03 3
- 0.01035470E-06-0.02035579E-10 0.04522928E+06 0.01762908E+03 4
-H3SICH2 61991H 5C 1SI 1 G 0300.00 2500.00 1500.00 1
- 0.01050164E+03 0.04907525E-01-0.01523178E-05-0.05436598E-08 0.01082455E-11 2
- 0.01632252E+06-0.02911264E+03 0.01199673E+02 0.02828259E+00-0.02394311E-03 3
- 0.01103518E-06-0.02125819E-10 0.01948167E+06 0.02041804E+03 4
-H3SICH3 61991H 6C 1SI 1 G 0300.00 2500.00 1500.00 1
- 0.01022214E+03 0.07221275E-01-0.01482544E-05-0.09419140E-08 0.01956175E-11 2
--0.08301660E+05-0.03163487E+03 0.01240228E+02 0.02729962E+00-0.01707597E-03 3
- 0.05502474E-07-0.07521465E-11-0.05090007E+05 0.01692759E+03 4
-H3SIN 22790H 3SI 1N 1 G 0300.00 4000.00 1000.00 1
- 0.07964213E+02 0.03355633E-01-0.03579695E-05-0.01889818E-08 0.03650912E-12 2
- 0.01148697E+07-0.01924110E+03 0.02790629E+02 0.01134566E+00 0.08321879E-05 3
--0.05845045E-07 0.01685969E-10 0.01167357E+07 0.09384630E+02 4
-H3SINH 42489SI 1N 1H 4 G 0300.00 3000.00 1000.00 1
- 0.07697340E+02 0.05657943E-01-0.05209306E-05-0.05617966E-08 0.01263502E-11 2
- 0.02282005E+06-0.01330379E+03 0.02778390E+02 0.01510711E+00-0.06734261E-05 3
--0.08928515E-07 0.04115347E-10 0.02435913E+06 0.01309386E+03 4
-H3SISIH 111191H 4SI 2 G 0300.00 4000.00 1500.00 1
- 0.01127202E+03 0.02538145E-01-0.02998472E-05-0.09465367E-09 0.01855053E-12 2
- 0.03297169E+06-0.03264598E+03 0.03698707E+02 0.01870180E+00-0.01430704E-03 3
- 0.06005836E-07-0.01116293E-10 0.03590825E+06 0.08825191E+02 4
-H3SISIH3 42489SI 2H 6 G 0300.00 3000.00 1000.00 1
- 0.01068273E+03 0.08221416E-01-0.08096035E-05-0.08337975E-08 0.01908205E-11 2
- 0.05316920E+05-0.03082188E+03 0.03898290E+02 0.01977415E+00 0.01791014E-05 3
--0.01033168E-06 0.03931699E-10 0.07621719E+05 0.06227022E+02 4
-HALME 62987AL 1C 1H 4 G 0300.00 1500.00 0600.00 1
- 0.04812273E+02 0.01029645E+00 0.02582808E-05-0.03323597E-07 0.09884584E-11 2
- 0.01176673E+06 0.09557062E+01 0.01118789E+02 0.02180038E+00 0.04120785E-04 3
--0.04366690E-06 0.03273825E-09 0.01244736E+06 0.01886107E+03 4
-HALME2 62987AL 1C 2H 7 G 0300.00 1500.00 0600.00 1
- 0.05705172E+02 0.01924317E+00 0.06377855E-05-0.06346800E-07 0.01896800E-10 2
--0.06049865E+05-0.06331378E+01-0.01494261E+02 0.04158568E+00 0.08686772E-04 3
--0.08604142E-06 0.06447653E-09-0.04722517E+05 0.03427725E+03 4
-HASALME 62987AS 1AL 1C 1H 4G 0300.00 1500.00 0600.00 1
- 0.06956539E+02 0.01061278E+00 0.02440154E-05-0.03297737E-07 0.01020004E-10 2
- 0.02582506E+06-0.08625792E+01 0.02544859E+02 0.02465795E+00 0.03677808E-04 3
--0.05008894E-06 0.03848384E-09 0.02663010E+06 0.02046859E+03 4
-HASGAET 62987AS 1GA 1C 2H 6G 0300.00 1500.00 0600.00 1
- 0.06336445E+02 0.02340603E+00 0.09066638E-05-0.07519059E-07 0.01828115E-10 2
- 0.03184605E+06 0.05812180E+02 0.05642724E+02 0.02296739E+00 0.01094867E-03 3
--0.02449038E-06 0.09602701E-10 0.03204718E+06 0.09675533E+02 4
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- 0.07507970E+02 0.09277900E-01 0.01891932E-05-0.02769887E-07 0.07996070E-11 2
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- 0.01880057E+06-0.05360325E+02-0.01575095E+01 0.03649094E+00 0.08332940E-04 3
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--0.07455611E-06 0.05527881E-09 0.07587766E+05 0.03020451E+03 4
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- 0.01412247E+03 0.04593411E-01-0.03738175E-05-0.02574329E-08 0.04539160E-12 2
- 0.06249257E+06-0.04722335E+03 0.06854796E+02 0.01699404E+00-0.02582284E-04 3
--0.05488765E-07 0.02281481E-10 0.06515364E+06-0.07133854E+02 4
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- 0.06758073E+02 0.02000400E-01-0.02027607E-05-0.01041132E-08 0.01965165E-12 2
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- 0.01480501E+03 0.02600965E-01-0.04631204E-05-0.02401379E-09 0.09812397E-13 2
--0.02163059E+06-0.04610236E+03 0.04846840E+02 0.03181717E+00-0.03572068E-03 3
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- 0.02755335E+02 0.01473581E-01-0.04971254E-05 0.08108658E-09-0.05072063E-13 2
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- 0.01459366E+03 0.04006211E-01-0.04818700E-05-0.01336338E-08 0.02648821E-12 2
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- 0.01863092E+03 0.01991871E-01-0.04703153E-05 0.02393378E-09 0.02997096E-13 2
--0.07983306E+06-0.05812192E+03 0.08215700E+02 0.03290751E+00-0.03764294E-03 3
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- 0.01282877E+03 0.02295631E-01-0.04601887E-05-0.02941710E-09 0.01148412E-12 2
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- 0.01228193E+03 0.02136310E-01-0.03756942E-05-0.01347374E-09 0.05834907E-13 2
--0.08447210E+05-0.03860056E+03 0.01544662E+02 0.02882431E+00-0.02921314E-03 3
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- 0.01779932E+03 0.06864497E-01-0.06677913E-05-0.02916791E-08 0.05251096E-12 2
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- 0.01094639E+03 0.03063482E-01-0.04057563E-05-0.07933510E-09 0.01649546E-12 2
--0.03161099E+05-0.03101113E+03 0.02331473E+02 0.02712338E+00-0.02843577E-03 3
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- 0.01183446E+03 0.03802168E-01-0.04054360E-05-0.01478932E-08 0.02756845E-12 2
--0.09669808E+05-0.03413556E+03 0.03061496E+02 0.02418432E+00-0.02072566E-03 3
- 0.01016711E-06-0.02124115E-10-0.06367089E+05 0.01342892E+03 4
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- 0.08766356E+02 0.08352699E-02-0.01828719E-05 0.04227080E-10 0.01924493E-13 2
- 0.03066829E+06-0.01515527E+03 0.05006777E+02 0.01170423E+00-0.01308663E-03 3
- 0.07173085E-07-0.01520111E-10 0.03183531E+06 0.04414009E+02 4
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- 0.03426457E+02 0.03924190E-01-0.01601138E-04 0.03161966E-08-0.02432850E-12 2
- 0.01485552E+06 0.03607795E+02 0.02417787E+02 0.09031856E-01-0.01107727E-03 3
- 0.07980141E-07-0.02311141E-10 0.01501044E+06 0.08222891E+02 4
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- 0.03132669E+06-0.01632509E+02 0.02759456E+02 0.06103387E-01 0.07713149E-05 3
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- 0.06692412E+02 0.02368360E-01-0.02371510E-05-0.01275503E-08 0.02407137E-12 2
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- 0.02500000E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2
--0.07453750E+04 0.09153489E+01 0.02500000E+02 0.00000000E+00 0.00000000E+00 3
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- 0.02956767E+02 0.07721015E-02-0.09899833E-06-0.04993521E-10 0.01429331E-13 2
--0.03361061E+06 0.04011673E+02 0.03431841E+02 0.04404166E-02-0.08828452E-05 3
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- 0.01131527E+03 0.05176237E-01-0.09149018E-05-0.01774353E-07 0.08208311E-11 2
--0.02812664E+06-0.03960847E+03 0.09176256E+02 0.01716637E+00-0.02379101E-03 3
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--0.03555571E+06-0.04461773E+03 0.01002375E+03 0.01031694E+00-0.01160577E-03 3
- 0.08123549E-07-0.02343515E-10-0.03522627E+06-0.03658009E+03 4
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- 0.01156086E+03 0.03513290E-01-0.04228193E-06-0.06265655E-08 0.01191005E-11 2
--0.06207291E+06-0.04780613E+03 0.01035013E+03 0.06139501E-01-0.03674693E-05 3
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- 0.01104021E+03 0.05724188E-01-0.09515335E-05-0.02149612E-07 0.09793057E-11 2
--0.01777374E+06-0.03535439E+03 0.09788829E+02 0.01440390E+00-0.01844748E-03 3
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- 0.08765131E+05-0.04046067E+01 0.01163284E+02 0.03282213E+00 0.06765717E-04 3
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- 0.06511306E+02 0.02819754E+00 0.01418751E-04-0.09000947E-07 0.02572894E-10 2
--0.04482180E+05 0.04709022E+02-0.01486576E+02 0.05217640E+00 0.01356342E-03 3
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- 0.06759398E+02 0.01426103E+00-0.01174024E-05-0.05001401E-07 0.01502785E-10 2
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--0.06814504E-06 0.05150323E-09-0.03978242E+04 0.02539305E+03 4
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- 0.04470182E+02 0.01740022E-02-0.01782286E-06 0.03639776E-10-0.02699461E-14 2
- 0.01118634E+06 0.07116504E+02 0.04325519E+02 0.06429246E-02-0.04527797E-05 3
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- 0.07251462E+02 0.03082143E-02-0.01447555E-05 0.02958294E-09-0.02201214E-13 2
--0.01981231E+06-0.06061846E+02 0.06249130E+02 0.03221573E-01-0.02109668E-04 3
--0.07713536E-08 0.08526178E-11-0.01958242E+06-0.01015613E+02 4
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- 0.07750329E+02 0.03529253E-01 0.03886646E-06-0.08307839E-08 0.02781535E-11 2
--0.03009787E+06-0.02772331E+03 0.07611778E+02 0.05084911E-01-0.02887606E-04 3
- 0.09093899E-08 0.04734468E-12-0.03015054E+06-0.02738100E+03 4
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- 0.06970407E+02 0.06373497E-02-0.02938029E-05 0.05925826E-09-0.04366956E-13 2
--0.03751535E+06-0.08137829E+02 0.05155538E+02 0.05733727E-01-0.03667157E-04 3
--0.01223692E-07 0.01370429E-10-0.03707844E+06 0.01073098E+02 4
-HGF2(S) 81292F 2HG 1 S 0300.00 2000.00 1000.00 1
- 0.08322627E+02 0.02317361E-01 0.02103511E-05-0.09665973E-09 0.01631405E-12 2
--0.05342179E+06-0.03414006E+03 0.08250103E+02 0.02543387E-01-0.07218619E-06 3
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- 0.03674353E+02 0.01116618E-01-0.03728888E-05 0.07077644E-09-0.04984356E-13 2
- 0.02745200E+06 0.04954799E+02 0.02859969E+02 0.03217363E-01-0.02993410E-04 3
- 0.02267118E-07-0.08671660E-11 0.02771287E+06 0.09273314E+02 4
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- 0.01470042E+06 0.08086309E+02 0.04411734E+02 0.05799910E-02-0.03475217E-05 3
- 0.01593090E-08-0.01730073E-12 0.01471610E+06 0.08458668E+02 4
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- 0.03713110E+05 0.04621457E+02 0.03235991E+02 0.03067171E-01-0.01992628E-04 3
--0.04378690E-08 0.06018341E-11 0.03950193E+05 0.09495331E+02 4
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- 0.07146808E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2
--0.01350616E+06-0.03327734E+03 0.02854835E+02 0.01115052E+00-0.01160794E-03 3
- 0.06126729E-07-0.01377341E-10-0.01217635E+06-0.01067390E+03 4
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- 0.07025463E+02 0.02564787E+00 0.09619100E-05-0.08403699E-07 0.02488960E-10 2
--0.01361377E+05-0.03319484E+02-0.02079143E+02 0.05373076E+00 0.01181036E-03 3
--0.01099855E-05 0.08189554E-09 0.03216961E+04 0.04086070E+03 4
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- 0.09963640E+02 0.02864737E-01-0.03812930E-05-0.07443356E-09 0.01610124E-12 2
--0.01662184E+06-0.02871770E+03 0.03244199E+01 0.02850544E+00-0.02753934E-03 3
- 0.01337294E-06-0.02571777E-10-0.01354499E+06 0.02201480E+03 4
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- 0.06023015E+02 0.02454362E-01-0.02404279E-05-0.01322973E-08 0.02474146E-12 2
- 0.03394051E+06-0.07015537E+02 0.03621003E+02 0.06030785E-01 0.04054460E-05 3
--0.02545271E-07 0.06174280E-11 0.03482373E+06 0.06333769E+02 4
-HNC 92392H 1C 1N 1 G 0300.00 5000.00 1500.00 1
- 0.05283464E+02 0.01092476E-01-0.01170865E-05-0.02308672E-09 0.03950673E-13 2
- 0.02012958E+06-0.06388218E+02 0.03592377E+02 0.05561340E-01-0.05936823E-04 3
- 0.03782329E-07-0.09365092E-11 0.02079803E+06 0.02732160E+02 4
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- 0.07251951E+02 0.01587363E-01-0.01995579E-05-0.04841944E-09 0.09908280E-13 2
- 0.03563666E+06-0.01312080E+03 0.02951908E+02 0.01245028E+00-0.01161611E-03 3
- 0.05786108E-07-0.01175004E-10 0.03712483E+06 0.09811426E+02 4
-HNCNH 62790C 1H 2N 2 G 0300.00 4000.00 1500.00 1
- 0.08374143E+02 0.02366143E-01-0.03502324E-05-0.04391102E-09 0.01096859E-12 2
- 0.01461088E+06-0.02107393E+03 0.01001985E+02 0.02464016E+00-0.02759770E-03 3
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- 0.04072191E+02 0.02131296E-01-0.05308145E-05 0.06112269E-09-0.02841165E-13 2
--0.01579727E+04 0.03476029E+02 0.02979963E+02 0.04996697E-01-0.03790997E-04 3
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- 0.01089048E+03 0.04000443E-01-0.04729597E-05-0.01295970E-08 0.02552658E-12 2
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- 0.06022112E+02 0.01929530E-01-0.01455029E-05-0.01045811E-08 0.01794814E-12 2
--0.04040321E+05-0.05866433E+02 0.03789424E+02 0.05387981E-01-0.06518270E-05 3
--0.01420164E-07 0.05367969E-11-0.03135335E+05 0.06667052E+02 4
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- 0.07517634E+02 0.01259029E-01-0.01910901E-05-0.03136391E-09 0.07547673E-13 2
--0.02634121E+06-0.01448392E+03 0.02285122E+02 0.01351435E+00-0.01160407E-03 3
- 0.05047011E-07-0.09032231E-11-0.02448416E+06 0.01367874E+03 4
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- 0.05486893E+02 0.04218065E-01-0.01649143E-04 0.02971877E-08-0.02021148E-12 2
--0.01126865E+06-0.02997002E+02 0.02290413E+02 0.01409922E+00-0.01367872E-03 3
- 0.07498780E-07-0.01876905E-10-0.01043195E+06 0.01328077E+03 4
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- 0.09756148E+02 0.01900948E-01-0.03240020E-05-0.03976639E-09 0.01100334E-12 2
--0.01942244E+06-0.02690023E+03 0.07877668E+01 0.02382329E+00-0.02205964E-03 3
- 0.01034048E-06-0.01972857E-10-0.01630442E+06 0.02108964E+03 4
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- 0.01220942E+03 0.09173338E-01-0.01186653E-05-0.01188590E-07 0.02418110E-11 2
- 0.03781464E+05-0.03668250E+03 0.02568267E+02 0.03071446E+00-0.01863911E-03 3
- 0.06210373E-07-0.09376544E-11 0.07271919E+05 0.01551808E+03 4
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- 0.01723999E+03 0.01101475E+00-0.01546410E-05-0.01338650E-07 0.02653453E-11 2
--0.02842083E+05-0.06077749E+03 0.03367732E+02 0.04430759E+00-0.03246598E-03 3
- 0.01379387E-06-0.02586752E-10 0.02041653E+05 0.01367000E+03 4
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- 0.01689903E+03 0.01338224E+00-0.01538243E-05-0.01746233E-07 0.03550375E-11 2
--0.02740327E+06-0.06121112E+03 0.03224459E+02 0.04373614E+00-0.02597404E-03 3
- 0.08415742E-07-0.01236561E-10-0.02243583E+06 0.01289306E+03 4
-HSI(NH2)2 22790SI 1H 5N 2 G 0300.00 4000.00 1000.00 1
- 0.01171677E+03 0.05339021E-01-0.04667824E-05-0.02824087E-08 0.05080916E-12 2
--0.01264169E+05-0.03245118E+03 0.06289699E+02 0.01675060E+00-0.01520878E-04 3
--0.01070065E-06 0.05538641E-10 0.03154771E+04-0.03746008E+02 4
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- 0.01661406E+03 0.07395874E-01-0.06440010E-05-0.03918887E-08 0.07045959E-12 2
--0.03859547E+06-0.05865318E+03 0.07070983E+02 0.02754435E+00-0.02603669E-04 3
--0.01874567E-06 0.09778511E-10-0.03582658E+06-0.08209675E+02 4
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- 0.03962671E+06-0.02128790E+03 0.02376883E+02 0.01822864E+00-0.01641260E-03 3
- 0.07937691E-07-0.01590356E-10 0.04179768E+06 0.01215211E+03 4
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- 0.07578257E+02 0.05000398E-01-0.08706991E-06-0.06516750E-08 0.01344446E-11 2
- 0.02138075E+06-0.01438961E+03 0.02658293E+02 0.01547950E+00-0.08319889E-04 3
- 0.02184355E-07-0.02302844E-11 0.02319822E+06 0.01240552E+03 4
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- 0.04900628E+02 0.01981752E-01-0.03634647E-05-0.02285211E-08 0.07633527E-12 2
- 0.06914634E+05 0.01377004E+02 0.03072748E+02 0.09057843E-01-0.01159134E-03 3
- 0.08310477E-07-0.02483000E-10 0.07324210E+05 0.01033490E+03 4
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- 0.05746590E+02 0.01167119E-01-0.01360742E-05-0.05908617E-09 0.01174696E-12 2
- 0.04484671E+06-0.05931788E+02 0.04865176E+02 0.01775119E-01 0.04890870E-05 3
- 0.03922383E-08-0.07913276E-11 0.04526353E+06-0.07134509E+01 4
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- 0.06493435E+02 0.02567980E-01-0.03126526E-05-0.02577467E-08 0.06216479E-12 2
- 0.04035934E+06-0.07830112E+02 0.03566343E+02 0.08446736E-01-0.07699952E-05 3
--0.05270970E-07 0.02581065E-10 0.04124904E+06 0.07780791E+02 4
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--0.07408477E-07 0.03789792E-10 0.01190771E+06 0.01126252E+03 4
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--0.07315279E+07-0.02135898E+04 0.02800687E+03 0.02363518E+00 0.05436592E-03 3
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- 0.09200109E+02 0.04813529E-01-0.01018656E-04 0.08972973E-08-0.02121417E-11 2
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- 0.01400625E+03 0.08639256E-01 0.01734839E-04-0.01101018E-07 0.02493181E-11 2
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- 0.02692199E+03 0.01202448E+00 0.05058586E-06-0.02459252E-07 0.06112274E-11 2
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- 0.04789960E+03-0.03698524E-01 0.01208277E-04 0.06439299E-07-0.01714364E-10 2
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--0.06808868E-06 0.02773367E-09-0.03554758E+07-0.01561649E+04 4
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- 0.02557611E+03 0.01452585E+00-0.02005301E-04-0.01843642E-07 0.05259736E-11 2
--0.04090259E+07-0.01172057E+04 0.01633462E+03 0.05150368E+00-0.07128115E-03 3
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- 0.01230182E+03 0.04142506E-01-0.01820830E-04 0.03550730E-08-0.02552394E-12 2
--0.01910389E+07-0.03449073E+03 0.05358002E+02 0.02295803E+00-0.01721231E-03 3
- 0.02466718E-07 0.01382599E-10-0.01891819E+07 0.01299769E+02 4
-KBO2 81292B 1K 1O 2 G 0300.00 5000.00 1000.00 1
- 0.07506115E+02 0.02663024E-01-0.01134505E-04 0.02165299E-08-0.01532624E-12 2
--0.08364206E+06-0.08262075E+02 0.04636629E+02 0.01088843E+00-0.09865937E-04 3
- 0.04481115E-07-0.09043993E-11-0.08286314E+06 0.06500684E+02 4
-KBO2(S) 81292B 1K 1O 2 S 0300.00 2000.00 1000.00 1
- 0.07971486E+02 0.06730890E-01-0.01544574E-04-0.09972352E-08 0.04052630E-11 2
--0.01227148E+07-0.03858371E+03 0.01603821E+02 0.03275175E+00-0.04757948E-03 3
- 0.03848067E-06-0.01269093E-09-0.01212629E+07-0.07486101E+02 4
-KBR 81292BR 1K 1 G 0300.00 5000.00 1000.00 1
- 0.04458711E+02 0.01473836E-02-0.02499466E-06 0.05161851E-10-0.03875234E-14 2
--0.02300303E+06 0.04657488E+02 0.04270624E+02 0.07398923E-02-0.05320569E-05 3
--0.05894879E-10 0.01133094E-11-0.02296215E+06 0.05593031E+02 4
-KBR(L) 81292BR 1K 1 L 0300.00 2500.00 1000.00 1
- 0.08404630E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2
--0.04779214E+06-0.03519115E+03 0.08404630E+02 0.00000000E+00 0.00000000E+00 3
- 0.00000000E+00 0.00000000E+00-0.04779214E+06-0.03519115E+03 4
-KBR(S) 81292BR 1K 1 S 0300.00 1500.00 1000.00 1
--0.05170830E+02 0.01746852E+00 0.01013392E-04-0.07494241E-07 0.02378879E-10 2
--0.04495981E+06 0.03946532E+03 0.05431605E+02 0.03845234E-01-0.03455247E-04 3
--0.09685064E-09 0.02470977E-10-0.04912882E+06-0.02040493E+03 4
-KCL 81092CL 1K 1 G 0300.00 5000.00 1000.00 1
- 0.04434967E+02 0.01726721E-02-0.03865868E-06 0.07943251E-10-0.05932801E-14 2
--0.02716306E+06 0.03398542E+02 0.04149517E+02 0.01039142E-01-0.07034589E-05 3
--0.01200715E-08 0.02112008E-11-0.02709960E+06 0.04826011E+02 4
-KCL(L) 81092CL 1K 1 L 0300.00 2000.00 1000.00 1
- 0.08852542E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2
--0.05337392E+06-0.04001344E+03 0.08852542E+02 0.00000000E+00 0.00000000E+00 3
- 0.00000000E+00 0.00000000E+00-0.05337392E+06-0.04001344E+03 4
-KCL(S) 81092CL 1K 1 S 0300.00 1500.00 1000.00 1
- 0.01391136E+01 0.07749002E-01 0.02100056E-04-0.01960861E-07 0.03813962E-12 2
--0.05188544E+06 0.09020889E+02 0.05818812E+02-0.05778791E-02 0.09593293E-04 3
--0.01468548E-06 0.07916702E-10-0.05429399E+06-0.02336092E+03 4
-KCL4AL(S) 81292AL 1CL 4K 1 S 0300.00 2000.00 1000.00 1
- 0.02311946E+03 0.01525936E-01-0.06380630E-06-0.04176163E-08 0.01306884E-11 2
--0.01521618E+07-0.01113391E+04 0.01753111E+03-0.03647218E-01 0.03673018E-03 3
--0.03613268E-06 0.09813280E-10-0.01492592E+07-0.07647553E+03 4
-KCLO4(S) 81092CL 1K 1O 4 S 0300.00 1500.00 1000.00 1
- 0.01704025E+03 0.06660737E-01-0.06016704E-05 0.09785776E-08-0.05059647E-11 2
--0.05676480E+06-0.08085843E+03-0.08468085E+02 0.01228758E+01-0.02129487E-02 3
- 0.01790606E-05-0.05694776E-09-0.05181381E+06 0.04005509E+03 4
-KCN 81092C 1K 1N 1 G 0300.00 5000.00 1000.00 1
- 0.05842749E+02 0.01653475E-01-0.06722096E-05 0.01241081E-08-0.08573718E-13 2
- 0.07711161E+05-0.03406482E+02 0.05315387E+02 0.03936776E-01-0.05387426E-04 3
- 0.04814072E-07-0.01739264E-10 0.07842257E+05-0.08199391E+01 4
-KCN(L) 81092C 1K 1N 1 L 0300.00 3000.00 1000.00 1
- 0.09058883E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2
--0.01522798E+06-0.03545687E+03 0.09058883E+02 0.00000000E+00 0.00000000E+00 3
- 0.00000000E+00 0.00000000E+00-0.01522798E+06-0.03545687E+03 4
-KCN(S) 81092C 1K 1N 1 S 0300.00 2000.00 1000.00 1
- 0.07894013E+02 0.02150449E-02-0.01621315E-05 0.06831993E-09-0.01060712E-12 2
--0.01600422E+06-0.02964975E+03 0.08115453E+02-0.08847082E-02 0.01981085E-04 3
--0.01804607E-07 0.05974163E-11-0.01604356E+06-0.03067895E+03 4
-KF 81292F 1K 1 G 0300.00 5000.00 1000.00 1
- 0.04357120E+02 0.02586241E-02-0.08236973E-06 0.01676907E-09-0.01243132E-13 2
--0.04063861E+06 0.02285054E+02 0.03798984E+02 0.01885430E-01-0.01210870E-04 3
--0.03741075E-08 0.04494632E-11-0.04051013E+06 0.05095577E+02 4
-KF(L) 81292F 1K 1 L 0300.00 3000.00 1000.00 1
- 0.08656265E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2
--0.06927377E+06-0.04118344E+03 0.08656265E+02 0.00000000E+00 0.00000000E+00 3
- 0.00000000E+00 0.00000000E+00-0.06927377E+06-0.04118343E+03 4
-KF(S) 81292F 1K 1 S 0300.00 2000.00 1000.00 1
- 0.03272299E+01 0.08993195E-01-0.03094381E-06-0.02624963E-07 0.07101532E-11 2
--0.06804909E+06 0.05309298E+02 0.06190467E+02-0.05622034E-01 0.02294401E-03 3
--0.02818213E-06 0.01204436E-09-0.07014057E+06-0.02637925E+03 4
-KH 81092H 1K 1 G 0300.00 5000.00 1000.00 1
- 0.03968138E+02 0.07086924E-02-0.02618517E-05 0.05096044E-09-0.03655452E-13 2
- 0.01350120E+06 0.08027413E+01 0.02900121E+02 0.03518317E-01-0.02544774E-04 3
- 0.04599961E-08 0.01286229E-11 0.01379667E+06 0.06342766E+02 4
-KH(S) 81092H 1K 1 S 0300.00 1500.00 1000.00 1
- 0.05864564E+02 0.01204909E-01 0.02825877E-06 0.03559937E-08-0.02515747E-11 2
--0.09079129E+05-0.02848776E+03 0.05248775E+01 0.02016870E+00-0.02768125E-03 3
- 0.02024240E-06-0.06052568E-10-0.07796234E+05-0.01890097E+02 4
-KI 81092I 1K 1 G 0300.00 5000.00 1000.00 1
- 0.04470767E+02 0.01359027E-02-0.01768799E-06 0.03648327E-10-0.02733674E-14 2
--0.01644198E+06 0.05528315E+02 0.04327901E+02 0.05945793E-02-0.04409470E-05 3
- 0.04559572E-09 0.06522621E-12-0.01641095E+06 0.06237795E+02 4
-KI(L) 81092I 1K 1 L 0300.00 2500.00 1000.00 1
- 0.08706593E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2
--0.04022598E+06-0.03588112E+03 0.08706593E+02 0.00000000E+00 0.00000000E+00 3
- 0.00000000E+00 0.00000000E+00-0.04022598E+06-0.03588112E+03 4
-KI(S) 81092I 1K 1 S 0300.00 2000.00 1000.00 1
- 0.01442913E+02 0.09802845E-01-0.01380615E-04-0.02325573E-07 0.07600708E-11 2
--0.03988335E+06 0.02717618E+02 0.05114120E+02 0.08508960E-01-0.02212545E-03 3
- 0.02836093E-06-0.01155892E-09-0.04120049E+06-0.01812497E+03 4
-KO 81092K 1O 1 G 0300.00 5000.00 1000.00 1
- 0.04400291E+02 0.02386787E-02-0.05880047E-06 0.01206713E-09-0.09006961E-14 2
- 0.07217110E+05 0.03434775E+02 0.03985333E+02 0.01469353E-01-0.09479054E-05 3
--0.02419141E-08 0.03264700E-11 0.07311120E+05 0.05517902E+02 4
-KO- 81092K 1O 1E 1 G 0300.00 5000.00 1000.00 1
- 0.04394805E+02 0.02418371E-02-0.06146423E-06 0.01255348E-09-0.09326869E-14 2
--0.01794565E+06 0.02053687E+02 0.03961007E+02 0.01526099E-01-0.09806386E-05 3
--0.02666917E-08 0.03470232E-11-0.01784737E+06 0.04231682E+02 4
-KO2(S) 81092K 1O 2 S 0300.00 1500.00 1000.00 1
- 0.01049310E+03 0.01397618E-01-0.06976643E-05 0.03477427E-08-0.01222708E-11 2
--0.03767516E+06-0.04607321E+03 0.04023244E+02 0.02903561E+00-0.04812416E-03 3
- 0.03816613E-06-0.01168231E-09-0.03635805E+06-0.01502191E+03 4
-KOH 81092H 1K 1O 1 G 0300.00 2000.00 1000.00 1
- 0.09996477E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2
--0.05262511E+06-0.04533806E+03 0.09996477E+02 0.00000000E+00 0.00000000E+00 3
- 0.00000000E+00 0.00000000E+00-0.05262511E+06-0.04533805E+03 4
-KOH+ 81092H 1K 1O 1E -1G 0300.00 5000.00 1000.00 1
- 0.05583889E+02 0.01372118E-01-0.04239710E-05 0.06231942E-09-0.03548772E-13 2
- 0.05821436E+06-0.02017959E+02 0.05036081E+02 0.04278173E-01-0.04213406E-04 3
- 0.01114253E-07 0.03757057E-11 0.05823345E+06 0.03093667E+01 4
-ME2GAET 62987GA 1C 4H 11 G 0300.00 1500.00 0600.00 1
- 0.07174541E+02 0.03235532E+00 0.01495199E-04-0.01048226E-06 0.03053962E-10 2
--0.06383914E+05-0.02026765E+02-0.03218207E+02 0.06398884E+00 0.01554552E-03 3
--0.01284710E-05 0.09441259E-09-0.04451897E+05 0.04848091E+03 4
-MEGAET 62987GA 1C 3H 8 G 0300.00 1500.00 0600.00 1
- 0.06600990E+02 0.02284791E+00 0.01013375E-04-0.07318046E-07 0.02140197E-10 2
- 0.04071593E+05 0.05239052E+01-0.08169937E+01 0.04554296E+00 0.01053133E-03 3
--0.09079987E-06 0.06700564E-09 0.05448005E+05 0.03655502E+03 4
-MEGAET2 62987GA 1C 5H 13 G 0300.00 1500.00 0600.00 1
- 0.08123156E+02 0.03978908E+00 0.01690979E-04-0.01308415E-06 0.03852599E-10 2
--0.08091057E+05-0.05039992E+02-0.05607499E+02 0.08187357E+00 0.01920530E-03 3
--0.01678979E-05 0.01243354E-08-0.05546688E+05 0.06163371E+03 4
-MG 81292MG 1 G 0300.00 5000.00 1000.00 1
- 0.02392633E+02 0.02085925E-02-0.01269898E-05 0.02553204E-09-0.04502495E-14 2
- 0.01704914E+06 0.04211876E+02 0.02416375E+02 0.05325518E-02-0.01135514E-04 3
- 0.09757325E-08-0.02898280E-11 0.01701992E+06 0.03983786E+02 4
-MG(L) 81292MG 1 L 0300.00 2500.00 1000.00 1
- 0.02664314E+02 0.01304526E-01-0.07547418E-07 0.06776047E-10-0.01436523E-13 2
- 0.02234430E+04-0.01047801E+03 0.02161491E+02 0.04242991E-01-0.06464607E-04 3
- 0.06116790E-07-0.02090033E-10 0.02996028E+04-0.08229090E+02 4
-MG(S) 81292MG 1 S 0300.00 2000.00 1000.00 1
- 0.02318547E+02 0.01929427E-01-0.01682130E-05 0.04131403E-09-0.01669293E-13 2
--0.07634172E+04-0.09802473E+02 0.01505637E+02 0.09217769E-01-0.01955590E-03 3
- 0.02020331E-06-0.07251403E-10-0.07226661E+04-0.06689818E+02 4
-MG+ 81292MG 1E -1 G 0300.00 5000.00 1000.00 1
- 0.02504405E+02-0.08920014E-04 0.06671727E-07-0.02081615E-10 0.02311490E-14 2
- 0.01064936E+07 0.04292208E+02 0.02498282E+02 0.01465863E-03-0.03808341E-06 3
- 0.04118195E-09-0.01573362E-12 0.01064953E+07 0.04322873E+02 4
-MG2 81292MG 2 G 0300.00 5000.00 1000.00 1
- 0.03671278E+02-0.02125120E-02 0.01013096E-05-0.02144628E-09 0.01719351E-13 2
- 0.03362331E+06 0.08548934E+02 0.04345606E+02-0.02080614E-01 0.01110301E-04 3
- 0.08675645E-08-0.07025087E-11 0.03346530E+06 0.05134171E+02 4
-MG2BR4 81292BR 4MG 2 G 0300.00 5000.00 1000.00 1
- 0.01577579E+03 0.02832096E-02-0.01343784E-05 0.02764443E-09-0.02066139E-13 2
--0.09710095E+06-0.03457961E+03 0.01476089E+03 0.03361559E-01-0.02433120E-04 3
--0.05502974E-08 0.08111758E-11-0.09687714E+06-0.02950851E+03 4
-MG2C3(S) 81292C 3MG 2 S 0300.00 2500.00 1000.00 1
- 0.01239169E+03 0.04624400E-01-0.02484800E-04 0.08656213E-08-0.01151950E-11 2
- 0.05393315E+05-0.06051988E+03-0.01026610E+02 0.07016433E+00-0.01240220E-02 3
- 0.01009934E-05-0.03082738E-09 0.07664551E+05 0.01701243E+02 4
-MG2F4 81292F 4MG 2 G 0300.00 5000.00 1000.00 1
- 0.01441927E+03 0.01917749E-01-0.08894670E-05 0.01801607E-08-0.01331627E-12 2
--0.02113316E+07-0.04283410E+03 0.08770948E+02 0.01784847E+00-0.01109718E-03 3
--0.04603306E-07 0.04695460E-10-0.02099919E+07-0.01422645E+03 4
-MGAL2O4(S) 81292AL 2MG 1O 4 S 0300.00 2800.00 1000.00 1
- 0.01495895E+03 0.08818509E-01-0.03160711E-04 0.01013391E-07-0.01228526E-11 2
--0.02817956E+07-0.07811436E+03-0.04868005E+02 0.01055641E+01-0.01821902E-02 3
- 0.01481432E-05-0.04514191E-09-0.02784436E+07 0.01382603E+03 4
-MGB2(S) 81292B 2MG 1 S 0300.00 2000.00 1000.00 1
- 0.06619755E+02 0.01322195E-01 0.04697857E-05 0.03681802E-08-0.01739753E-11 2
--0.01346401E+06-0.03460640E+03 0.04176086E+02 0.06396544E-01-0.05616456E-04 3
- 0.07092297E-07-0.03442529E-10-0.01255609E+06-0.02118159E+03 4
-MGBR 81292BR 1MG 1 G 0300.00 5000.00 1000.00 1
- 0.04385933E+02 0.01975075E-02-0.06117347E-06 0.01027103E-09-0.03876260E-14 2
--0.05584836E+05 0.04357095E+02 0.03932960E+02 0.01518559E-01-0.09413456E-05 3
--0.03806534E-08 0.04026288E-11-0.05481871E+05 0.06634707E+02 4
-MGBR2 81292BR 2MG 1 G 0300.00 5000.00 1000.00 1
- 0.07282371E+02 0.02671005E-02-0.01246470E-05 0.02534839E-09-0.01878437E-13 2
--0.03865522E+06-0.05463838E+02 0.06436183E+02 0.02723204E-01-0.01828290E-04 3
--0.05509276E-08 0.06681264E-11-0.03845914E+06-0.01198273E+02 4
-MGBR2+ 81292BR 2MG 1E -1 G 0300.00 5000.00 1000.00 1
- 0.07317323E+02 0.02252288E-02-0.01039562E-05 0.02025280E-09-0.01333602E-13 2
- 0.08575141E+06-0.03144653E+02 0.06600891E+02 0.02322271E-01-0.01575443E-04 3
--0.04621806E-08 0.05719750E-11 0.08591576E+06 0.04604670E+01 4
-MGC2(S) 81292C 2MG 1 S 0300.00 2500.00 1000.00 1
- 0.07427011E+02 0.02786444E-01-0.01500518E-04 0.05235992E-08-0.06981197E-12 2
- 0.08069270E+05-0.03697419E+03-0.06510206E+01 0.04230993E+00-0.07491559E-03 3
- 0.06109534E-06-0.01867195E-09 0.09434739E+05 0.04708862E+01 4
-MGCL 81292CL 1MG 1 G 0300.00 5000.00 1000.00 1
- 0.04335941E+02 0.02574531E-02-0.09346352E-06 0.01898185E-09-0.01405830E-13 2
--0.06564693E+05 0.03214818E+02 0.03708081E+02 0.02069048E-01-0.01328293E-04 3
--0.04347061E-08 0.05033764E-11-0.06418555E+05 0.06382778E+02 4
-MGCL2 81292CL 2MG 1 G 0300.00 5000.00 1000.00 1
- 0.07176871E+02 0.03917414E-02-0.01814155E-05 0.03670114E-09-0.02710187E-13 2
--0.04941693E+06-0.07830507E+02 0.06000831E+02 0.03745347E-01-0.02447708E-04 3
--0.07873749E-08 0.09100925E-11-0.04913880E+06-0.01880677E+02 4
-MGCL2(S) 81292CL 2MG 1 S 0300.00 2000.00 1000.00 1
- 0.08460549E+02 0.02204761E-01-0.06316590E-05 0.02617815E-08-0.05082748E-12 2
--0.07983216E+06-0.03816537E+03 0.04852236E+02 0.02102714E+00-0.03667994E-03 3
- 0.03032449E-06-0.09279303E-10-0.07928891E+06-0.02175204E+03 4
-MGCO3(S) 81292C 1MG 1O 3 S 0300.00 1000.00 1000.00 1
- 0.01585340E+03 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2
--0.01402924E+07-0.08639698E+03 0.01344667E+02 0.03695912E+00-0.04452165E-03 3
- 0.03181716E-06-0.09745892E-10-0.01354278E+07-0.09041713E+02 4
-MGF 81292F 1MG 1 G 0300.00 5000.00 1000.00 1
- 0.04166004E+02 0.04434929E-02-0.01720072E-05 0.03280565E-09-0.02190876E-13 2
--0.02980270E+06 0.02577443E+02 0.03172942E+02 0.03157075E-01-0.02008009E-04 3
--0.04636928E-08 0.06097890E-11-0.02955269E+06 0.07654193E+02 4
-MGF2 81292F 2MG 1 G 0300.00 5000.00 1000.00 1
- 0.06314408E+02 0.08013760E-02-0.03622602E-05 0.07202929E-09-0.05250556E-13 2
--0.08944590E+06-0.05637362E+02 0.04365511E+02 0.06150098E-01-0.04077014E-04 3
--0.07490467E-08 0.01130754E-10-0.08895505E+06 0.04323487E+02 4
-MGF2(S) 81292F 2MG 1 S 0300.00 2000.00 1000.00 1
- 0.08170168E+02 0.02353222E-01-0.01060785E-04 0.02392788E-08-0.01594861E-12 2
--0.01379692E+07-0.04083052E+03 0.01762995E+02 0.03056669E+00-0.04933989E-03 3
- 0.03778577E-06-0.01108964E-09-0.01367476E+07-0.01039233E+03 4
-MGF2+ 81292F 2MG 1E -1 G 0300.00 5000.00 1000.00 1
- 0.06819974E+02 0.08267521E-02-0.03871799E-05 0.07864547E-09-0.05589085E-13 2
- 0.06903427E+06-0.08313943E+02 0.04782002E+02 0.06580736E-01-0.04470059E-04 3
--0.08656625E-08 0.01305586E-10 0.06953005E+06 0.02038302E+02 4
-MGH 81292H 1MG 1 G 0300.00 5000.00 1000.00 1
- 0.03501857E+02 0.01196289E-01-0.04870483E-05 0.09616032E-09-0.06566165E-13 2
- 0.01915847E+06 0.02762077E+02 0.02929127E+02 0.02881565E-01-0.03702138E-04 3
- 0.03761425E-07-0.01569289E-10 0.01935649E+06 0.05809553E+02 4
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- 0.04503751E+02 0.05009365E-01-0.07076169E-05-0.09321345E-08 0.03016174E-11 2
--0.01106837E+06-0.02418625E+03-0.09052193E+00 0.01938007E+00-0.01936573E-03 3
- 0.01164904E-06-0.03397887E-10-0.09845471E+05-0.07606392E+01 4
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- 0.08302454E+02 0.03712996E-01-0.01279645E-04 0.02102831E-08-0.01337217E-12 2
--0.07153173E+06-0.01640682E+03 0.04724303E+02 0.01611746E+00-0.01291007E-03 3
- 0.05703660E-08 0.02430663E-10-0.07085783E+06 0.09898885E+01 4
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- 0.01381001E+03 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2
--0.01162998E+07-0.07323205E+03-0.04220693E+02 0.07726916E+00-0.01383568E-02 3
- 0.01155986E-05-0.03648025E-09-0.01123883E+07 0.01381610E+03 4
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- 0.04177825E+02 0.04387980E-02-0.01726040E-05 0.03444124E-09-0.02516521E-13 2
- 0.03340716E+06 0.02969357E+02 0.03200092E+02 0.03139739E-01-0.02045035E-04 3
--0.04125930E-08 0.05937391E-11 0.03365107E+06 0.07958522E+02 4
-MGO(S) 81292MG 1O 1 S 0300.00 4000.00 1000.00 1
- 0.04857470E+02 0.01952289E-01-0.08605956E-05 0.02101340E-08-0.01886027E-12 2
--0.07394488E+06-0.02524503E+03 0.01971740E+02 0.01095483E+00-0.08169910E-04 3
--0.06359402E-08 0.02019714E-10-0.07332016E+06-0.01088662E+03 4
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- 0.05156858E+02 0.01849251E-01-0.06339213E-05 0.01026031E-08-0.06282974E-13 2
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- 0.02400212E-08 0.01246873E-10 0.06898753E+06 0.05158118E+02 4
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- 0.01317442E+06-0.03521998E+03 0.03789723E+02-0.03985028E-01 0.02217192E-03 3
--0.01858825E-06 0.03239714E-10 0.01635406E+06 0.05868810E+02 4
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- 0.05581918E+02 0.08031267E-02-0.01812239E-05 0.04113088E-09-0.02798069E-13 2
--0.04331716E+06-0.02607368E+03 0.04076152E+02 0.07088011E-01-0.09604458E-04 3
- 0.06056009E-07-0.01373560E-10-0.04304232E+06-0.01890776E+03 4
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- 0.08845820E+02 0.01221900E+00-0.02141897E-04-0.09580988E-08 0.02954552E-11 2
--0.01549512E+07-0.04302983E+03 0.02258418E+02 0.04788929E+00-0.07110586E-03 3
- 0.05630850E-06-0.01709008E-09-0.01540505E+07-0.01345647E+03 4
-N 120186N 1 G 0300.00 5000.00 1000.00 1
- 0.02450268E+02 0.01066146E-02-0.07465337E-06 0.01879652E-09-0.01025984E-13 2
- 0.05611604E+06 0.04448758E+02 0.02503071E+02-0.02180018E-03 0.05420529E-06 3
--0.05647560E-09 0.02099904E-12 0.05609890E+06 0.04167566E+02 4
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- 0.07978291E+02 0.01576113E+00-0.05173243E-04 0.07443892E-08-0.03824978E-12 2
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--0.01783266E-06 0.08582996E-10 0.09713281E+05 0.01399271E+03 4
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- 0.02926640E+02 0.01487977E-01-0.05684761E-05 0.01009704E-08-0.06753351E-13 2
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- 0.03371185E+02 0.06039968E-01-0.02303854E-04 0.04062789E-08-0.02713144E-12 2
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- 0.01605608E-06-0.06093639E-10 0.02467526E+06 0.01379467E+03 4
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- 0.04441846E+02 0.07214271E-01-0.02495684E-04 0.03920565E-08-0.02298950E-12 2
- 0.01664221E+06-0.04275205E+01 0.03174204E+02 0.04715907E-01 0.01334867E-03 3
--0.01919685E-06 0.07487564E-10 0.01727270E+06 0.07557224E+02 4
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- 0.04977317E+02 0.09595519E-01-0.03547639E-04 0.06124299E-08-0.04029795E-12 2
- 0.09341219E+05-0.02962990E+02 0.06442606E+00 0.02749730E+00-0.02899451E-03 3
- 0.01745240E-06-0.04422282E-10 0.01045192E+06 0.02127789E+03 4
-N2H4(L) 90589H 4N 2 L 0300.00 0600.00 0450.00 1
- 0.08890683E+02 0.08330343E-01 0.04945549E-04-0.04909251E-08-0.03355824E-10 2
- 0.03032250E+05-0.03871433E+03 0.09047444E+02 0.09241592E-01 0.02263547E-04 3
--0.08952247E-07 0.01486863E-09 0.02970393E+05-0.03974034E+03 4
-N2O 121286N 2O 1 G 0300.00 5000.00 1000.00 1
- 0.04718977E+02 0.02873714E-01-0.01197496E-04 0.02250552E-08-0.01575337E-12 2
- 0.08165811E+05-0.01657250E+02 0.02543058E+02 0.09492193E-01-0.09792775E-04 3
- 0.06263845E-07-0.01901826E-10 0.08765100E+05 0.09511222E+02 4
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- 0.05398516E+02 0.02249478E-01-0.09577057E-05 0.01823193E-08-0.01284422E-12 2
- 0.01584851E+07-0.03733146E+02 0.03187228E+02 0.08350714E-01-0.07894549E-04 3
- 0.04597445E-07-0.01381075E-10 0.01591279E+07 0.07779426E+02 4
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- 0.01048220E+03 0.05972272E-01-0.02564044E-04 0.04916885E-08-0.03490969E-12 2
--0.02849989E+05-0.02612289E+03 0.03624593E+02 0.02474708E+00-0.02172875E-03 3
- 0.09927104E-07-0.02222817E-10-0.09128241E+04 0.09457174E+02 4
-N3 121286N 3 G 0300.00 5000.00 1000.00 1
- 0.05208505E+02 0.02444507E-01-0.01038941E-04 0.01977417E-08-0.01395644E-12 2
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- 0.05045585E-07-0.01521248E-10 0.04863468E+06 0.08481757E+02 4
-NA 80792NA 1 G 0300.00 5000.00 1000.00 1
- 0.02574480E+02-0.01605880E-02 0.01250641E-05-0.04516576E-09 0.06941745E-13 2
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--0.01211123E-07 0.03890067E-11 0.01220642E+06 0.03841789E+02 4
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- 0.04030581E+02-0.01320419E-01 0.04136604E-05 0.05486936E-08-0.01916626E-11 2
--0.07899189E+04-0.01548589E+03 0.04682137E+02-0.03624112E-01 0.04776195E-04 3
--0.03871514E-07 0.01518150E-10-0.09807172E+04-0.01881830E+03 4
-NA+ 80792NA 1E -1 G 0300.00 5000.00 1000.00 1
- 0.02500252E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2
- 0.07260903E+06 0.03538490E+02 0.02500252E+02 0.00000000E+00 0.00000000E+00 3
- 0.00000000E+00 0.00000000E+00 0.07260904E+06 0.03538490E+02 4
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- 0.04480669E+02 0.02178011E-02-0.01102830E-06 0.02208498E-10-0.01614866E-14 2
- 0.01519313E+06 0.02073203E+02 0.04369675E+02 0.05850265E-02-0.03825359E-05 3
- 0.08752245E-09 0.02980178E-12 0.01521703E+06 0.02622521E+02 4
-NA2B4O7(S) 81292B 4NA 2O 7 S 0300.00 2000.00 1000.00 1
- 0.02061542E+03 0.01728323E+00-0.04016503E-04-0.07600982E-08 0.05580242E-11 2
--0.04014288E+07-0.01006093E+04 0.01430907E+02 0.01167214E+01-0.02000861E-02 3
- 0.01698028E-05-0.05418888E-09-0.03982982E+07-0.01265829E+03 4
-NA2B6O10(S) 81292B 6NA 2O 10 S 0300.00 2000.00 1000.00 1
- 0.02989617E+03 0.03053411E+00-0.02146684E-04-0.04458443E-07 0.09406424E-11 2
--0.05638429E+07-0.01571271E+04 0.09347958E+02 0.08948274E+00-0.01024848E-02 3
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- 0.01253426E+03 0.03485206E-01-0.01426483E-04 0.02648455E-08-0.01838071E-12 2
--0.05033986E+05-0.03087649E+03 0.01092445E+03 0.09724206E-01-0.01190420E-03 3
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-NA2F2 80792F 2NA 2 G 0300.00 5000.00 1000.00 1
- 0.09265403E+02 0.09044011E-02-0.04233919E-05 0.08630666E-09-0.06408558E-13 2
--0.01047310E+07-0.01880290E+03 0.06422050E+02 0.09031559E-01-0.05593408E-04 3
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- 0.09347846E+02 0.05678318E-01-0.02077824E-04 0.03568716E-08-0.02342868E-12 2
--0.07634945E+06-0.01850110E+03 0.05441492E+02 0.01814821E+00-0.01733029E-03 3
- 0.09077551E-07-0.02055174E-10-0.07536770E+06 0.01240430E+02 4
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- 0.01258178E+03 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2
--0.04859891E+06-0.06066678E+03 0.01258178E+03 0.00000000E+00 0.00000000E+00 3
- 0.00000000E+00 0.00000000E+00-0.04859891E+06-0.06066677E+03 4
-NA2O(S) 81092NA 2O 1 S 0300.00 2000.00 1000.00 1
- 0.08804423E+02 0.03253428E-01-0.03530522E-05-0.04324117E-08 0.01394574E-11 2
--0.05257507E+06-0.04209654E+03 0.04776964E+02 0.01483269E+00-0.01052247E-03 3
- 0.01278469E-07 0.01046187E-10-0.05155651E+06-0.02156737E+03 4
-NA2O2 81092NA 2O 2 S 0300.00 2500.00 1000.00 1
- 0.01382402E+03-0.03556455E-02 0.02837263E-05-0.09701692E-09 0.01205762E-12 2
--0.06583802E+06-0.06789536E+03 0.08035418E+02 0.05983777E-01 0.01935571E-03 3
--0.03410482E-06 0.01439706E-09-0.06395152E+06-0.03604480E+03 4
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- 0.01506456E+03 0.04508233E-01-0.02011474E-04 0.03963989E-08-0.02871466E-12 2
--0.01296053E+07-0.04683857E+03 0.05752581E+02 0.02964118E+00-0.02035211E-03 3
--0.01073243E-07 0.03960597E-10-0.01271767E+07 0.01016246E+02 4
-NA2SO4(D) 81092NA 2O 4S 1 S 0300.00 1500.00 1000.00 1
- 0.01062092E+03 0.01179912E+00 0.03608537E-04-0.03424054E-09-0.09650399E-11 2
--0.01684493E+07-0.04191208E+03 0.01187237E+03 0.04287018E+00-0.09072926E-03 3
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- 0.01711668E+03 0.05878399E-01 0.01196697E-04 0.01676018E-08-0.02640822E-11 2
--0.01714447E+07-0.07997372E+03 0.01674756E+03 0.01133662E+00-0.01526634E-03 3
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- 0.03701786E+03 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2
--0.01854858E+07-0.02084472E+04 0.01413394E+03-0.01694491E+00 0.09403022E-03 3
--0.07815722E-06 0.02395583E-09-0.01707247E+07-0.06037737E+03 4
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- 0.02590382E+03 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2
--0.01779857E+07-0.01365608E+04 0.05917499E+02 0.04507074E+00-0.05672574E-03 3
- 0.04596655E-06-0.01432523E-09-0.01702527E+07-0.02694892E+03 4
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- 0.02590382E+03 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2
--0.01780169E+07-0.01366284E+04 0.05917499E+02 0.04507074E+00-0.05672574E-03 3
- 0.04596655E-06-0.01432523E-09-0.01702840E+07-0.02701654E+03 4
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- 0.02863182E+03 0.08169580E-01 0.01787040E-05-0.09984084E-08 0.01787581E-11 2
--0.02473307E+07-0.01246570E+04 0.02610594E+03 0.09148861E-01 0.09743193E-04 3
--0.01296166E-06 0.04124132E-10-0.02462808E+07-0.01099689E+04 4
-NA3F6AL(S) 81292AL 1F 6NA 3 S 0300.00 1200.00 1000.00 1
- 0.01867366E+03 0.02426805E+00 0.01311169E-04-0.01223061E-06 0.06326451E-10 2
--0.04056682E+07-0.08492075E+03 0.01182130E+03 0.07831376E+00-0.01387551E-02 3
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- 0.08204329E+02 0.01008304E+00-0.01032261E-04-0.02815504E-07 0.09005147E-11 2
--0.02614390E+06-0.03790153E+03 0.08076391E+02 0.05407829E-01 0.01208139E-03 3
--0.01450540E-06 0.04279918E-10-0.02580298E+06-0.03584760E+03 4
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- 0.07449052E+02 0.02730088E-01-0.01165145E-04 0.02226924E-08-0.01578063E-12 2
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- 0.07820448E+02 0.06702746E-01-0.01488126E-04-0.01033983E-07 0.04130615E-11 2
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--0.01611608E-08 0.02489549E-11-0.01857889E+06 0.05343556E+02 4
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- 0.07498742E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2
--0.04305332E+06-0.03017306E+03 0.07498742E+02 0.00000000E+00 0.00000000E+00 3
- 0.00000000E+00 0.00000000E+00-0.04305333E+06-0.03017306E+03 4
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- 0.05741811E+02 0.01766697E-01-0.01899553E-05 0.01473021E-09 0.01715605E-12 2
--0.04526151E+06-0.02279248E+03 0.04706446E+02 0.08010188E-01-0.01346175E-03 3
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- 0.04393820E+02 0.02153336E-02-0.06198756E-06 0.01266879E-09-0.09427806E-14 2
--0.02315864E+06 0.02486064E+02 0.03953003E+02 0.01514187E-01-0.09819465E-05 3
--0.02807090E-08 0.03543574E-11-0.02305831E+06 0.04701214E+02 4
-NACL(S) 81092CL 1NA 1 S 0300.00 1500.00 1000.00 1
- 0.07639640E+02-0.03933726E-01 0.02071020E-04 0.04233998E-07-0.02204761E-10 2
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-NACL4AL(S) 81292AL 1CL 4NA 1 S 0300.00 2000.00 1000.00 1
- 0.02138498E+03 0.03252454E-01-0.01769716E-05-0.07072990E-08 0.01928080E-11 2
--0.01447874E+07-0.01021539E+04 0.01588411E+03 0.04527768E-01 0.02409928E-03 3
--0.03108224E-06 0.01051706E-09-0.01424874E+07-0.07002475E+03 4
-NACN 81092C 1N 1NA 1 G 0300.00 5000.00 1000.00 1
- 0.05791865E+02 0.01708993E-01-0.06965832E-05 0.01288980E-08-0.08921502E-13 2
- 0.09496355E+05-0.04320624E+02 0.05123989E+02 0.04411283E-01-0.05682223E-04 3
- 0.04664804E-07-0.01593603E-10 0.09657925E+05-0.01032367E+02 4
-NACN(S) 81292C 1N 1NA 1 S 0300.00 2000.00 1000.00 1
- 0.08137501E+02 0.03044670E-02-0.01811052E-05 0.08281245E-09-0.01435891E-12 2
--0.01334049E+06-0.03217693E+03 0.08239171E+02-0.05281579E-03 0.03829305E-05 3
--0.03800801E-08 0.01401136E-11-0.01336670E+06-0.03268830E+03 4
-NAF 80792F 1NA 1 G 0300.00 5000.00 1000.00 1
- 0.04289078E+02 0.03377828E-02-0.01184403E-05 0.02398348E-09-0.01772778E-13 2
--0.03626513E+06 0.01538309E+02 0.03532346E+02 0.02495132E-01-0.01587195E-04 3
--0.04836335E-08 0.05739804E-11-0.03608573E+06 0.05367920E+02 4
-NAF2- 81092F 2NA 1E 1 G 0300.00 5000.00 1000.00 1
- 0.07032279E+02 0.05655084E-02-0.02615340E-05 0.05285863E-09-0.03900402E-13 2
--0.08272088E+06-0.01028459E+03 0.05382830E+02 0.05231638E-01-0.03350411E-04 3
--0.01169983E-07 0.01291137E-10-0.08232816E+06-0.01928436E+02 4
-NAF4AL 81092AL 1F 4NA 1 G 0300.00 5000.00 1000.00 1
- 0.01407161E+03 0.02285303E-01-0.01043457E-04 0.02090484E-08-0.01532874E-12 2
--0.02260449E+07-0.04013149E+03 0.08103421E+02 0.01881143E+00-0.01205279E-03 3
--0.03477927E-07 0.04123038E-10-0.02245760E+07-0.09731781E+02 4
-NAH 80792H 1NA 1 G 0300.00 5000.00 1000.00 1
- 0.03818649E+02 0.08597439E-02-0.03202059E-05 0.06146711E-09-0.04364567E-13 2
- 0.01368120E+06 0.04367959E+01 0.02864363E+02 0.03308582E-01-0.02753919E-04 3
- 0.01399522E-07-0.04032581E-11 0.01396756E+06 0.05450493E+02 4
-NAI(S) 81292I 1NA 1 S 0300.00 2000.00 1000.00 1
- 0.05987605E+02 0.01342139E-01-0.03807255E-06 0.01660138E-09-0.06066889E-13 2
--0.03648630E+06-0.02270427E+03 0.05407032E+02 0.04235908E-01-0.05679955E-04 3
- 0.04941357E-07-0.01602135E-10-0.03638396E+06-0.02000921E+03 4
-NAO 80792NA 1O 1 G 0300.00 5000.00 1000.00 1
- 0.04349803E+02 0.02849959E-02-0.08615992E-06 0.01754054E-09-0.01301677E-13 2
- 0.08731694E+05 0.02618339E+02 0.03765728E+02 0.01980031E-01-0.01256303E-04 3
--0.03909831E-08 0.04664039E-11 0.08866889E+05 0.05562273E+02 4
-NAO- 80792NA 1O 1E 1 G 0300.00 5000.00 1000.00 1
- 0.04343846E+02 0.02955424E-02-0.08923111E-06 0.01813572E-09-0.01343290E-13 2
--0.01592823E+06 0.01245911E+02 0.03740064E+02 0.02044313E-01-0.01291719E-04 3
--0.04080754E-08 0.04823669E-11-0.01578820E+06 0.04290303E+02 4
-NAO2(S) 81092NA 1O 2 S 0300.00 2000.00 1000.00 1
- 0.07379480E+02 0.04377048E-01 0.06355202E-05-0.03238946E-08 0.06014399E-12 2
--0.03376432E+06-0.02946090E+03 0.07236605E+02 0.04751740E-01 0.03458707E-05 3
--0.02971627E-08 0.09124652E-12-0.03372514E+06-0.02872050E+03 4
-NAO2AL(S) 81292AL 1NA 1O 2 S 0300.00 3000.00 1000.00 1
- 0.09963634E+02 0.02329677E-01-0.08188510E-07 0.02070425E-09-0.02306699E-12 2
--0.01394255E+07-0.04932653E+03 0.03669741E+02 0.02226343E+00-0.01558734E-03 3
--0.03446683E-07 0.05383614E-10-0.01381199E+07-0.01818990E+03 4
-NAOH 80792H 1NA 1O 1 G 0300.00 5000.00 1000.00 1
- 0.05527852E+02 0.01420623E-01-0.04439615E-05 0.06635639E-09-0.03866820E-13 2
--0.02545869E+06-0.04374785E+02 0.04727895E+02 0.05001262E-01-0.04534391E-04 3
- 0.07051240E-08 0.06671123E-11-0.02537947E+06-0.07649678E+01 4
-NAOH(L) 81092H 1NA 1O 1 L 0300.00 2500.00 1000.00 1
- 0.01061400E+03-0.03116447E-02-0.02964198E-05 0.05475463E-09 0.01021178E-12 2
--0.05327943E+06-0.05120959E+03 0.01079389E+03-0.08545728E-02 0.03780039E-05 3
--0.03848777E-08 0.01384542E-11-0.05332840E+06-0.05213201E+03 4
-NAOH+ 80792H 1NA 1O 1E -1G 0300.00 5000.00 1000.00 1
- 0.05570452E+02 0.01387979E-01-0.04311444E-05 0.06372652E-09-0.03648954E-13 2
- 0.07985595E+06-0.02878876E+02 0.04974624E+02 0.04424591E-01-0.04296418E-04 3
- 0.01067747E-07 0.04168198E-11 0.07988680E+06-0.03068088E+01 4
-NCN 103190C 1N 2 G 0300.00 4000.00 1500.00 1
- 0.06652121E+02 0.06108034E-02-0.01389727E-05 0.02695549E-10 0.01669944E-13 2
- 0.05172403E+06-0.01138517E+03 0.03101270E+02 0.09981674E-01-0.09920701E-04 3
- 0.04758919E-07-0.08968626E-11 0.05285757E+06 0.07317579E+02 4
-NCO 110193C 1N 1O 1 G 0300.00 4000.00 1400.00 1
- 0.06072346E+02 0.09227829E-02-0.09845574E-06-0.04764123E-09 0.09090445E-13 2
- 0.01359820E+06-0.08507293E+02 0.03359593E+02 0.05393239E-01-0.08144585E-05 3
--0.01912868E-07 0.07836794E-11 0.01462809E+06 0.06549694E+02 4
-NF 121286N 1F 1 G 0300.00 5000.00 1000.00 1
- 0.03862177E+02 0.07551806E-02-0.03044943E-05 0.05874447E-09-0.04187479E-13 2
- 0.02867243E+06 0.03457233E+02 0.02871947E+02 0.03312193E-01-0.02691159E-04 3
- 0.01121951E-07-0.02475131E-11 0.02896257E+06 0.08640247E+02 4
-NFO 121286N 1F 1O 1 G 0300.00 5000.00 1000.00 1
- 0.05174520E+02 0.01938472E-01-0.08222701E-05 0.01564291E-08-0.01104497E-12 2
--0.09670935E+05-0.05352461E+01 0.03352307E+02 0.07229966E-01-0.06951137E-04 3
- 0.03828526E-07-0.01023558E-10-0.09167035E+05 0.08854189E+02 4
-NFO2 121286N 1F 1O 2 G 0300.00 5000.00 1000.00 1
- 0.06816857E+02 0.03462640E-01-0.01492216E-04 0.02869665E-08-0.02041857E-12 2
--0.01560262E+06-0.09320129E+02 0.02447529E+02 0.01544110E+00-0.01300595E-03 3
- 0.04856383E-07-0.06852266E-11-0.01439400E+06 0.01328360E+03 4
-NH 31387H 1N 1 G 0300.00 5000.00 1000.00 1
- 0.02760249E+02 0.01375346E-01-0.04451914E-05 0.07692792E-09-0.05017592E-13 2
- 0.04207828E+06 0.05857199E+02 0.03339758E+02 0.01253009E-01-0.03491646E-04 3
- 0.04218812E-07-0.01557618E-10 0.04185047E+06 0.02507181E+02 4
-NH2 121686N 1H 2 G 0300.00 5000.00 1000.00 1
- 0.02961311E+02 0.02932699E-01-0.09063600E-05 0.01617257E-08-0.01204200E-12 2
- 0.02191977E+06 0.05777878E+02 0.03432493E+02 0.03299540E-01-0.06613600E-04 3
- 0.08590947E-07-0.03572047E-10 0.02177228E+06 0.03090111E+02 4
-NH3 121386N 1H 3 G 0300.00 5000.00 1000.00 1
- 0.02461904E+02 0.06059166E-01-0.02004977E-04 0.03136003E-08-0.01938317E-12 2
--0.06493270E+05 0.07472097E+02 0.02204352E+02 0.01011476E+00-0.01465265E-03 3
- 0.01447235E-06-0.05328509E-10-0.06525488E+05 0.08127138E+02 4
-NNH 120186N 2H 1 G 0250.00 4000.00 1000.00 1
- 0.04415342E+02 0.01614388E-01-0.01632894E-05-0.08559846E-09 0.01614791E-12 2
- 0.02788029E+06 0.09042888E+01 0.03501344E+02 0.02053587E-01 0.07170410E-05 3
- 0.04921348E-08-0.09671170E-11 0.02833347E+06 0.06391837E+02 4
-NO 121286N 1O 1 G 0300.00 5000.00 1000.00 1
- 0.03245435E+02 0.01269138E-01-0.05015890E-05 0.09169283E-09-0.06275419E-13 2
- 0.09800840E+05 0.06417294E+02 0.03376542E+02 0.01253063E-01-0.03302751E-04 3
- 0.05217810E-07-0.02446263E-10 0.09817961E+05 0.05829590E+02 4
-NO+ 121286N 1O 1E -1 G 0300.00 5000.00 1000.00 1
- 0.02914889E+02 0.01499335E-01-0.05727972E-05 0.01017777E-08-0.06825390E-13 2
- 0.01181869E+07 0.06844346E+02 0.03297349E+02 0.01422890E-01-0.04007441E-04 3
- 0.05670551E-07-0.02446972E-10 0.01180834E+07 0.04749948E+02 4
-NO2 121286N 1O 2 G 0300.00 5000.00 1000.00 1
- 0.04682859E+02 0.02462429E-01-0.01042259E-04 0.01976902E-08-0.01391717E-12 2
- 0.02261292E+05 0.09885985E+01 0.02670600E+02 0.07838501E-01-0.08063865E-04 3
- 0.06161715E-07-0.02320150E-10 0.02896291E+05 0.01161207E+03 4
-NO2- 121286N 1O 2E 1 G 0300.00 5000.00 1000.00 1
- 0.05043114E+02 0.02166428E-01-0.09455454E-05 0.01816314E-08-0.01238394E-12 2
--0.02621554E+06-0.01445905E+02 0.02448586E+02 0.08982507E-01-0.07853431E-04 3
- 0.03927277E-07-0.01071694E-10-0.02545097E+06 0.01213060E+03 4
-NO3 121286N 1O 3 G 0300.00 5000.00 1000.00 1
- 0.07120307E+02 0.03246228E-01-0.01431613E-04 0.02797053E-08-0.02013008E-12 2
- 0.05864479E+05-0.01213730E+03 0.01221076E+02 0.01878797E+00-0.01344321E-03 3
- 0.01274601E-07 0.01354060E-10 0.07473144E+05 0.01840203E+03 4
-O 120186O 1 G 0300.00 5000.00 1000.00 1
- 0.02542060E+02-0.02755062E-03-0.03102803E-07 0.04551067E-10-0.04368052E-14 2
- 0.02923080E+06 0.04920308E+02 0.02946429E+02-0.01638166E-01 0.02421032E-04 3
--0.01602843E-07 0.03890696E-11 0.02914764E+06 0.02963995E+02 4
-O+ 121286O 1E -1 G 0300.00 5000.00 1000.00 1
- 0.02501869E+02-0.06107262E-04 0.07324307E-07-0.03438353E-10 0.05506408E-14 2
- 0.01879553E+07 0.04372827E+02 0.02499273E+02 0.05820598E-04-0.01120922E-06 3
- 0.08232109E-10-0.01916378E-13 0.01879557E+07 0.04384826E+02 4
-O- 90589O 1E 1 G 0300.00 5000.00 1000.00 1
- 0.02559581E+02-0.07147888E-03 0.03301804E-06-0.06660944E-10 0.04900727E-14 2
- 0.01148935E+06 0.04426187E+02 0.02747263E+02-0.05724860E-02 0.02712548E-05 3
- 0.02691512E-08-0.02002357E-11 0.01144395E+06 0.03469852E+02 4
-O2 121386O 2 G 0300.00 5000.00 1000.00 1
- 0.03697578E+02 0.06135197E-02-0.01258842E-05 0.01775281E-09-0.01136435E-13 2
--0.01233930E+05 0.03189166E+02 0.03212936E+02 0.01127486E-01-0.05756150E-05 3
- 0.01313877E-07-0.08768554E-11-0.01005249E+05 0.06034738E+02 4
-O2- 121286O 2E 1 G 0300.00 5000.00 1000.00 1
- 0.03883013E+02 0.07407872E-02-0.02961776E-05 0.05724305E-09-0.04086548E-13 2
--0.07121644E+05 0.02658212E+02 0.02872292E+02 0.03359716E-01-0.02664886E-04 3
- 0.09807524E-08-0.01670957E-11-0.06829094E+05 0.07938373E+02 4
-O3 121286O 3 G 0300.00 5000.00 1000.00 1
- 0.05429371E+02 0.01820380E-01-0.07705607E-05 0.01499293E-08-0.01075563E-12 2
- 0.01523527E+06-0.03266387E+02 0.02462609E+02 0.09582781E-01-0.07087359E-04 3
- 0.01363368E-07 0.02969647E-11 0.01606152E+06 0.01214187E+03 4
-OC(OH)2 103190C 1H 2O 3 G 0300.00 4000.00 1500.00 1
- 0.01143196E+03 0.02555103E-01-0.04326538E-05-0.05781341E-09 0.01545461E-12 2
--0.07904865E+06-0.03657201E+03 0.03540332E+01 0.03042528E+00-0.02939616E-03 3
- 0.01452934E-06-0.02906245E-10-0.07522630E+06 0.02250923E+03 4
-OCHCHO 103190C 2H 2O 2 G 0300.00 4000.00 1500.00 1
- 0.01056843E+03 0.02907353E-01-0.03452401E-05-0.01037593E-08 0.02042135E-12 2
--0.02952623E+06-0.03104084E+03 0.01863564E+02 0.02298297E+00-0.01917997E-03 3
- 0.08558604E-07-0.01612346E-10-0.02634847E+06 0.01601674E+03 4
-OCHNNHO 103190C 1H 2N 2O 2G 0300.00 4000.00 1500.00 1
- 0.01241397E+03 0.04091551E-01-0.04547841E-05-0.01752324E-08 0.03271472E-12 2
--0.06754774E+05-0.04078722E+03 0.01405275E+02 0.02776281E+00-0.02088466E-03 3
- 0.08550259E-07-0.01543486E-10-0.02537631E+05 0.01937723E+03 4
-OH 121286O 1H 1 G 0300.00 5000.00 1000.00 1
- 0.02882730E+02 0.01013974E-01-0.02276877E-05 0.02174684E-09-0.05126305E-14 2
- 0.03886888E+05 0.05595712E+02 0.03637266E+02 0.01850910E-02-0.01676165E-04 3
- 0.02387203E-07-0.08431442E-11 0.03606782E+05 0.01358860E+02 4
-OH+ 121286O 1H 1E -1 G 0300.00 5000.00 1000.00 1
- 0.02719059E+02 0.01508571E-01-0.05029369E-05 0.08261952E-09-0.04947453E-13 2
- 0.01576341E+07 0.06234536E+02 0.03326979E+02 0.01345786E-01-0.03777168E-04 3
- 0.04687750E-07-0.01780982E-10 0.01574029E+07 0.02744042E+02 4
-OH- 121286O 1H 1E 1 G 0300.00 5000.00 1000.00 1
- 0.02846205E+02 0.01041835E-01-0.02416851E-05 0.02483215E-09-0.07775605E-14 2
--0.01807280E+06 0.04422712E+02 0.03390038E+02 0.07922381E-02-0.01943430E-04 3
- 0.02001770E-07-0.05702087E-11-0.01830494E+06 0.01249892E+02 4
-ONHNHO 103190H 2N 2O 2 G 0300.00 4000.00 1500.00 1
- 0.01005510E+03 0.03525461E-01-0.03868362E-05-0.01298654E-08 0.02398500E-12 2
- 0.07381692E+05-0.02950581E+03 0.07815142E+01 0.02605711E+00-0.02264714E-03 3
- 0.01049925E-06-0.02012847E-10 0.01062778E+06 0.02017946E+03 4
-ONHNOH 103190H 2N 2O 2 G 0300.00 4000.00 1500.00 1
- 0.01120874E+03 0.02650303E-01-0.03760644E-05-0.06355768E-09 0.01466251E-12 2
--0.05721250E+05-0.03476475E+03 0.01053271E+02 0.02809676E+00-0.02637380E-03 3
- 0.01270757E-06-0.02478550E-10-0.02244769E+05 0.01937011E+03 4
-S 121286S 1 G 0300.00 5000.00 1000.00 1
- 0.02902148E+02-0.05484546E-02 0.02764576E-05-0.05017115E-09 0.03150685E-13 2
- 0.03249423E+06 0.03838471E+02 0.03187329E+02-0.01595776E-01 0.02005531E-04 3
--0.01507081E-07 0.04931282E-11 0.03242259E+06 0.02414441E+02 4
-S(L) 120186S 1 L 0388.36 2000.00 1000.00 1
- 0.03603667E+02 0.09903341E-02-0.01011441E-04 0.04053633E-08-0.05667914E-12 2
--0.08453839E+04-0.01634471E+03-0.01270631E+03 0.09072521E+00-0.01695179E-02 3
- 0.01307064E-05-0.03527615E-09 0.01234607E+05 0.05621016E+03 4
-S(S) 120186S 1 S 0300.00 0388.36 0388.36 1
- 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2
- 0.00000000E+00 0.00000000E+00-0.05063703E+02 0.02881935E-01-0.02133020E-03 3
- 0.08478786E-05-0.01734497E-07 0.07148263E+04 0.02871407E+03 4
-S+ 121286S 1E -1 G 0300.00 5000.00 1000.00 1
- 0.02404600E+02 0.02410909E-02-0.02041780E-05 0.06592945E-09-0.05756939E-13 2
- 0.01535223E+07 0.05924256E+02 0.02366101E+02 0.09130767E-02-0.02140284E-04 3
- 0.02076178E-07-0.07133859E-11 0.01535091E+07 0.05993094E+02 4
-S-TRIAZINE 41687C 3N 3H 3 G 0300.00 4000.00 1000.00 1
- 0.01303617E+03 0.07711820E-01-0.07724374E-05-0.04385191E-08 0.08298992E-12 2
- 0.02251663E+06-0.04777676E+03 0.04493492E+01 0.02728306E+00 0.02309305E-04 3
--0.01496844E-06 0.04546753E-10 0.02703032E+06 0.02178518E+03 4
-S2 121386S 2 G 0300.00 5000.00 1000.00 1
- 0.03904443E+02 0.06925733E-02-0.01233097E-05 0.08783809E-11 0.01374662E-13 2
- 0.01425693E+06 0.04956834E+02 0.03157673E+02 0.03099480E-01-0.01560746E-04 3
--0.01357891E-07 0.01137444E-10 0.01439187E+06 0.08596062E+02 4
-SH 121286S 1H 1 G 0300.00 5000.00 1000.00 1
- 0.03053810E+02 0.01258884E-01-0.04249169E-05 0.06929591E-09-0.04281691E-13 2
- 0.01588225E+06 0.05973551E+02 0.04133327E+02-0.03787893E-02-0.02777854E-04 3
- 0.05370112E-07-0.02394006E-10 0.01555862E+06 0.01611535E+01 4
-SI 32989SI 1 G 0300.00 4000.00 1000.00 1
- 0.02775846E+02-0.06213257E-02 0.04843696E-05-0.01275615E-08 0.01134482E-12 2
- 0.05339791E+06 0.04543298E+02 0.03113515E+02-0.02330991E-01 0.03518531E-04 3
--0.02417573E-07 0.06391902E-11 0.05335062E+06 0.03009719E+02 4
-SI(CH3)2 61991H 6C 2SI 1 G 0300.00 2500.00 1500.00 1
- 0.01092572E+03 0.07986807E-01-0.09096208E-06-0.01014552E-07 0.02037989E-11 2
- 0.01132561E+06-0.02834187E+03 0.02308663E+02 0.02773810E+00-0.01799333E-03 3
- 0.06733023E-07-0.01154743E-10 0.01442892E+06 0.01819319E+03 4
-SI(CH3)3 61991H 9C 3SI 1 G 0300.00 2500.00 1500.00 1
- 0.01536389E+03 0.01242119E+00-0.01189769E-05-0.01630302E-07 0.03308576E-11 2
--0.05218398E+05-0.05088962E+03 0.03907073E+02 0.03734813E+00-0.02072025E-03 3
- 0.06180575E-07-0.08429605E-11-0.01002462E+05 0.01138100E+03 4
-SI(CH3)3CH2 61991H 11C 4SI 1 G 0300.00 2500.00 1500.00 1
- 0.02061565E+03 0.01408136E+00-0.01497876E-05-0.01748111E-07 0.03468780E-11 2
--0.01240235E+06-0.07596671E+03 0.05258771E+02 0.04995369E+00-0.03393958E-03 3
- 0.01367592E-06-0.02513506E-10-0.06886708E+05 0.06814728E+02 4
-SI(CH3)4 61991H 12C 4SI 1 G 0300.00 2500.00 1500.00 1
- 0.02023461E+03 0.01648004E+00-0.01486572E-05-0.02161245E-07 0.04377236E-11 2
--0.03702410E+06-0.07661021E+03 0.05009315E+02 0.04952953E+00-0.02745875E-03 3
- 0.08231031E-07-0.01137614E-10-0.03140314E+06 0.06187860E+02 4
-SI(L) 90589SI 1 L 0300.00 4500.00 1000.00 1
- 0.03271263E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2
- 0.04855058E+05-0.01329054E+03 0.03271263E+02 0.00000000E+00 0.00000000E+00 3
- 0.00000000E+00 0.00000000E+00 0.04855059E+05-0.01329054E+03 4
-SI(NH2)3 42489SI 1N 3H 6 G 0300.00 3000.00 1000.00 1
- 0.01406550E+03 0.07581744E-01-0.05168510E-05-0.06743626E-08 0.01397926E-11 2
--0.01414403E+06-0.04063874E+03 0.07598413E+02 0.02435266E+00-0.04296202E-04 3
--0.01756007E-06 0.01050102E-09-0.01265343E+06-0.07808647E+02 4
-SI(NH2)4 22790SI 1N 4H 8 G 0300.00 4000.00 1000.00 1
- 0.02032107E+03 0.08289798E-01-0.07077612E-05-0.04340724E-08 0.07747068E-12 2
--0.05389855E+06-0.07730464E+03 0.08454529E+02 0.03465772E+00-0.04266782E-04 3
--0.02495363E-06 0.01365466E-09-0.05061518E+06-0.01514301E+03 4
-SI(S) 90589SI 1 S 0300.00 2500.00 1000.00 1
- 0.02530275E+02 0.08522433E-02-0.03223469E-05 0.01280821E-08-0.01850849E-12 2
--0.08395197E+04-0.01251478E+03 0.05746418E+01 0.01026485E+00-0.01775346E-03 3
- 0.01457500E-06-0.04491292E-10-0.04969951E+04-0.03400243E+02 4
-SI2 111191SI 2 G 0300.00 4000.00 1500.00 1
- 0.04402888E+02 0.01154530E-02-0.06005177E-06 0.01469072E-09-0.01357408E-13 2
- 0.07199220E+06 0.02340066E+02 0.03439839E+02 0.03440171E-01-0.04437681E-04 3
- 0.02559961E-07-0.05474618E-11 0.07222934E+06 0.07148545E+02 4
-SI2C 112989C 1SI 2 G 0300.00 5000.00 1000.00 1
- 0.06334110E+02 0.01210252E-01-0.06798289E-05 0.02244433E-08-0.02280178E-12 2
- 0.06227189E+06-0.07770097E+02 0.04157246E+02 0.07031825E-01-0.07263033E-04 3
- 0.04633583E-07-0.01493448E-10 0.06292421E+06 0.03635126E+02 4
-SI2CL5 40992SI 2CL 5 G 0300.00 4000.00 1500.00 1
- 0.01800427E+03 0.05920529E-02-0.03159743E-05 0.07962538E-09-0.07553642E-13 2
--0.08208587E+06-0.04815622E+03 0.01218195E+03 0.02086930E+00-0.02723261E-03 3
- 0.01583266E-06-0.03404617E-10-0.08066122E+06-0.01913372E+03 4
-SI2CL5H 40992H 1SI 2CL 5 G 0300.00 4000.00 1500.00 1
- 0.01977366E+03 0.01346980E-01-0.04241463E-05 0.05994784E-09-0.03079337E-13 2
--0.01018307E+07-0.05982624E+03 0.01104810E+03 0.02909474E+00-0.03536307E-03 3
- 0.01998957E-06-0.04259074E-10-0.09941194E+06-0.01536396E+03 4
-SI2CL6 40992SI 2CL 6 G 0300.00 4000.00 1500.00 1
- 0.02095456E+03 0.06904584E-02-0.03881968E-05 0.01014163E-08-0.09844696E-13 2
--0.01238540E+07-0.06426893E+03 0.01372380E+03 0.02622361E+00-0.03460508E-03 3
- 0.02024950E-06-0.04371480E-10-0.01221143E+07-0.02834094E+03 4
-SI2F6 42489SI 2F 6 G 0300.00 3000.00 1000.00 1
- 0.01830048E+03 0.02868753E-01-0.04545577E-05-0.02497900E-08 0.06630658E-12 2
--0.02928185E+07-0.05760425E+03 0.09998134E+02 0.02170314E+00-0.03875092E-04 3
--0.01670252E-06 0.09407529E-10-0.02905483E+07-0.01422886E+03 4
-SI2H2 111191H 2SI 2 G 0300.00 4000.00 1500.00 1
- 0.08099063E+02 0.01294220E-01-0.02447198E-05-0.01449512E-09 0.05867240E-13 2
- 0.04476428E+06-0.01877323E+03 0.09668390E+01 0.01932959E+00-0.01825422E-03 3
- 0.08404012E-07-0.01537228E-10 0.04712241E+06 0.01907609E+03 4
-SI2H3 90589SI 2H 3 G 0300.00 2000.00 1000.00 1
- 0.07257627E+02 0.05123860E-01-0.07633465E-05-0.06662471E-08 0.02053053E-11 2
- 0.05062055E+06-0.01031413E+03 0.03335404E+02 0.02155615E+00-0.02933937E-03 3
- 0.02287785E-06-0.07272827E-10 0.05146157E+06 0.08656853E+02 4
-SI2H5 90589SI 2H 5 G 0300.00 2000.00 1000.00 1
- 0.08451010E+02 0.09286371E-01-0.01091183E-04-0.01442367E-07 0.04250825E-11 2
- 0.02472719E+06-0.01710331E+03 0.01578848E+02 0.03549383E+00-0.04267511E-03 3
- 0.03059177E-06-0.09360425E-10 0.02630550E+06 0.01672073E+03 4
-SI2H6 90589SI 2H 6 G 0300.00 2000.00 1000.00 1
- 0.08882090E+02 0.01151395E+00-0.01216216E-04-0.01905086E-07 0.05542379E-11 2
- 0.05967242E+05-0.02265611E+03 0.05301921E+01 0.04184056E+00-0.04685249E-03 3
- 0.03179525E-06-0.09484526E-10 0.07950598E+05 0.01880453E+03 4
-SI3 32989SI 3 G 0300.00 4000.00 1000.00 1
- 0.07021585E+02 0.06981538E-02-0.04818729E-05 0.01720754E-08-0.01927025E-12 2
- 0.07429956E+06-0.08179233E+02 0.05312161E+02 0.05920181E-01-0.05075225E-04 3
- 0.05303866E-08 0.07031630E-11 0.07469502E+06 0.04036452E+01 4
-SI3H8 90589SI 3H 8 G 0300.00 2000.00 1000.00 1
- 0.01342277E+03 0.01563632E+00-0.01936565E-04-0.02388330E-07 0.07120030E-11 2
- 0.09165887E+05-0.04163000E+03 0.06319791E+01 0.06412995E+00-0.07772444E-03 3
- 0.05486969E-06-0.01646097E-09 0.01209258E+06 0.02133318E+03 4
-SI3N4(A) 42589N 4SI 3 S 0300.00 3000.00 1000.00 1
- 0.09667453E+02 0.01192721E+00-0.01709282E-04-0.01084607E-07 0.02713018E-11 2
--0.09324734E+06-0.04556492E+03 0.06631384E+02 0.02293929E+00-0.02152876E-03 3
- 0.01766237E-06-0.06632215E-10-0.09241684E+06-0.03021795E+03 4
-SIC 112989C 1SI 1 G 0300.00 5000.00 1000.00 1
- 0.05024270E+02-0.04920894E-02 0.03109315E-05-0.06901344E-09 0.05215735E-13 2
- 0.08531026E+06-0.02478798E+02 0.02427812E+02 0.09551934E-01-0.02796633E-04 3
--0.01360012E-06 0.09196323E-10 0.08546512E+06 0.09179253E+02 4
-SIC(B) 112989C 1SI 1 S 0300.00 4000.00 1000.00 1
- 0.03548057E+02 0.03636817E-01-0.01734873E-04 0.03912869E-08-0.03337953E-12 2
--0.01018858E+06-0.01967253E+03-0.03551396E+01 0.01599881E+00-0.01393327E-03 3
- 0.03314914E-07 0.07825957E-11-0.09294352E+05-0.01515388E+01 4
-SIC2 112989C 2SI 1 G 0300.00 5000.00 1000.00 1
- 0.05753726E+02 0.02067546E-01-0.01132535E-04 0.03106456E-08-0.02799937E-12 2
- 0.07200461E+06-0.05294927E+02 0.03647725E+02 0.08765100E-01-0.01079869E-03 3
- 0.07974287E-07-0.02617042E-10 0.07258578E+06 0.05481050E+02 4
-SICCH 61991H 1C 2SI 1 G 0300.00 2500.00 1500.00 1
- 0.08229114E+02 0.01220783E-01-0.01179375E-05-0.03293923E-09 0.02957217E-13 2
- 0.06029046E+06-0.01793033E+03 0.03946147E+02 0.01353938E+00-0.01476061E-03 3
- 0.08141935E-07-0.01743041E-10 0.06163490E+06 0.04400106E+02 4
-SICH 61991H 1C 1SI 1 G 0300.00 2500.00 1500.00 1
- 0.06212049E+02 0.05590981E-02-0.07015929E-06 0.03497540E-09-0.01203199E-12 2
- 0.06044180E+06-0.08520574E+02 0.03822068E+02 0.07938745E-01-0.09707239E-04 3
- 0.05877454E-07-0.01338338E-10 0.06118631E+06 0.03835953E+02 4
-SICH2 61991H 2C 1SI 1 G 0300.00 2500.00 1500.00 1
- 0.06246250E+02 0.02147775E-01-0.06406396E-06-0.02067218E-08 0.03841890E-12 2
- 0.03490992E+06-0.08995611E+02 0.02794283E+02 0.01138805E+00-0.01041700E-03 3
- 0.05368052E-07-0.01132779E-10 0.03606279E+06 0.09246714E+02 4
-SICH3 61991H 3C 1SI 1 G 0300.00 2500.00 1500.00 1
- 0.06681751E+02 0.03837387E-01-0.06162348E-06-0.04678285E-08 0.09346313E-12 2
- 0.03472013E+06-0.01022379E+03 0.02444652E+02 0.01367883E+00-0.09266249E-04 3
- 0.03704818E-07-0.06763833E-11 0.03624755E+06 0.01263619E+03 4
-SICL 121986SI 1CL 1 G 0300.00 2000.00 1000.00 1
- 0.04258460E+02 0.04020317E-02-0.02888145E-05 0.01009777E-08-0.01411012E-12 2
- 0.01775614E+06 0.04134521E+02 0.03096406E+02 0.05738623E-01-0.09740903E-04 3
- 0.07643597E-07-0.02279179E-10 0.01796795E+06 0.09603212E+02 4
-SICL2 121986SI 1CL 2 G 0300.00 2000.00 1000.00 1
- 0.06491205E+02 0.08242384E-02-0.05767737E-05 0.01972405E-08-0.02713757E-12 2
--0.02232408E+06-0.03570531E+02 0.03826666E+02 0.01308296E+00-0.02234087E-03 3
- 0.01760742E-06-0.05267404E-10-0.02183869E+06 0.08965448E+02 4
-SICL2H2 121986SI 1H 2CL 2 G 0300.00 2000.00 1000.00 1
- 0.07727079E+02 0.05034189E-01-0.01095746E-04-0.04419587E-08 0.01631124E-11 2
--0.04028605E+06-0.01170816E+03 0.01100209E+02 0.03262362E+00-0.04691995E-03 3
- 0.03494565E-06-0.01036285E-09-0.03892087E+06 0.02022693E+03 4
-SICL3 121986SI 1CL 3 G 0300.00 2000.00 1000.00 1
- 0.09098097E+02 0.01405353E-01-0.09317005E-05 0.02982296E-08-0.03822011E-12 2
--0.04140193E+06-0.01455012E+03 0.04485691E+02 0.02241754E+00-0.03794196E-03 3
- 0.02973183E-06-0.08861335E-10-0.04055264E+06 0.07198771E+02 4
-SICL3CH2CH 10891C 2CL 3H 5SI 1G 0300.00 4000.00 1500.00 1
- 0.02087242E+03 0.05492755E-01-0.06829558E-05-0.01876697E-08 0.03787112E-12 2
--0.07972510E+06-0.07741949E+03 0.04624781E+02 0.04378379E+00-0.03850522E-03 3
- 0.01844376E-06-0.03709272E-10-0.07377043E+06 0.01029869E+03 4
-SICL3H 121986SI 1H 1CL 3 G 0300.00 2000.00 1000.00 1
- 0.09663121E+02 0.03563368E-01-0.01214911E-04-0.01609009E-09 0.05641710E-12 2
--0.06295557E+06-0.01894777E+03 0.02883770E+02 0.03308241E+00-0.05169241E-03 3
- 0.03949918E-06-0.01172104E-09-0.06163323E+06 0.01337466E+03 4
-SICL4 121986SI 1CL 4 G 0300.00 2000.00 1000.00 1
- 0.01170938E+03 0.01972092E-01-0.01269077E-04 0.03900188E-08-0.04756468E-12 2
--0.08347808E+06-0.02791153E+03 0.05252110E+02 0.03122067E+00-0.05254593E-03 3
- 0.04102707E-06-0.01219907E-09-0.08228177E+06 0.02575727E+02 4
-SICLH3 121986SI 1H 3CL 1 G 0300.00 2000.00 1000.00 1
- 0.05964238E+02 0.06278087E-01-0.08205635E-05-0.09280558E-08 0.02796643E-11 2
--0.01854309E+06-0.06395305E+02 0.05057173E+01 0.02703378E+00-0.03301474E-03 3
- 0.02302732E-06-0.06778703E-10-0.01730819E+06 0.02043167E+03 4
-SIF 42489SI 1F 1 G 0300.00 3000.00 1000.00 1
- 0.04120067E+02 0.03548821E-02-0.07200222E-06-0.02190434E-09 0.06764591E-13 2
--0.07561378E+05 0.02784246E+02 0.03144948E+02 0.02588557E-01-0.05795912E-05 3
--0.01807279E-07 0.01041172E-10-0.07294439E+05 0.07876774E+02 4
-SIF(NH2)2 22790SI 1F 1N 2H 4G 0300.00 4000.00 1000.00 1
- 0.01287944E+03 0.04598535E-01-0.04004441E-05-0.02374189E-08 0.04255211E-12 2
--0.05238279E+06-0.03653418E+03 0.07210094E+02 0.01764698E+00-0.02542060E-04 3
--0.01242214E-06 0.06989787E-10-0.05086706E+06-0.07024622E+02 4
-SIF(NH2)3 42489SI 1N 3H 6F 1G 0300.00 3000.00 1000.00 1
- 0.01611180E+03 0.08329222E-01-0.06023787E-05-0.07470125E-08 0.01570731E-11 2
--0.09137007E+06-0.05098123E+03 0.08388268E+02 0.02746622E+00-0.04455675E-04 3
--0.01955733E-06 0.01140721E-09-0.08947806E+06-0.01138178E+03 4
-SIF2 42489SI 1F 2 G 0300.00 3000.00 1000.00 1
- 0.06142470E+02 0.07807974E-02-0.01339312E-05-0.06264839E-09 0.01725138E-12 2
--0.07744042E+06-0.04712327E+02 0.03845345E+02 0.06038465E-01-0.01167732E-04 3
--0.04579554E-07 0.02607414E-10-0.07681634E+06 0.07272984E+02 4
-SIF2(NH2)2 42489SI 1N 2H 4F 2G 0300.00 3000.00 1000.00 1
- 0.01441477E+03 0.06110646E-01-0.04871145E-05-0.05455935E-08 0.01172714E-11 2
--0.01292757E+07-0.04308682E+03 0.07634268E+02 0.02315843E+00-0.04193827E-04 3
--0.01715351E-06 0.01016462E-09-0.01276410E+07-0.08419031E+02 4
-SIF2N 42489SI 1N 1F 2 G 0300.00 3000.00 1000.00 1
- 0.08687337E+02 0.01193488E-01-0.01992661E-05-0.09951334E-09 0.02704383E-12 2
--0.03463832E+06-0.01494053E+03 0.05102583E+02 0.09456606E-01-0.01819383E-04 3
--0.07309616E-07 0.04178902E-10-0.03367294E+06 0.03734424E+02 4
-SIF2NH2 42489SI 1N 1F 2H 2G 0300.00 3000.00 1000.00 1
- 0.09872415E+02 0.03722112E-01-0.03271338E-05-0.03321674E-08 0.07293692E-12 2
--0.08751628E+06-0.01899096E+03 0.05890444E+02 0.01285128E+00-0.01863556E-04 3
--0.08718963E-07 0.04848951E-10-0.08644527E+06 0.01756163E+02 4
-SIF3 42489SI 1F 3 G 0300.00 3000.00 1000.00 1
- 0.08524790E+02 0.01323792E-01-0.02104279E-05-0.01149504E-08 0.03055301E-12 2
--0.01223522E+07-0.01550234E+03 0.04662868E+02 0.01008788E+00-0.01805544E-04 3
--0.07769299E-07 0.04377852E-10-0.01212965E+07 0.04672966E+02 4
-SIF3NH 42489SI 1N 1F 3H 1G 0300.00 3000.00 1000.00 1
- 0.01163766E+03 0.02880769E-01-0.03357310E-05-0.02584594E-08 0.06162371E-12 2
--0.01295891E+07-0.02590718E+03 0.06013822E+02 0.01597729E+00-0.02791466E-04 3
--0.01214120E-06 0.06927415E-10-0.01280974E+07 0.03316771E+02 4
-SIF3NH2 42489SI 1N 1F 3H 2G 0300.00 3000.00 1000.00 1
- 0.01210964E+03 0.04383282E-01-0.04142245E-05-0.03989090E-08 0.08958954E-12 2
--0.01641768E+07-0.03046928E+03 0.06229403E+02 0.01778015E+00-0.02612304E-04 3
--0.01267243E-06 0.07044556E-10-0.01625849E+07 0.02045441E+01 4
-SIF3NHSIH3 42489SI 2N 1H 4F 3G 0300.00 3000.00 1000.00 1
- 0.01669941E+03 0.07789785E-01-0.08110570E-05-0.07650199E-08 0.01773956E-11 2
--0.01673412E+07-0.05080007E+03 0.06216046E+02 0.02939330E+00-0.02717745E-04 3
--0.01982878E-06 0.01002768E-09-0.01642282E+07 0.04858261E+02 4
-SIF3NSIH3 42489SI 2N 1H 3F 3G 0300.00 3000.00 1000.00 1
- 0.01599146E+03 0.06371086E-01-0.07256824E-05-0.06292690E-08 0.01495157E-11 2
--0.01331158E+07-0.04495265E+03 0.06404372E+02 0.02601982E+00-0.02491543E-04 3
--0.01769542E-06 0.08919883E-10-0.01302520E+07 0.06002945E+02 4
-SIF4 41389F 4SI 1 G 0300.00 2000.00 1000.00 1
- 0.09985301E+02 0.03532637E-01-0.01197378E-04-0.01036549E-08 0.08661585E-12 2
--0.01977200E+07-0.02472644E+03 0.02147416E+02 0.03402219E+00-0.04756874E-03 3
- 0.03252196E-06-0.08819304E-10-0.01960449E+07 0.01346315E+03 4
-SIFH3 42489SI 1F 1H 3 G 0300.00 3000.00 1000.00 1
- 0.06799678E+02 0.04747086E-01-0.04767067E-05-0.04814665E-08 0.01107761E-11 2
--0.04577024E+06-0.01261433E+03 0.02032190E+02 0.01341363E+00-0.02806381E-05 3
--0.07803291E-07 0.03337474E-10-0.04421627E+06 0.01318768E+03 4
-SIFNH 42489SI 1N 1F 1H 1G 0300.00 3000.00 1000.00 1
- 0.07163299E+02 0.01521325E-01-0.01536337E-05-0.01195933E-08 0.02684100E-12 2
--0.09065496E+05-0.06764144E+02 0.05390691E+02 0.06071319E-01-0.01359490E-04 3
--0.04267435E-07 0.02603154E-10-0.08644237E+05 0.02272065E+02 4
-SIFNH2 22790F 1SI 1N 1H 2G 0300.00 4000.00 1000.00 1
- 0.08017582E+02 0.03209103E-01-0.03361364E-05-0.01796537E-08 0.03385552E-12 2
--0.04313426E+06-0.01487024E+03 0.04214050E+02 0.01105423E+00-0.01014725E-04 3
--0.07143728E-07 0.03634923E-10-0.04200629E+06 0.05318890E+02 4
-SIH 121986SI 1H 1 G 0300.00 2000.00 1000.00 1
- 0.03110430E+02 0.01094946E-01 0.02898629E-06-0.02745104E-08 0.07051799E-12 2
- 0.04516898E+06 0.04193487E+02 0.03836010E+02-0.02702657E-01 0.06849070E-04 3
--0.05424184E-07 0.01472131E-10 0.04507593E+06 0.09350778E+01 4
-SIH2 42489SI 1H 2 G 0300.00 3000.00 1000.00 1
- 0.04142390E+02 0.02150191E-01-0.02190730E-05-0.02073725E-08 0.04741018E-12 2
- 0.03110484E+06 0.02930745E+01 0.03475092E+02 0.02139338E-01 0.07672306E-05 3
- 0.05217668E-08-0.09898824E-11 0.03147397E+06 0.04436585E+02 4
-SIH2CL 121986SI 1H 2CL 1 G 0300.00 2000.00 1000.00 1
- 0.05555902E+02 0.04046479E-01-0.06581751E-05-0.05027548E-08 0.01599110E-11 2
- 0.01912428E+05-0.01906890E+02 0.01699256E+02 0.01961407E+00-0.02622973E-03 3
- 0.01936417E-06-0.05846399E-10 0.02743662E+05 0.01683133E+03 4
-SIH2F 42489SI 1F 1H 2 G 0300.00 3000.00 1000.00 1
- 0.06020399E+02 0.03074040E-01-0.03248887E-05-0.03052243E-08 0.07098090E-12 2
--0.02347670E+06-0.05919595E+02 0.02782566E+02 0.09148257E-01-0.04186788E-05 3
--0.05388971E-07 0.02412133E-10-0.02244201E+06 0.01152854E+03 4
-SIH2F2 42489SI 1H 2F 2 G 0300.00 3000.00 1000.00 1
- 0.07997762E+02 0.03911538E-01-0.04222679E-05-0.03913812E-08 0.09171569E-12 2
--0.09682880E+06-0.01622400E+03 0.02701455E+02 0.01456545E+00-0.01163300E-04 3
--0.09685830E-07 0.04769591E-10-0.09522440E+06 0.01200689E+03 4
-SIH3 42489SI 1H 3 G 0300.00 3000.00 1000.00 1
- 0.05015906E+02 0.03732750E-01-0.03609053E-05-0.03729193E-08 0.08468490E-12 2
- 0.02190233E+06-0.04291368E+02 0.02946733E+02 0.06466764E-01 0.05991653E-05 3
--0.02218413E-07 0.03052670E-11 0.02270173E+06 0.07347948E+02 4
-SIH3NH2 42489SI 1N 1H 5 G 0300.00 3000.00 1000.00 1
- 0.08109945E+02 0.07215753E-01-0.06052251E-05-0.07086088E-08 0.01557864E-11 2
--0.08999782E+05-0.01651650E+03 0.02936348E+02 0.01674704E+00-0.03232859E-05 3
--0.09171970E-07 0.03979516E-10-0.07334716E+05 0.01141437E+03 4
-SIH3NHSIH3 42489SI 2N 1H 7 G 0300.00 3000.00 1000.00 1
- 0.01265296E+03 0.01066748E+00-0.01007336E-04-0.01081222E-07 0.02452364E-11 2
--0.01249721E+06-0.03441428E+03 0.02468750E+02 0.02940255E+00-0.06248179E-05 3
--0.01731462E-06 0.07545261E-10-0.09209690E+05 0.02059560E+03 4
-SIH3NSIH3 42489SI 2N 1H 6 G 0300.00 3000.00 1000.00 1
- 0.01201462E+03 0.09187517E-01-0.09159516E-05-0.09380967E-08 0.02156435E-11 2
- 0.01965066E+06-0.02978186E+03 0.02827574E+02 0.02580647E+00-0.04200478E-05 3
--0.01503859E-06 0.06388325E-10 0.02265351E+06 0.01997012E+03 4
-SIH3SIH2CH3 111391H 8C 1SI 2 G 0300.00 4000.00 1500.00 1
- 0.01886736E+03 0.06449996E-01-0.06896411E-05-0.02584789E-08 0.04830521E-12 2
--0.06620909E+05-0.07374424E+03 0.02132164E+02 0.04348657E+00-0.03495608E-03 3
- 0.01588231E-06-0.03150773E-10-0.02040937E+04 0.01752930E+03 4
-SIH4 121386SI 1H 4 G 0300.00 4000.00 1000.00 1
- 0.06893874E+02 0.04030501E-01-0.04183314E-05-0.02291395E-08 0.04384766E-12 2
- 0.01107037E+05-0.01749117E+03 0.02475167E+02 0.09003721E-01 0.02185394E-04 3
--0.02681423E-07-0.06621081E-11 0.02925488E+05 0.07751015E+02 4
-SIHCL2 121986SI 1H 1CL 2 G 0300.00 2000.00 1000.00 1
- 0.07229734E+02 0.02869206E-01-0.08849876E-05-0.07495866E-09 0.05752338E-12 2
--0.01971399E+06-0.07052663E+02 0.02368353E+02 0.02401088E+00-0.03717220E-03 3
- 0.02851998E-06-0.08530494E-10-0.01875884E+06 0.01614587E+03 4
-SIHF 42489SI 1F 1H 1 G 0300.00 3000.00 1000.00 1
- 0.05073509E+02 0.01533279E-01-0.01840659E-05-0.01440038E-08 0.03452517E-12 2
--0.01973880E+06-0.01079507E+02 0.03223728E+02 0.04981221E-01-0.03173051E-05 3
--0.02822231E-07 0.01247832E-10-0.01914168E+06 0.08906423E+02 4
-SIHF2 42489SI 1H 1F 2 G 0300.00 3000.00 1000.00 1
- 0.07216536E+02 0.02253240E-01-0.02737472E-05-0.02173460E-08 0.05255331E-12 2
--0.07280241E+06-0.09783487E+02 0.03377237E+02 0.01036607E+00-0.01239082E-04 3
--0.07267982E-07 0.03794989E-10-0.07168358E+06 0.01052189E+03 4
-SIHF3 42489SI 1H 1F 3 G 0300.00 3000.00 1000.00 1
- 0.09363567E+02 0.02947556E-01-0.03577633E-05-0.02858224E-08 0.06915729E-12 2
--0.01486074E+07-0.02169453E+03 0.03918053E+02 0.01463917E+00-0.01856070E-04 3
--0.01058200E-06 0.05617543E-10-0.01470439E+07 0.07024261E+02 4
-SIN 42489SI 1N 1 G 0300.00 3000.00 1000.00 1
- 0.04122909E+02 0.03521458E-02-0.07161081E-06-0.02154956E-09 0.06667571E-13 2
- 0.05683927E+06 0.02389838E+02 0.03149182E+02 0.02584376E-01-0.05804625E-05 3
--0.01805627E-07 0.01041095E-10 0.05710564E+06 0.07474389E+02 4
-SINH 42489SI 1N 1H 1 G 0300.00 3000.00 1000.00 1
- 0.04928801E+02 0.01628624E-01-0.01367197E-05-0.01390460E-08 0.02998969E-12 2
- 0.01767790E+06-0.02823472E+02 0.03166975E+02 0.05805823E-01-0.09524443E-05 3
--0.03991893E-07 0.02283188E-10 0.01813561E+06 0.06298440E+02 4
-SINH2 42489SI 1N 1H 2 G 0300.00 3000.00 1000.00 1
- 0.05186436E+02 0.03016656E-01-0.02165476E-05-0.02722658E-08 0.05706182E-12 2
- 0.02270508E+06-0.01242140E+02 0.03362770E+02 0.07261176E-01-0.08721233E-05 3
--0.04400014E-07 0.02419532E-10 0.02318446E+06 0.08223867E+02 4
-SN 121286S 1N 1 G 0300.00 5000.00 1000.00 1
- 0.03888287E+02 0.06778427E-02-0.02725309E-05 0.05135927E-09-0.03593836E-13 2
- 0.03044496E+06 0.04194291E+02 0.03407346E+02 0.01797887E-01-0.02018970E-04 3
- 0.02107857E-07-0.09527592E-11 0.03062373E+06 0.06821481E+02 4
-SO 121286S 1O 1 G 0300.00 5000.00 1000.00 1
- 0.04021078E+02 0.02584856E-02 0.08948142E-06-0.03580145E-09 0.03228430E-13 2
--0.07119620E+04 0.03452523E+02 0.03080401E+02 0.01803106E-01 0.06705022E-05 3
--0.02069005E-07 0.08514657E-11-0.03986163E+04 0.08581028E+02 4
-SO2 121286S 1O 2 G 0300.00 5000.00 1000.00 1
- 0.05254498E+02 0.01978545E-01-0.08204226E-05 0.01576383E-08-0.01120451E-12 2
--0.03756886E+06-0.01146056E+02 0.02911439E+02 0.08103022E-01-0.06906710E-04 3
- 0.03329016E-07-0.08777121E-11-0.03687882E+06 0.01111740E+03 4
-SO3 121286S 1O 3 G 0300.00 5000.00 1000.00 1
- 0.07050668E+02 0.03246560E-01-0.01408897E-04 0.02721535E-08-0.01942365E-12 2
--0.05020668E+06-0.01106443E+03 0.02575283E+02 0.01515092E+00-0.01229872E-03 3
- 0.04240257E-07-0.05266812E-11-0.04894411E+06 0.01219512E+03 4
-END
diff --git a/applications/test/readCHEMKINIII/CHEMKINdata/thermo_soot.dat b/applications/test/readCHEMKINIII/CHEMKINdata/thermo_soot.dat
deleted file mode 100644
index 7a9f2c3..0000000
--- a/applications/test/readCHEMKINIII/CHEMKINdata/thermo_soot.dat
+++ /dev/null
@@ -1,436 +0,0 @@
-THERMO ALL
- 298.000 1000.000 5000.000
-C70 T 6/93C 70 0 0 0G 200.000 6000.000 1000.00 1
- 0.10677602E+03 0.10200334E+00-0.39562455E-04 0.67122022E-08-0.41568097E-12 2
- 0.29769320E+06-0.59941734E+03-0.31366983E+02 0.33484410E+00 0.98587783E-04 3
--0.44663983E-06 0.22008836E-09 0.34260294E+06 0.14891614E+03 0.34822593E+06 4
-C60 T 6/93C 60 0 0 0G 200.000 6000.000 1000.00 1
- 0.99843418E+02 0.78857558E-01-0.30608799E-04 0.51957690E-08-0.32188408E-12 2
- 0.26670488E+06-0.54587488E+03-0.33579084E+02 0.42844440E+00-0.31712321E-03 3
- 0.47546257E-07 0.27677699E-10 0.30465122E+06 0.14832875E+03 0.31098790E+06 4
-C(S) P 4/83C 1 0 0 0S 200.000 5000.000 1000.00 1
- 0.14556924E+01 0.17170638E-02-0.69758410E-06 0.13528316E-09-0.96764905E-14 2
--0.69512804E+03-0.85256842E+01-0.31087207E+00 0.44035369E-02 0.19039412E-05 3
--0.63854697E-08 0.29896425E-11-0.10865079E+03 0.11138295E+01 4
-O L 1/90O 1 00 00 00G 200.000 3500.000 1000.000 1
- 2.56942078E+00-8.59741137E-05 4.19484589E-08-1.00177799E-11 1.22833691E-15 2
- 2.92175791E+04 4.78433864E+00 3.16826710E+00-3.27931884E-03 6.64306396E-06 3
--6.12806624E-09 2.11265971E-12 2.91222592E+04 2.05193346E+00 6.72540300E+03 4
-O2 TPIS89O 2 00 00 00G 200.000 3500.000 1000.000 1
- 3.28253784E+00 1.48308754E-03-7.57966669E-07 2.09470555E-10-2.16717794E-14 2
--1.08845772E+03 5.45323129E+00 3.78245636E+00-2.99673416E-03 9.84730201E-06 3
--9.68129509E-09 3.24372837E-12-1.06394356E+03 3.65767573E+00 8.68010400E+03 4
-H L 7/88H 1 00 00 00G 200.000 3500.000 1000.00 1
- 2.50000001E+00-2.30842973E-11 1.61561948E-14-4.73515235E-18 4.98197357E-22 2
- 2.54736599E+04-4.46682914E-01 2.50000000E+00 7.05332819E-13-1.99591964E-15 3
- 2.30081632E-18-9.27732332E-22 2.54736599E+04-4.46682853E-01 6.19742800E+03 4
-H2 TPIS78H 2 00 00 00G 200.000 3500.000 1000.00 1
- 3.33727920E+00-4.94024731E-05 4.99456778E-07-1.79566394E-10 2.00255376E-14 2
--9.50158922E+02-3.20502331E+00 2.34433112E+00 7.98052075E-03-1.94781510E-05 3
- 2.01572094E-08-7.37611761E-12-9.17935173E+02 6.83010238E-01 8.46810200E+03 4
-OH RUS 78O 1H 1 00 00G 200.000 3500.000 1000.000 1
- 3.09288767E+00 5.48429716E-04 1.26505228E-07-8.79461556E-11 1.17412376E-14 2
- 3.85865700E+03 4.47669610E+00 3.99201543E+00-2.40131752E-03 4.61793841E-06 3
--3.88113333E-09 1.36411470E-12 3.61508056E+03-1.03925458E-01 8.81310600E+03 4
-H2O L 8/89H 2O 1 00 00G 200.000 3500.000 1000.000 1
- 3.03399249E+00 2.17691804E-03-1.64072518E-07-9.70419870E-11 1.68200992E-14 2
--3.00042971E+04 4.96677010E+00 4.19864056E+00-2.03643410E-03 6.52040211E-06 3
--5.48797062E-09 1.77197817E-12-3.02937267E+04-8.49032208E-01 9.90409200E+03 4
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- 4.01721090E+00 2.23982013E-03-6.33658150E-07 1.14246370E-10-1.07908535E-14 2
- 1.11856713E+02 3.78510215E+00 4.30179801E+00-4.74912051E-03 2.11582891E-05 3
--2.42763894E-08 9.29225124E-12 2.94808040E+02 3.71666245E+00 1.00021620E+04 4
-H2O2 L 7/88H 2O 2 00 00G 200.000 3500.000 1000.000 1
- 4.16500285E+00 4.90831694E-03-1.90139225E-06 3.71185986E-10-2.87908305E-14 2
--1.78617877E+04 2.91615662E+00 4.27611269E+00-5.42822417E-04 1.67335701E-05 3
--2.15770813E-08 8.62454363E-12-1.77025821E+04 3.43505074E+00 1.11588350E+04 4
-C L11/88C 1 00 00 00G 200.000 3500.000 1000.000 1
- 2.49266888E+00 4.79889284E-05-7.24335020E-08 3.74291029E-11-4.87277893E-15 2
- 8.54512953E+04 4.80150373E+00 2.55423955E+00-3.21537724E-04 7.33792245E-07 3
--7.32234889E-10 2.66521446E-13 8.54438832E+04 4.53130848E+00 6.53589500E+03 4
-CH TPIS79C 1H 1 00 00G 200.000 3500.000 1000.000 1
- 2.87846473E+00 9.70913681E-04 1.44445655E-07-1.30687849E-10 1.76079383E-14 2
- 7.10124364E+04 5.48497999E+00 3.48981665E+00 3.23835541E-04-1.68899065E-06 3
- 3.16217327E-09-1.40609067E-12 7.07972934E+04 2.08401108E+00 8.62500000E+03 4
-CH2 L S/93C 1H 2 00 00G 200.000 3500.000 1000.000 1
- 2.87410113E+00 3.65639292E-03-1.40894597E-06 2.60179549E-10-1.87727567E-14 2
- 4.62636040E+04 6.17119324E+00 3.76267867E+00 9.68872143E-04 2.79489841E-06 3
--3.85091153E-09 1.68741719E-12 4.60040401E+04 1.56253185E+00 1.00274170E+04 4
-CH2* L S/93C 1H 2 00 00G 200.000 3500.000 1000.000 1
- 2.29203842E+00 4.65588637E-03-2.01191947E-06 4.17906000E-10-3.39716365E-14 2
- 5.09259997E+04 8.62650169E+00 4.19860411E+00-2.36661419E-03 8.23296220E-06 3
--6.68815981E-09 1.94314737E-12 5.04968163E+04-7.69118967E-01 9.93967200E+03 4
-CH3 L11/89C 1H 3 00 00G 200.000 3500.000 1000.000 1
- 2.28571772E+00 7.23990037E-03-2.98714348E-06 5.95684644E-10-4.67154394E-14 2
- 1.67755843E+04 8.48007179E+00 3.67359040E+00 2.01095175E-03 5.73021856E-06 3
--6.87117425E-09 2.54385734E-12 1.64449988E+04 1.60456433E+00 1.03663400E+04 4
-CH4 L 8/88C 1H 4 00 00G 200.000 3500.000 1000.000 1
- 7.48514950E-02 1.33909467E-02-5.73285809E-06 1.22292535E-09-1.01815230E-13 2
--9.46834459E+03 1.84373180E+01 5.14987613E+00-1.36709788E-02 4.91800599E-05 3
--4.84743026E-08 1.66693956E-11-1.02466476E+04-4.64130376E+00 1.00161980E+04 4
-CO TPIS79C 1O 1 00 00G 200.000 3500.000 1000.000 1
- 2.71518561E+00 2.06252743E-03-9.98825771E-07 2.30053008E-10-2.03647716E-14 2
--1.41518724E+04 7.81868772E+00 3.57953347E+00-6.10353680E-04 1.01681433E-06 3
- 9.07005884E-10-9.04424499E-13-1.43440860E+04 3.50840928E+00 8.67100000E+03 4
-CO2 L 7/88C 1O 2 00 00G 200.000 3500.000 1000.000 1
- 3.85746029E+00 4.41437026E-03-2.21481404E-06 5.23490188E-10-4.72084164E-14 2
--4.87591660E+04 2.27163806E+00 2.35677352E+00 8.98459677E-03-7.12356269E-06 3
- 2.45919022E-09-1.43699548E-13-4.83719697E+04 9.90105222E+00 9.36546900E+03 4
-HCO L12/89H 1C 1O 1 00G 200.000 3500.000 1000.000 1
- 2.77217438E+00 4.95695526E-03-2.48445613E-06 5.89161778E-10-5.33508711E-14 2
- 4.01191815E+03 9.79834492E+00 4.22118584E+00-3.24392532E-03 1.37799446E-05 3
--1.33144093E-08 4.33768865E-12 3.83956496E+03 3.39437243E+00 9.98945000E+03 4
-CH2O L 8/88H 2C 1O 1 00G 200.000 3500.000 1000.000 1
- 1.76069008E+00 9.20000082E-03-4.42258813E-06 1.00641212E-09-8.83855640E-14 2
--1.39958323E+04 1.36563230E+01 4.79372315E+00-9.90833369E-03 3.73220008E-05 3
--3.79285261E-08 1.31772652E-11-1.43089567E+04 6.02812900E-01 1.00197170E+04 4
-CH2OH GUNL93C 1H 3O 1 00G 200.000 3500.000 1000.0 1
- 3.69266569E+00 8.64576797E-03-3.75101120E-06 7.87234636E-10-6.48554201E-14 2
--3.24250627E+03 5.81043215E+00 3.86388918E+00 5.59672304E-03 5.93271791E-06 3
--1.04532012E-08 4.36967278E-12-3.19391367E+03 5.47302243E+00 1.18339080E+04 4
-CH3O 121686C 1H 3O 1 G 0300.00 3000.00 1000.00 1
- 0.03770799E+02 0.07871497E-01-0.02656384E-04 0.03944431E-08-0.02112616E-12 2
- 0.12783252E+03 0.02929575E+02 0.02106204E+02 0.07216595E-01 0.05338472E-04 3
--0.07377636E-07 0.02075610E-10 0.09786011E+04 0.13152177E+02 4
-CH3OH L 8/88C 1H 4O 1 00G 200.000 3500.000 1000.000 1
- 1.78970791E+00 1.40938292E-02-6.36500835E-06 1.38171085E-09-1.17060220E-13 2
--2.53748747E+04 1.45023623E+01 5.71539582E+00-1.52309129E-02 6.52441155E-05 3
--7.10806889E-08 2.61352698E-11-2.56427656E+04-1.50409823E+00 1.14352770E+04 4
-C2H L 1/91C 2H 1 00 00G 200.000 3500.000 1000.000 1
- 3.16780652E+00 4.75221902E-03-1.83787077E-06 3.04190252E-10-1.77232770E-14 2
- 6.71210650E+04 6.63589475E+00 2.88965733E+00 1.34099611E-02-2.84769501E-05 3
- 2.94791045E-08-1.09331511E-11 6.68393932E+04 6.22296438E+00 1.04544720E+04 4
-C2H2 L 1/91C 2H 2 00 00G 200.000 3500.000 1000.000 1
- 4.14756964E+00 5.96166664E-03-2.37294852E-06 4.67412171E-10-3.61235213E-14 2
- 2.59359992E+04-1.23028121E+00 8.08681094E-01 2.33615629E-02-3.55171815E-05 3
- 2.80152437E-08-8.50072974E-12 2.64289807E+04 1.39397051E+01 1.00058390E+04 4
-C2H3 L 2/92C 2H 3 00 00G 200.000 3500.000 1000.000 1
- 3.01672400E+00 1.03302292E-02-4.68082349E-06 1.01763288E-09-8.62607041E-14 2
- 3.46128739E+04 7.78732378E+00 3.21246645E+00 1.51479162E-03 2.59209412E-05 3
--3.57657847E-08 1.47150873E-11 3.48598468E+04 8.51054025E+00 1.05750490E+04 4
-C2H4 L 1/91C 2H 4 00 00G 200.000 3500.000 1000.000 1
- 2.03611116E+00 1.46454151E-02-6.71077915E-06 1.47222923E-09-1.25706061E-13 2
- 4.93988614E+03 1.03053693E+01 3.95920148E+00-7.57052247E-03 5.70990292E-05 3
--6.91588753E-08 2.69884373E-11 5.08977593E+03 4.09733096E+00 1.05186890E+04 4
-C2H5 L12/92C 2H 5 00 00G 200.000 3500.000 1000.000 1
- 1.95465642E+00 1.73972722E-02-7.98206668E-06 1.75217689E-09-1.49641576E-13 2
- 1.28575200E+04 1.34624343E+01 4.30646568E+00-4.18658892E-03 4.97142807E-05 3
--5.99126606E-08 2.30509004E-11 1.28416265E+04 4.70720924E+00 1.21852440E+04 4
-C2H6 L 8/88C 2H 6 00 00G 200.000 3500.000 1000.000 1
- 1.07188150E+00 2.16852677E-02-1.00256067E-05 2.21412001E-09-1.90002890E-13 2
--1.14263932E+04 1.51156107E+01 4.29142492E+00-5.50154270E-03 5.99438288E-05 3
--7.08466285E-08 2.68685771E-11-1.15222055E+04 2.66682316E+00 1.18915940E+04 4
-CH2CO L 5/90C 2H 2O 1 00G 200.000 3500.000 1000.000 1
- 4.51129732E+00 9.00359745E-03-4.16939635E-06 9.23345882E-10-7.94838201E-14 2
--7.55105311E+03 6.32247205E-01 2.13583630E+00 1.81188721E-02-1.73947474E-05 3
- 9.34397568E-09-2.01457615E-12-7.04291804E+03 1.22156480E+01 1.17977430E+04 4
-HCCO SRIC91H 1C 2O 1 G 0300.00 4000.00 1000.00 1
- 0.56282058E+01 0.40853401E-02-0.15934547E-05 0.28626052E-09-0.19407832E-13 2
- 0.19327215E+05-0.39302595E+01 0.22517214E+01 0.17655021E-01-0.23729101E-04 3
- 0.17275759E-07-0.50664811E-11 0.20059449E+05 0.12490417E+02 4
-HCCOH SRI91C 2O 1H 20 0G 300.000 5000.000 1000.G 1
- 0.59238291E+01 0.67923600E-02-0.25658564E-05 0.44987841E-09-0.29940101E-13 2
- 0.72646260E+04-0.76017742E+01 0.12423733E+01 0.31072201E-01-0.50866864E-04 3
- 0.43137131E-07-0.14014594E-10 0.80316143E+04 0.13874319E+02 4
-N2 121286N 2 G 0300.00 5000.00 1000.00 1
- 0.02926640E+02 0.14879768E-02-0.05684760E-05 0.10097038E-09-0.06753351E-13 2
--0.09227977E+04 0.05980528E+02 0.03298677E+02 0.14082404E-02-0.03963222E-04 3
- 0.05641515E-07-0.02444854E-10-0.10208999E+04 0.03950372E+02 4
-AR 120186AR 1 G 0300.00 5000.00 1000.00 1
- 0.02500000E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2
--0.07453750E+04 0.04366001E+02 0.02500000E+02 0.00000000E+00 0.00000000E+00 3
- 0.00000000E+00 0.00000000E+00-0.07453750E+04 0.04366001E+02 4
-C4H P 1/93C 4H 1 0 0G 300.000 3000.000 1
- 0.77697593E+01 0.49829976E-02-0.17628546E-05 0.28144284E-09-0.16689869E-13 2
- 0.94345900E+05-0.14165274E+02 0.13186295E+01 0.38582956E-01-0.71385623E-04 3
- 0.65356359E-07-0.22617666E-10 0.95456106E+05 0.15567583E+02 4
-C4H2 P 1/93C 4H 2 0 0G 300.000 3000.000 1
- 0.86637708E+01 0.67247189E-02-0.23593397E-05 0.37506380E-09-0.22230940E-13 2
- 0.53252275E+05-0.21093503E+02-0.39201030E+00 0.51937565E-01-0.91737340E-04 3
- 0.80471986E-07-0.26898218E-10 0.54845266E+05 0.20957794E+02 4
-C6H2 P 1/93C 6H 2 0 0G 300.000 3000.000 1
- 0.13226281E+02 0.73904302E-02-0.22715381E-05 0.25875217E-09-0.55356741E-14 2
- 0.80565258E+05-0.41201176E+02-0.15932624E+01 0.80530145E-01-0.14800649E-03 3
- 0.13300031E-06-0.45332313E-10 0.83273227E+05 0.27980873E+02 4
-C6H P 1/93C 6H 1 0 0G 300.000 3000.000 1
- 0.12370055E+02 0.52177699E-02-0.16885009E-05 0.25807149E-09-0.15472851E-13 2
- 0.12158739E+06-0.34952797E+02-0.25630299E+00 0.63793827E-01-0.11440118E-03 3
- 0.10136744E-06-0.34361855E-10 0.12408855E+06 0.24930750E+02 4
-C2O 121286C 2O 1 G 0300.00 5000.00 1000.00 1
- 0.04849809E+02 0.02947585E-01-0.01090729E-04 0.01792562E-08-0.01115758E-12 2
- 0.03282055E+06-0.06453226E+01 0.03368851E+02 0.08241803E-01-0.08765145E-04 3
- 0.05569262E-07-0.01540009E-10 0.03317081E+06 0.06713314E+02 4
-C3H2 121686C 3H 2 G 0300.00 5000.00 1000.00 1
- 0.06530853E+02 0.05870316E-01-0.01720777E-04 0.02127498E-08-0.08291910E-13 2
- 0.05115214E+06-0.01122728E+03 0.02691077E+02 0.01480366E+00-0.03250551E-04 3
--0.08644363E-07 0.05284878E-10 0.05219072E+06 0.08757391E+02 4
-C3H3 82489C 3H 3 G 0300.00 4000.00 1000.00 1
- 0.08831047E+02 0.04357195E-01-0.04109067E-05-0.02368723E-08 0.04376520E-12 2
- 0.03847420E+06-0.02177919E+03 0.04754200E+02 0.01108028E+00 0.02793323E-05 3
--0.05479212E-07 0.01949629E-10 0.03988883E+06 0.05854549E+01 4
-AC3H4 40687C 3H 4 G 0300.00 5000.00 1000.00 1
- 0.05729144E+02 0.01236804E+00-0.04805627E-04 0.08601364E-08-0.05812802E-12 2
- 0.02012984E+06-0.09448668E+02-0.02131969E+01 0.03358714E+00-0.03804870E-03 3
- 0.02745838E-06-0.08690044E-10 0.02162048E+06 0.02029393E+03 4
-PC3H4 40687C 3H 4 G 0300.00 5000.00 1000.00 1
- 0.05511034E+02 0.01246956E+00-0.04814165E-04 0.08573769E-08-0.05771561E-12 2
- 0.01961967E+06-0.01079475E+03 0.06271447E+01 0.03116179E+00-0.03747664E-03 3
- 0.02964118E-06-0.09987382E-10 0.02083493E+06 0.01346880E+03 4
-H2C4O 120189H 2C 4O 1 G 0300.00 4000.00 1000.00 1
- 0.01026888E+03 0.04896164E-01-0.04885081E-05-0.02708566E-08 0.05107013E-12 2
- 0.02346903E+06-0.02815985E+03 0.04810971E+02 0.01313999E+00 0.09865073E-05 3
--0.06120720E-07 0.01640003E-10 0.02545803E+06 0.02113424E+02 4
-C5H2 20587C 5H 2 G 0300.00 5000.00 1000.00 1
- 0.01132917E+03 0.07424057E-01-0.02628189E-04 0.04082541E-08-0.02301333E-12 2
- 0.07878706E+06-0.03617117E+03 0.03062322E+02 0.02709998E+00-0.01009170E-03 3
--0.01272745E-06 0.09167219E-10 0.08114969E+06 0.07071078E+02 4
-C5H3 20387C 5H 3 G 0300.00 5000.00 1000.00 1
- 0.01078762E+03 0.09539619E-01-0.03206745E-04 0.04733323E-08-0.02512135E-12 2
- 0.06392904E+06-0.03005444E+03 0.04328720E+02 0.02352480E+00-0.05856723E-04 3
--0.01215449E-06 0.07726478E-10 0.06588531E+06 0.04173259E+02 4
-C4H4 HW /94C 4H 4 0 0G 300.000 3000.000 1
- 0.66507092E+01 0.16129434E-01-0.71938875E-05 0.14981787E-08-0.11864110E-12 2
- 0.31195992E+05-0.97952118E+01-0.19152479E+01 0.52750878E-01-0.71655944E-04 3
- 0.55072423E-07-0.17286228E-10 0.32978504E+05 0.31419983E+02 4
-n-C4H3 HW /94C 4H 3 0 0G 300.000 3000.000 1
- 0.54328279E+01 0.16860981E-01-0.94313109E-05 0.25703895E-08-0.27456309E-12 2
- 0.61600680E+05-0.15673981E+01-0.31684113E+00 0.46912100E-01-0.68093810E-04 3
- 0.53179921E-07-0.16523005E-10 0.62476199E+05 0.24622559E+02 4
-i-C4H3 AB1/93C 4H 3 0 0G 300.000 3000.000 1
- 0.90978165E+01 0.92207119E-02-0.33878441E-05 0.49160498E-09-0.14529780E-13 2
- 0.56600574E+05-0.19802597E+02 0.20830412E+01 0.40834274E-01-0.62159685E-04 3
- 0.51679358E-07-0.17029184E-10 0.58005129E+05 0.13617462E+02 4
-C2H3O T04/83O 1H 3C 2 0G 300.000 5000.000 1
- 0.59756699E+01 0.81305914E-02-0.27436245E-05 0.40703041E-09-0.21760171E-13 2
- 0.49032178E+03-0.50320879E+01 0.34090624E+01 0.10738574E-01 0.18914925E-05 3
- 0.71585831E-08 0.28673851E-11 0.15214766E+04 0.95714535E+01 0.30474436E+04 4
-n-C4H5 HW /94C 4H 5 0 0G 300.000 3000.000 1
- 0.98501978E+01 0.10779008E-01-0.13672125E-05-0.77200535E-09 0.18366314E-12 2
- 0.38840301E+05-0.26001846E+02 0.16305321E+00 0.39830137E-01-0.34000128E-04 3
- 0.15147233E-07-0.24665825E-11 0.41429766E+05 0.23536163E+02 4
-i-C4H5 HW /94C 4H 5 0 0G 300.000 3000.000 1
- 0.10229092E+02 0.94850138E-02-0.90406445E-07-0.12596100E-08 0.24781468E-12 2
- 0.34642812E+05-0.28564529E+02-0.19932900E-01 0.38005672E-01-0.27559450E-04 3
- 0.77835551E-08 0.40209383E-12 0.37496223E+05 0.24394241E+02 4
-n-C4H7 HW /94C 4H 7 0 0G 300.000 3000.000 1
- 0.11963392E+02 0.11425305E-01 0.78948909E-06-0.19858872E-08 0.36873645E-12 2
- 0.16962977E+05-0.37542908E+02 0.28698254E+00 0.36964495E-01-0.86277441E-05 3
--0.15051821E-07 0.89891263E-11 0.20551301E+05 0.24484467E+02 4
-C4H6 HW /94C 4H 6 0 0G 300.000 3000.000 1
- 0.88673134E+01 0.14918670E-01-0.31548716E-05-0.41841330E-09 0.15761258E-12 2
- 0.91338516E+04-0.23328171E+02 0.11284465E+00 0.34369022E-01-0.11107392E-04 3
--0.92106660E-08 0.62065179E-11 0.11802270E+05 0.23089996E+02 4
-C4H612 A 8/83C 4H 6 0 0G 300. 3000. 1000.0 1
- 0.1781557E 02 -0.4257502E-02 0.1051185E-04 -0.4473844E-08 0.5848138E-12 2
- 0.1267342E 05 -0.6982662E 02 0.1023467E 01 0.3495919E-01 -0.2200905E-04 3
- 0.6942272E-08 -0.7879187E-12 0.1811799E 05 0.1975066E 02 0.1950807E+05 4
-l-C6H4 HW /94C 6H 4 0 0G 300.000 3000.000 1
- 0.12715182E+02 0.13839662E-01-0.43765440E-05 0.31541636E-09 0.46619026E-13 2
- 0.57031148E+05-0.39464600E+02 0.29590225E+00 0.58053318E-01-0.67766756E-04 3
- 0.43376762E-07-0.11418864E-10 0.60001371E+05 0.22318970E+02 4
-c-C6H4 HW /94C 6H 4 0 0G 300.000 3000.000 1
- 0.13849209E+02 0.78807920E-02 0.18243836E-05-0.21169166E-08 0.37459977E-12 2
- 0.47446340E+05-0.50404953E+02-0.30991268E+01 0.54030564E-01-0.40839004E-04 3
- 0.10738837E-07 0.98078490E-12 0.52205711E+05 0.37415207E+02 4
-c-C6H3 FAKE C 6H 3 0 0G 300.000 3000.000 1
- 0.13849209E+02 0.78807920E-02 0.18243836E-05-0.21169166E-08 0.37459977E-12 2
- 0.47446340E+05-0.50404953E+02-0.30991268E+01 0.54030564E-01-0.40839004E-04 3
- 0.10738837E-07 0.98078490E-12 0.52205711E+05 0.37415207E+02 4
-n-C6H5 HW /94C 6H 5 0 0G 300.000 3000.000 1
- 0.16070068E+02 0.81899539E-02 0.17325165E-05-0.20624185E-08 0.36292345E-12 2
- 0.64616867E+05-0.56163742E+02-0.61135769E+00 0.65082610E-01-0.78262397E-04 3
- 0.53030828E-07-0.14946683E-10 0.68805375E+05 0.27635468E+02 4
-l-C6H6 HW /94C 6H 6 0 0G 300.000 3000.000 1
- 0.10874918E+02 0.23293324E-01-0.94495535E-05 0.16255329E-08-0.84771200E-13 2
- 0.36224055E+05-0.30326756E+02 0.59114441E-01 0.55723339E-01-0.43485274E-04 3
- 0.14487391E-07-0.52512541E-12 0.39042688E+05 0.24796795E+02 4
-c-C6H7 HW /94C 6H 7 0 0G 300.000 3000.000 1
- 0.19996841E+02 0.11189543E-02 0.11649756E-04-0.62779471E-08 0.94939508E-12 2
- 0.16730059E+05-0.83746933E+02-0.30328493E+01 0.50804518E-01-0.69150292E-05 3
--0.29715974E-07 0.16296353E-10 0.23895383E+05 0.38909180E+02 4
-n-C6H7 HW /94C 6H 7 0 0G 300.000 3000.000 1
- 0.22577469E+02-0.30737517E-02 0.14225234E-04-0.69880848E-08 0.10232874E-11 2
- 0.41228980E+05-0.91568619E+02 0.13248032E+00 0.57103366E-01-0.43712644E-04 3
- 0.15538603E-07-0.12976356E-11 0.47730512E+05 0.25339081E+02 4
-C6H8 HW /94C 6H 8 0 0G 300.000 3000.000 1
- 0.28481979E+02-0.15702948E-01 0.26771697E-04-0.11780109E-07 0.16573427E-11 2
- 0.93346445E+04-0.12500226E+03 0.15850439E+01 0.40215142E-01 0.78439543E-05 3
--0.38761325E-07 0.18545207E-10 0.17949613E+05 0.19112625E+02 4
-C6H3 HW /94C 6H 3 0 0G 300.000 3000.000 1
- 0.58188343E+01 0.27933408E-01-0.17825427E-04 0.53702536E-08-0.61707627E-12 2
- 0.85188250E+05-0.92147827E+00 0.11790619E+01 0.55547360E-01-0.73076168E-04 3
- 0.52076736E-07-0.15046964E-10 0.85647312E+05 0.19179199E+02 4
-i-C6H5 HW /94C 6H 5 0 0G 300.000 3000.000 1
- 0.22501663E+02-0.81009977E-02 0.15955695E-04-0.72310371E-08 0.10310424E-11 2
- 0.58473410E+05-0.91224777E+02-0.78585434E+00 0.60221825E-01-0.62890264E-04 3
- 0.36310730E-07-0.87000259E-11 0.64942270E+05 0.28658905E+02 4
-i-C6H7 HW /94C 6H 7 0 0G 300.000 3000.000 1
- 0.20481506E+02 0.79439697E-03 0.11450761E-04-0.60991177E-08 0.91756724E-12 2
- 0.37728426E+05-0.81812073E+02-0.17099094E+01 0.62486034E-01-0.54290707E-04 3
- 0.26959682E-07-0.58999090E-11 0.44086621E+05 0.33344772E+02 4
-A1 HW /94C 6H 6 0 0G 300.000 3000.000 1
- 0.17246994E+02 0.38420164E-02 0.82776232E-05-0.48961120E-08 0.76064545E-12 2
- 0.26646055E+04-0.71945175E+02-0.48998680E+01 0.59806932E-01-0.36710087E-04 3
- 0.32740399E-08 0.37600886E-11 0.91824570E+04 0.44095642E+02 4
-A1- HW /94C 6H 5 0 0G 300.000 3000.000 1
- 0.14493439E+02 0.75712688E-02 0.37894542E-05-0.30769500E-08 0.51347820E-12 2
- 0.33189977E+05-0.54288940E+02-0.49076147E+01 0.59790771E-01-0.45639827E-04 3
- 0.14964993E-07-0.91767826E-12 0.38733410E+05 0.46567780E+02 4
-A1C2H HW /94C 8H 6 0 0G 300.000 3000.000 1
- 0.24090759E+02 0.78232400E-03 0.11453964E-04-0.61620504E-08 0.93346685E-12 2
- 0.27429445E+05-0.10499631E+03-0.52645016E+01 0.84511042E-01-0.76597848E-04 3
- 0.33216978E-07-0.47673063E-11 0.35566242E+05 0.46378815E+02 4
-A1C2H* HW /94C 8H 5 0 0G 300.000 3000.000 1
- 0.28686157E+02-0.13869863E-01 0.22721186E-04-0.99882271E-08 0.14085851E-11 2
- 0.56047309E+05-0.12750334E+03-0.29324217E+01 0.66043675E-01-0.39500475E-04 3
--0.31830381E-08 0.85300387E-11 0.65324043E+05 0.38058685E+02 4
-A1C2H- HW /94C 8H 5 0 0G 300.000 3000.000 1
- 0.12359501E+02 0.25453357E-01-0.10606554E-04 0.18914603E-08-0.10630622E-12 2
- 0.60930461E+05-0.40900208E+02-0.44495859E+01 0.76995067E-01-0.66617038E-04 3
- 0.25038682E-07-0.19756601E-11 0.65225926E+05 0.44427948E+02 4
-n-A1C2H2 HW /94C 8H 7 0 0G 300.000 3000.000 1
- 0.30433151E+02-0.13965182E-01 0.25416972E-04-0.11354174E-07 0.16092050E-11 2
- 0.35738719E+05-0.13416492E+03-0.44899931E+01 0.78750789E-01-0.62376959E-04 3
- 0.21952140E-07-0.16960955E-11 0.45902949E+05 0.47980759E+02 4
-i-A1C2H2 HW /94C 8H 7 0 0G 300.000 3000.000 1
- 0.24365524E+02 0.11262144E-02 0.12931670E-04-0.69641146E-08 0.10540145E-11 2
- 0.33549121E+05-0.10462067E+03-0.25971584E+01 0.63454390E-01-0.20852312E-04 3
--0.22604624E-07 0.15112869E-10 0.41707375E+05 0.37893417E+02 4
-A1C2H3 HW /94C 8H 8 0 0G 300.000 3000.000 1
- 0.11303213E+02 0.33709887E-01-0.13208885E-04 0.21140962E-08-0.87311377E-13 2
- 0.11725388E+05-0.34737919E+02-0.38678493E+01 0.67947865E-01-0.25230333E-04 3
--0.18017145E-07 0.12998470E-10 0.16200269E+05 0.45271770E+02 4
-A1C2H3* HW /94C 8H 7 0 0G 300.000 3000.000 1
- 0.11563599E+02 0.30210810E-01-0.11545593E-04 0.17302320E-08-0.52379765E-13 2
- 0.40498492E+05-0.34882965E+02-0.38868685E+01 0.68168961E-01-0.34805875E-04 3
--0.56410254E-08 0.80714758E-11 0.44941359E+05 0.45943188E+02 4
-A1C2HC2H2 HW /94C 10H 7 0 0G 300.000 3000.000 1
- 0.37523422E+02-0.17028838E-01 0.28777416E-04-0.12719674E-07 0.17976818E-11 2
- 0.61041488E+05-0.17188731E+03-0.63184557E+01 0.11657917E+00-0.13638573E-03 3
- 0.88823526E-07-0.24348468E-10 0.72977062E+05 0.52624207E+02 4
-A1C2H)2 HW /94C 10H 6 0 0G 300.000 3000.000 1
- 0.39766785E+02-0.24939798E-01 0.34210185E-04-0.14473258E-07 0.20104023E-11 2
- 0.50136750E+05-0.18657632E+03-0.75570364E+01 0.12159592E+00-0.15138849E-03 3
- 0.10287488E-06-0.28950911E-10 0.62914168E+05 0.55213287E+02 4
-A2-1 HW /94C 10H 7 0 0G 300.000 3000.000 1
- 0.38380905E+02-0.23157451E-01 0.35479272E-04-0.15395457E-07 0.21609069E-11 2
- 0.32698469E+05-0.18106512E+03-0.85287294E+01 0.10334599E+00-0.91922702E-04 3
- 0.43147448E-07-0.85738135E-11 0.46335004E+05 0.63342224E+02 4
-A2-2 HW /94C 10H 7 0 0G 300.000 3000.000 1
- 0.37326401E+02-0.20478070E-01 0.33183067E-04-0.14576987E-07 0.20569137E-11 2
- 0.32840301E+05-0.17537704E+03-0.38448524E+01 0.70514679E-01-0.93748040E-05 3
--0.44051607E-07 0.24267865E-10 0.45627656E+05 0.43582001E+02 4
-A2 HW /94C 10H 8 0 0G 300.000 3000.000 1
- 0.36468643E+02-0.15419513E-01 0.30160038E-04-0.13700120E-07 0.19582730E-11 2
- 0.35091445E+04-0.17329489E+03-0.94505043E+01 0.11137849E+00-0.10345667E-03 3
- 0.52800392E-07-0.11804439E-10 0.16695594E+05 0.65187668E+02 4
-naphthyne HW /94C 10H 6 0 0G 300.000 3000.000 1
- 0.37680222E+02-0.23843173E-01 0.34590019E-04-0.14841252E-07 0.20744023E-11 2
- 0.45771934E+05-0.17676088E+03-0.68131294E+01 0.96868336E-01-0.87982247E-04 3
- 0.41858918E-07-0.82716637E-11 0.58661090E+05 0.54849548E+02 4
-A2C2H2 HW /94C 12H 9 0 0G 300.000 3000.000 1
- 0.38449295E+02-0.62794946E-02 0.24404828E-04-0.11968822E-07 0.17586878E-11 2
- 0.41090176E+05-0.17668623E+03-0.78516331E+01 0.12104863E+00-0.10531662E-03 3
- 0.46280483E-07-0.77963885E-11 0.54316234E+05 0.63654388E+02 4
-A2C2HA HW /94C 12H 8 0 0G 300.000 3000.000 1
- 0.49453674E+02-0.33857111E-01 0.46505607E-04-0.19681195E-07 0.27340769E-11 2
- 0.26851051E+05-0.23933099E+03-0.11530450E+02 0.14741433E+00-0.17302344E-03 3
- 0.11500390E-06-0.32709183E-10 0.43793129E+05 0.74391754E+02 4
-A2C2HB HW /94C 12H 8 0 0G 300.000 3000.000 1
- 0.18184774E+02 0.41343965E-01-0.17302822E-04 0.31004770E-08-0.17580817E-12 2
- 0.36171543E+05-0.73466003E+02-0.68233256E+01 0.11382083E+00-0.88584900E-04 3
- 0.25930856E-07 0.80712824E-12 0.42797719E+05 0.54592098E+02 4
-A2C2HA* HW /94C 12H 7 0 0G 300.000 3000.000 1
- 0.36614349E+02-0.60314685E-02 0.21614964E-04-0.10579910E-07 0.15563124E-11 2
- 0.60723898E+05-0.17026691E+03-0.84175968E+01 0.12391680E+00-0.12250672E-03 3
- 0.64071344E-07-0.13889583E-10 0.73248562E+05 0.61893204E+02 4
-A2C2HB* HW /94C 12H 7 0 0G 300.000 3000.000 1
- 0.44933517E+02-0.26026871E-01 0.38589074E-04-0.16646357E-07 0.23321310E-11 2
- 0.57926637E+05-0.21417279E+03-0.11824737E+02 0.14904183E+00-0.18618468E-03 3
- 0.13129460E-06-0.39145326E-10 0.73385375E+05 0.76273834E+02 4
-A2C2H)2 HW /94C 14H 8 0 0G 300.000 3000.000 1
- 0.23671062E+02 0.42137049E-01-0.17596645E-04 0.31081251E-08-0.16805216E-12 2
- 0.77926273E+05-0.99615448E+02-0.63029008E+01 0.13745695E+00-0.13055481E-03 3
- 0.60730663E-07-0.10178345E-10 0.85489430E+05 0.51891548E+02 4
-A2HR5 HW /94C 12H 9 0 0G 300.000 3000.000 1
- 0.51227890E+02-0.36250230E-01 0.50296483E-04-0.21346413E-07 0.29698119E-11 2
- 0.32111648E+05-0.25061665E+03-0.92796507E+01 0.11707741E+00-0.78334211E-04 3
- 0.10778407E-07 0.66555260E-11 0.50063973E+05 0.66712509E+02 4
-A2R5 HW /94C 12H 8 0 0G 300.000 3000.000 1
- 0.45883698E+02-0.27226903E-01 0.41569336E-04-0.18047093E-07 0.25351396E-11 2
- 0.13394574E+05-0.22304584E+03-0.97011614E+01 0.12019449E+00-0.98907694E-04 3
- 0.37240884E-07-0.41124578E-11 0.29601926E+05 0.66970596E+02 4
-A3-4 HW /94C 14H 9 0 0G 300.000 3000.000 1
- 0.55788879E+02-0.37930615E-01 0.53528085E-04-0.22830790E-07 0.31841231E-11 2
- 0.32605633E+05-0.27378882E+03-0.11266616E+02 0.14216852E+00-0.12632679E-03 3
- 0.58348800E-07-0.11184283E-10 0.52141961E+05 0.75774780E+02 4
-A3-1 HW /94C 14H 9 0 0G 300.000 3000.000 1
- 0.51812469E+02-0.28380312E-01 0.45409150E-04-0.19924162E-07 0.28118107E-11 2
- 0.34357359E+05-0.25257889E+03-0.73971558E+01 0.11464679E+00-0.57456185E-04 3
--0.14070547E-07 0.16005933E-10 0.52239715E+05 0.59582397E+02 4
-A3 HW /94C 14H 10 0 0G 300.000 3000.000 1
- 0.55916473E+02-0.35253201E-01 0.52522926E-04-0.22672634E-07 0.31770584E-11 2
- 0.32654609E+04-0.27604980E+03-0.12275226E+02 0.15032256E+00-0.13862801E-03 3
- 0.69376767E-07-0.15105445E-10 0.23030492E+05 0.78889145E+02 4
-A3C2H2 HW /94C 16H 11 0 0G 300.000 3000.000 1
- 0.47582428E+02-0.12822752E-02 0.25647692E-04-0.13378838E-07 0.20086545E-11 2
- 0.46191215E+05-0.22653258E+03-0.95893555E+01 0.15080631E+00-0.11617327E-03 3
- 0.36814228E-07-0.12802901E-11 0.62701906E+05 0.71309311E+02 4
-A3C2H HW /94C 16H 10 0 0G 300.000 3000.000 1
- 0.52165146E+02-0.13197318E-01 0.34353056E-04-0.16283892E-07 0.23677362E-11 2
- 0.34235055E+05-0.25406651E+03-0.11602674E+02 0.16824394E+00-0.16432030E-03 3
- 0.86394380E-07-0.19310567E-10 0.52172836E+05 0.75515366E+02 4
-A4H HW /94C 16H 11 0 0G 300.000 3000.000 1
- 0.53775238E+02-0.15681151E-01 0.38488797E-04-0.18134241E-07 0.26325071E-11 2
- 0.24154484E+05-0.26532764E+03-0.12209255E+02 0.15599608E+00-0.11474930E-03 3
- 0.30214796E-07 0.18287498E-11 0.43453211E+05 0.79503540E+02 4
-A4 HW /94C 16H 10 0 0G 300.000 3000.000 1
- 0.58017273E+02-0.29164989E-01 0.48728383E-04-0.21593682E-07 0.30609786E-11 2
- 0.43451016E+04-0.29017163E+03-0.13759249E+02 0.16772294E+00-0.15500121E-03 3
- 0.75759544E-07-0.15674045E-10 0.24996187E+05 0.82853027E+02 4
-A4- HW /94C 16H 9 0 0G 300.000 3000.000 1
- 0.22088816E+02 0.53355407E-01-0.22329932E-04 0.39479620E-08-0.21313176E-12 2
- 0.45200934E+05-0.96724930E+02-0.96258593E+01 0.13385314E+00-0.77600773E-04 3
--0.36330547E-08 0.13855670E-10 0.54171852E+05 0.68499725E+02 4
-P2 HW /94C 12H 10 0 0G 300.000 3000.000 1
- 0.50761871E+02-0.34501564E-01 0.50293413E-04-0.21559579E-07 0.30097192E-11 2
- 0.21538867E+04-0.24670712E+03-0.10283234E+02 0.12428707E+00-0.95990268E-04 3
- 0.32294793E-07-0.23045229E-11 0.20165258E+05 0.72707947E+02 4
-P2- HW /94C 12H 9 0 0G 300.000 3000.000 1
- 0.44711853E+02-0.22851825E-01 0.39102117E-04-0.17352100E-07 0.24579375E-11 2
- 0.33714000E+05-0.21220692E+03-0.11851097E+02 0.13545156E+00-0.13310938E-03 3
- 0.73769911E-07-0.18193003E-10 0.49878781E+05 0.81107361E+02 4
-P2-H HW /94C 12H 11 0 0G 300.000 3000.000 1
- 0.41542511E+02-0.83502531E-02 0.29097937E-04-0.14148299E-07 0.20728341E-11 2
- 0.22772937E+05-0.19578616E+03-0.99978790E+01 0.12279570E+00-0.80112615E-04 3
- 0.11102152E-07 0.64273890E-11 0.37960410E+05 0.74195984E+02 4
-C5H5 L 7/89C 5H 5 0 0G 200.000 6000.000 1
- 0.10844066d+02 0.15392837d-01-0.55630421d-05 0.90189371d-09-0.54156531d-13 2
- 0.26900566d+05-0.35254948d+02-0.95903718d+00 0.31396859d-01 0.26723794d-04 3
--0.68941872d-07 0.33301856d-10 0.30729120d+05 0.29072816d+02 0.31954258d+05 4
-C5H6 C-P10/85C 5H 6 0 0G 298.150 5000.000 1
- 0.10624320E 02 0.17735448E-01-0.62330446E-05 0.97308317E-09-0.55500130E-13 2
- 0.10772188E 05-0.35773422E 02-0.28978958E 01 0.43484777E-01-0.33511005E-05 3
--0.31103756E-07 0.16912444E-10 0.15084742E 05 0.36894760E 02 0.16068486E 05 4
-C6H5O L12/84C 6H 5O 1 0G 300.000 5000.000 1
- 0.13833984E 02 0.17618403E-01-0.60696257E-05 0.91988173E-09-0.50449181E-13 2
--0.69212549E 03-0.50392990E 02-0.18219433E 01 0.48122510E-01-0.46792302E-05 3
--0.34018594E-07 0.18649637E-10 0.42429180E 04 0.33526199E 02 0.57367379E 04 4
-C6H5OH L 4/84C 6H 6O 1 0G 300.000 5000.000 1
- 0.14912073E 02 0.18378135E-01-0.61983128E-05 0.91983221E-09-0.49209565E-13 2
--0.18375199E 05-0.55924103E 02-0.16956539E 01 0.52271299E-01-0.72024050E-05 3
--0.35859603E-07 0.20449073E-10-0.13284121E 05 0.32542160E 02-0.11594207E 05 4
-C5H4OH L 8/89C 5H 5O 1 0G 200.000 6000.000 1
- 0.13367912d+02 0.15205785d-01-0.54592258d-05 0.88134866d-09-0.52774454d-13 2
- 0.38411506d+04-0.45920839d+02-0.12822236d+01 0.49041160d-01-0.13688997d-04 3
--0.29133858d-07 0.19006964d-10 0.80087098d+04 0.30798358d+02 0.96365992d+04 4
-C5H4O P 1/93C 5H 4O 1 0G 300.000 3000.000 1
- 0.47927242E+01 0.29221680E-01-0.15997486E-04 0.42069049E-08-0.42815179E-12 2
- 0.22849286E+04-0.30131893E+01-0.23915355E+01 0.47363680E-01-0.30728171E-04 3
- 0.78031552E-08-0.25145729E-12 0.43740152E+04 0.34594337E+02 4
-C5H5O L 7/89C 5O 1H 5 0G 200.000 6000.000 1
- 0.12606422d+02 0.16747260d-01-0.61098574d-05 0.99676557d-09-0.60113201d-13 2
- 0.39313455d+04-0.42604277d+02 0.23042835d+00 0.32322691d-01 0.28900443d-04 3
--0.70679977d-07 0.33406891d-10 0.80753082d+04 0.25330974E 02 4
-END
-
diff --git a/applications/test/readCHEMKINIII/CMakeLists.txt b/applications/test/readCHEMKINIII/CMakeLists.txt
deleted file mode 100644
index 815d245..0000000
--- a/applications/test/readCHEMKINIII/CMakeLists.txt
+++ /dev/null
@@ -1,42 +0,0 @@
-#-------------------------------------------------------------------------------
-# ______ _ ____ __ __
-# | ____| _| |_ / __ \ /\ | \/ |
-# | |__ _ __ ___ ___ / \| | | | / \ | \ / |
-# | __| '__/ _ \/ _ ( (| |) ) | | |/ /\ \ | |\/| |
-# | | | | | __/ __/\_ _/| |__| / ____ \| | | |
-# |_| |_| \___|\___| |_| \____/_/ \_\_| |_|
-#
-# FreeFOAM: The Cross-Platform CFD Toolkit
-#
-# Copyright (C) 2008-2012 Michael Wild <themiwi at users.sf.net>
-# Gerber van der Graaf <gerber_graaf at users.sf.net>
-#-------------------------------------------------------------------------------
-# License
-# This file is part of FreeFOAM.
-#
-# FreeFOAM is free software: you can redistribute it and/or modify it
-# under the terms of the GNU General Public License as published by the
-# Free Software Foundation, either version 3 of the License, or (at your
-# option) any later version.
-#
-# FreeFOAM is distributed in the hope that it will be useful, but WITHOUT
-# ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-# FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
-# for more details.
-#
-# You should have received a copy of the GNU General Public License
-# along with FreeFOAM. If not, see <http://www.gnu.org/licenses/>.
-#-------------------------------------------------------------------------------
-
-include(files.cmake)
-
-add_executable(readCHEMKINIII ${SRCS})
-
-foam_target_link_libraries(readCHEMKINIII
- OpenFOAM
- specie
- basicThermophysicalModels
- reactionThermophysicalModels
- )
-
-# ------------------------- vim: set sw=2 sts=2 et: --------------- end-of-file
diff --git a/applications/test/readCHEMKINIII/files.cmake b/applications/test/readCHEMKINIII/files.cmake
deleted file mode 100644
index 801a253..0000000
--- a/applications/test/readCHEMKINIII/files.cmake
+++ /dev/null
@@ -1,35 +0,0 @@
-#-------------------------------------------------------------------------------
-# ______ _ ____ __ __
-# | ____| _| |_ / __ \ /\ | \/ |
-# | |__ _ __ ___ ___ / \| | | | / \ | \ / |
-# | __| '__/ _ \/ _ ( (| |) ) | | |/ /\ \ | |\/| |
-# | | | | | __/ __/\_ _/| |__| / ____ \| | | |
-# |_| |_| \___|\___| |_| \____/_/ \_\_| |_|
-#
-# FreeFOAM: The Cross-Platform CFD Toolkit
-#
-# Copyright (C) 2008-2012 Michael Wild <themiwi at users.sf.net>
-# Gerber van der Graaf <gerber_graaf at users.sf.net>
-#-------------------------------------------------------------------------------
-# License
-# This file is part of FreeFOAM.
-#
-# FreeFOAM is free software: you can redistribute it and/or modify it
-# under the terms of the GNU General Public License as published by the
-# Free Software Foundation, either version 3 of the License, or (at your
-# option) any later version.
-#
-# FreeFOAM is distributed in the hope that it will be useful, but WITHOUT
-# ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-# FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
-# for more details.
-#
-# You should have received a copy of the GNU General Public License
-# along with FreeFOAM. If not, see <http://www.gnu.org/licenses/>.
-#-------------------------------------------------------------------------------
-
-set(SRCS
- readCHEMKINIII.C
- )
-
-# ------------------------- vim: set sw=2 sts=2 et: --------------- end-of-file
diff --git a/applications/test/readCHEMKINIII/reactions b/applications/test/readCHEMKINIII/reactions
deleted file mode 100644
index 5a61fdf..0000000
--- a/applications/test/readCHEMKINIII/reactions
+++ /dev/null
@@ -1,875 +0,0 @@
-
-290
-(
-reversibleArrheniusReaction
- C7H16 + O2 = C7H15-1 + HO2
- (2.5e+10 0 24560.8)
-reversibleArrheniusReaction
- C7H16 + O2 = C7H15-2 + HO2
- (2.8e+11 0 23740.6)
-reversibleArrheniusReaction
- C7H16 + H = C7H15-1 + H2
- (56000 2 3857.97)
-reversibleArrheniusReaction
- C7H16 + H = C7H15-2 + H2
- (43800 2 2390.16)
-reversibleArrheniusReaction
- C7H16 + OH = C7H15-1 + H2O
- (8.6e+06 1.1 913.292)
-reversibleArrheniusReaction
- C7H16 + OH = C7H15-2 + H2O
- (4.8e+06 1.3 347.454)
-reversibleArrheniusReaction
- C7H16 + HO2 = C7H15-1 + H2O2
- (8e+09 0 9711.59)
-reversibleArrheniusReaction
- C7H16 + HO2 = C7H15-2 + H2O2
- (1e+10 0 8529.09)
-reversibleArrheniusReaction
- C7H16 + CH3 = C7H15-1 + CH4
- (1.3e+09 0 5837.02)
-reversibleArrheniusReaction
- C7H16 + CH3 = C7H15-2 + CH4
- (8e+08 0 4780.32)
-reversibleArrheniusReaction
- C7H16 = C7H15-1 + H
- (3.972e+19 -0.95 51929.3)
-reversibleArrheniusReaction
- C7H16 = C7H15-2 + H
- (1.248e+21 -1.34 50671.4)
-reversibleArrheniusReaction
- C7H16 = C4H9 + C3H7
- (2e+16 0 40612.6)
-reversibleArrheniusReaction
- C7H15-1 + O2 = C7H15O2
- (2e+09 0 0)
-reversibleArrheniusReaction
- C7H15-2 + O2 = C7H15O2
- (2e+09 0 0)
-reversibleArrheniusReaction
- C7H15O2 = C7H14O2H
- (6e+11 0 10255)
-reversibleArrheniusReaction
- C7H14O2H + O2 = C7H14O2HO2
- (2.34e+08 0 0)
-reversibleArrheniusReaction
- C7H14O2HO2 = C7KET21 + OH
- (2.965e+13 0 13435.2)
-reversibleArrheniusReaction
- C7KET21 = C5H11CO + CH2O + OH
- (1e+16 0 21335.3)
-reversibleArrheniusReaction
- C5H11CHO + O2 = C5H11CO + HO2
- (2e+10 0.5 21234.7)
-reversibleArrheniusReaction
- C5H11CHO + OH = C5H11CO + H2O
- (1e+10 0 0)
-reversibleArrheniusReaction
- C5H11CHO + H = C5H11CO + H2
- (4e+10 0 2113.4)
-reversibleArrheniusReaction
- C5H11CHO + O = C5H11CO + OH
- (5e+09 0 900.712)
-reversibleArrheniusReaction
- C5H11CHO + HO2 = C5H11CO + H2O2
- (2.8e+09 0 6843.4)
-reversibleArrheniusReaction
- C5H11CHO + CH3 = C5H11CO + CH4
- (1.7e+09 0 4246.93)
-reversibleArrheniusReaction
- C5H11CHO + CH3O2 = C5H11CO + CH4O2
- (1e+09 0 4780.32)
-reversibleArrheniusReaction
- C5H11CO = C5H11 + CO
- (1e+11 0 4830.64)
-reversibleArrheniusReaction
- C5H11 = C2H5 + C3H6
- (3.2e+13 0 14240.3)
-reversibleArrheniusReaction
- C7H15-1 = C2H4 + C5H11
- (2.5e+13 0 14496.9)
-reversibleArrheniusReaction
- C7H15-2 = CH3 + C6H12
- (3e+13 0 14995.1)
-reversibleArrheniusReaction
- C6H12 = C3H7 + C3H5
- (1e+16 0 34217)
-reversibleArrheniusReaction
- C7H15-2 = C4H9 + C3H6
- (1.2e+13 0 14894.5)
-reversibleArrheniusReaction
- C7H15-1 = C7H15-2
- (2e+11 0 9107.76)
-reversibleArrheniusReaction
- C4H9 = C3H6 + CH3
- (2.232e+17 -1.4 15513.4)
-reversibleArrheniusReaction
- C4H9 = C2H5 + C2H4
- (2.5e+13 0 14496.9)
-reversibleArrheniusReaction
- C3H7 = C2H4 + CH3
- (9.6e+13 0 15573.8)
-reversibleArrheniusReaction
- C3H7 = C3H6 + H
- (1.25e+14 0 18567.8)
-reversibleArrheniusReaction
- C3H7 + O2 = C3H6 + HO2
- (1e+09 0 2505.89)
-reversibleArrheniusReaction
- C3H6 = C2H3 + CH3
- (6.15e+15 0 43022.9)
-reversibleArrheniusReaction
- C3H6 + H = C3H5 + H2
- (5e+09 0 754.787)
-reversibleArrheniusReaction
- C3H6 + CH3 = C3H5 + CH4
- (9e+09 0 4267.06)
-reversibleArrheniusReaction
- C3H6 + O2 = C3H5 + HO2
- (4e+09 0 20077.3)
-reversibleArrheniusReaction
- C3H6 + OH = CH3CHO + CH3
- (3.5e+08 0 0)
-reversibleArrheniusReaction
- C3H5 = C3H4 + H
- (4e+13 0 35102.6)
-reversibleArrheniusReaction
- C3H5 + H = C3H4 + H2
- (1e+10 0 0)
-reversibleArrheniusReaction
- C3H5 + O2 = C3H4 + HO2
- (6e+08 0 5031.91)
-reversibleArrheniusReaction
- C3H4 + OH = C2H3 + CH2O
- (1e+09 0 0)
-reversibleArrheniusReaction
- C3H4 + OH = C2H4 + HCO
- (1e+09 0 0)
-reversibleArrheniusReaction
- C3H4 + O2 = C3H3 + HO2
- (4e+10 0 19705)
-reversibleArrheniusReaction
- C2H5 + O = CH3CHO + H
- (5.3e+10 0 0)
-reversibleArrheniusReaction
- C2H4 + HO2 = CH3CHO + OH
- (2.2e+10 0 8654.89)
-reversibleArrheniusReaction
- C2H4 + CH3O = CH3CHO + CH3
- (3e+10 0 7296.27)
-reversibleArrheniusReaction
- C2H4 + CH3O2 = CH3CHO + CH3O
- (7e+10 0 7296.27)
-reversibleArrheniusReaction
- CH3CHO = CH3 + HCO
- (7.08e+15 0 41140.9)
-reversiblethirdBodyArrheniusReaction
- CH3CO = CH3 + CO
- ((1.8e+13 0 7245.95) (1))
-reversibleArrheniusReaction
- CH3CHO + O2 = CH3CO + HO2
- (2e+10 0.5 21234.7)
-reversibleArrheniusReaction
- CH3CHO + H = CH3CO + H2
- (4.1e+10 0 2113.4)
-reversibleArrheniusReaction
- CH3CHO + OH = CH3CO + H2O
- (1e+10 0 0)
-reversibleArrheniusReaction
- CH3CHO + O = CH3CO + OH
- (5.8e+09 0 900.712)
-reversibleArrheniusReaction
- CH3CHO + CH3 = CH3CO + CH4
- (1.7e+09 0 4246.93)
-reversibleArrheniusReaction
- CH3CHO + CH2 = CH3CO + CH3
- (1.66e+09 0 1766.2)
-reversibleArrheniusReaction
- CH3CHO + HO2 = CH3CO + H2O2
- (1.7e+09 0 5384.15)
-reversibleArrheniusReaction
- CH3CHO + CH3O2 = CH3CO + CH4O2
- (1.15e+08 0 5031.91)
-reversibleArrheniusReaction
- CH3CO + O = CH3 + CO2
- (1e+10 0 0)
-reversibleArrheniusReaction
- CH3CO + H = CH3 + HCO
- (1e+11 0 0)
-reversibleArrheniusReaction
- CH3CO + OH = CH3 + CO + OH
- (3e+10 0 0)
-reversibleArrheniusReaction
- CH3CO + HO2 = CH3 + CO2 + OH
- (3e+10 0 0)
-reversibleArrheniusReaction
- CH3CO + CH3 = C2H6 + CO
- (5e+10 0 0)
-reversibleArrheniusReaction
- CH3O + CO = CH3 + CO2
- (1.57e+11 0 5937.66)
-reversibleArrheniusReaction
- CH3O + H = CH2O + H2
- (2e+10 0 0)
-reversibleArrheniusReaction
- CH3O + OH = CH2O + H2O
- (1e+10 0 0)
-reversibleArrheniusReaction
- CH3O + O = CH2O + OH
- (1e+10 0 0)
-reversibleArrheniusReaction
- CH3O + O2 = CH2O + HO2
- (1.2e+08 0 1308.3)
-reversibleArrheniusLindemannFallOffReaction
- CH3O = CH2O + H
- ((2.344e+22 -2.7 15397.7) (2e+13 0 13797.5) (1))
-reversibleArrheniusReaction
- CH3 + HO2 = CH3O + OH
- (4.3e+10 0 0)
-reversibleArrheniusReaction
- CH3 + O2 = CH3O + O
- (3.67e+10 0 15095.7)
-reversibleArrheniusReaction
- CH3 + O2 = CH2O + OH
- (4.8e+07 0 4528.72)
-reversibleArrheniusReaction
- CH3 + O2 = CH3O2
- (3.02e+56 -15 8656.9)
-reversibleArrheniusReaction
- CH3O2 + HO2 = CH4O2 + O2
- (4.63e+08 0 -1299.74)
-reversibleArrheniusReaction
- CH3O2 + CH4 = CH4O2 + CH3
- (1.81e+08 0 9298.97)
-reversibleArrheniusReaction
- CH3O2 + CH3 = CH3O + CH3O
- (2.41e+10 0 0)
-reversibleArrheniusReaction
- CH3O2 + O = CH3O + O2
- (3.61e+10 0 0)
-reversibleArrheniusReaction
- CH3O2 + H = CH3O + OH
- (9.64e+10 0 0)
-reversibleArrheniusReaction
- CH3O2 + CH2O = CH4O2 + HCO
- (1e+09 0 5869.73)
-reversibleArrheniusReaction
- CH3O2 + C2H6 = CH4O2 + C2H5
- (2.95e+08 0 7519.69)
-reversibleArrheniusReaction
- CH3O2 + CH3O2 = CH3O + CH3O + O2
- (2.8e+08 0 -392.489)
-reversibleArrheniusReaction
- CH3O2 + H2O2 = CH4O2 + HO2
- (2.4e+09 0 5031.91)
-reversibleArrheniusReaction
- CH4O2 = CH3O + OH
- (3e+16 0 21597)
-reversibleArrheniusReaction
- CH3O2 + C2H4 = C2H3 + CH4O2
- (7.1e+08 0 8609.6)
-reversibleArrheniusReaction
- CH4O2 + OH = CH3O2 + H2O
- (1e+10 0 -129.823)
-reversibleArrheniusReaction
- CH4O2 + O = CH3O2 + OH
- (2e+10 0 2390.16)
-reversibleArrheniusReaction
- CH3 + O = CH2O + H
- (8e+10 0 0)
-reversibleArrheniusReaction
- CH3 + OH = CH2 + H2O
- (7500 2 2515.96)
-reversibleArrheniusReaction
- CH3 + OH = CH2O + H2
- (4e+09 0 0)
-reversibleArrheniusReaction
- CH3O + H = CH3 + OH
- (1e+11 0 0)
-reversiblethirdBodyArrheniusReaction
- CO + O = CO2
- ((6.17e+08 0 1509.57) (1))
-reversibleArrheniusReaction
- CO + OH = CO2 + H
- (35100 1.3 -381.419)
-reversibleArrheniusReaction
- CO + O2 = CO2 + O
- (1.6e+10 0 20630.8)
-reversibleArrheniusReaction
- HO2 + CO = CO2 + OH
- (5.8e+10 0 11538.2)
-reversibleArrheniusReaction
- H2 + O2 = OH + OH
- (1.7e+10 0 24042.5)
-reversibleArrheniusReaction
- H2 + OH = H2O + H
- (1.17e+06 1.3 1824.57)
-reversibleArrheniusReaction
- O + OH = O2 + H
- (4e+11 -0.5 0)
-reversibleArrheniusReaction
- O + H2 = OH + H
- (50.6 2.67 3165.07)
-reversibleArrheniusReaction
- H + HO2 = O + H2O
- (3.1e+07 0 1806.46)
-reversiblethirdBodyArrheniusReaction
- O + OH = HO2
- ((1e+10 0 0) (1 N2 0.7 CO 2 CO2 5 H2 3.3 H2O 6))
-reversiblethirdBodyArrheniusReaction
- H + O2 = HO2
- ((2.8e+12 -0.86 0) (1 O2 0 N2 0 CO 0.75 CO2 1.5 H2O 0 C2H6 1.5))
-reversibleArrheniusReaction
- H + O2 + O2 = HO2 + O2
- (2.08e+13 -1.24 0)
-reversibleArrheniusReaction
- H + O2 + H2O = HO2 + H2O
- (1.126e+13 -0.76 0)
-reversibleArrheniusReaction
- H + O2 + N2 = HO2 + N2
- (2.6e+13 -1.24 0)
-reversibleArrheniusReaction
- OH + HO2 = H2O + O2
- (7.5e+09 0 0)
-reversibleArrheniusReaction
- H + HO2 = OH + OH
- (1.7e+11 0 440.292)
-reversibleArrheniusReaction
- O + HO2 = O2 + OH
- (1.4e+10 0 539.924)
-reversibleArrheniusReaction
- OH + OH = O + H2O
- (600000 1.3 0)
-reversiblethirdBodyArrheniusReaction
- H + H = H2
- ((1e+12 -1 0) (1 CO2 0 H2 0 H2O 0))
-reversibleArrheniusReaction
- H + H + H2 = H2 + H2
- (9.2e+10 -0.6 0)
-reversibleArrheniusReaction
- H + H + H2O = H2 + H2O
- (6e+13 -1.25 0)
-reversibleArrheniusReaction
- H + H + CO2 = H2 + CO2
- (5.49e+14 -2 0)
-reversiblethirdBodyArrheniusReaction
- H + OH = H2O
- ((1.6e+16 -2 0) (1))
-reversiblethirdBodyArrheniusReaction
- H + O = OH
- ((6.2e+10 -0.6 0) (1))
-reversiblethirdBodyArrheniusReaction
- O + O = O2
- ((1.89e+07 0 -899.706) (1))
-reversibleArrheniusReaction
- H + HO2 = H2 + O2
- (1.25e+10 0 0)
-reversibleArrheniusReaction
- HO2 + HO2 = H2O2 + O2
- (2e+09 0 0)
-reversibleArrheniusTroeFallOffReaction
- OH + OH = H2O2
- ((4.3e+12 -0.9 -855.425) (7.6e+10 -0.37 0) (0.7346 94 1756 5182) (1 N2 0.7 CO 1.5 CO2 2 H2 2 H2O 6 CH4 2 C2H6 3))
-reversibleArrheniusReaction
- H2O2 + H = HO2 + H2
- (1.6e+09 0 1912.13)
-reversibleArrheniusReaction
- H2O2 + OH = H2O + HO2
- (1e+10 0 905.744)
-reversibleArrheniusReaction
- H2O2 + H = H2O + OH
- (1e+10 0 1806.46)
-reversibleArrheniusReaction
- H2O2 + O = H2O + O2
- (8.4e+08 0 2143.59)
-reversibleArrheniusReaction
- H2O2 + O = OH + HO2
- (2e+10 0 2968.83)
-reversibleArrheniusReaction
- H2 + HO2 = H2O + OH
- (6.5e+08 0 9460)
-reversibleArrheniusReaction
- CO2 + N = NO + CO
- (1.9e+08 0 1710.85)
-reversibleArrheniusReaction
- N2O + O = N2 + O2
- (1.4e+09 0 5439.5)
-reversibleArrheniusReaction
- N2O + O = NO + NO
- (2.9e+10 0 11648.9)
-reversibleArrheniusReaction
- N2O + H = N2 + OH
- (4.4e+11 0 9500.25)
-reversibleArrheniusReaction
- N2O + OH = N2 + HO2
- (2e+09 0 10597.2)
-reversiblethirdBodyArrheniusReaction
- N2O = N2 + O
- ((1.3e+08 0 30000.3) (1))
-reversibleArrheniusReaction
- N + NO = N2 + O
- (3.27e+09 0.3 0)
-reversibleArrheniusReaction
- N + O2 = NO + O
- (6.4e+06 1 3160.04)
-reversibleArrheniusReaction
- N + OH = NO + H
- (7.333e+10 0 563.574)
-reversibleArrheniusReaction
- CH2O + O2 = HCO + HO2
- (6.2e+10 0 19624.5)
-reversibleArrheniusReaction
- CH2O + O = HCO + OH
- (4.1e+08 0.57 1388.81)
-reversibleArrheniusReaction
- CH2O + H = HCO + H2
- (219000 1.8 1509.57)
-reversibleArrheniusReaction
- CH2O + OH = HCO + H2O
- (2.43e+07 1.18 -224.926)
-reversibleArrheniusReaction
- CH2O + HO2 = HCO + H2O2
- (3e+09 0 4025.53)
-reversiblethirdBodyArrheniusReaction
- CH2O = CO + H2
- ((6.25e+12 0 34991.9) (1))
-reversiblethirdBodyArrheniusReaction
- CH2O = HCO + H
- ((3.3e+13 0 40758.5) (1))
-reversibleArrheniusReaction
- HCO + HCO = CH2O + CO
- (3.01e+10 0 0)
-reversibleArrheniusReaction
- HCO + OH = H2O + CO
- (1e+11 0 0)
-reversibleArrheniusReaction
- HCO + H = H2 + CO
- (1.19e+10 0.3 0)
-reversibleArrheniusReaction
- HCO + O = OH + CO
- (3e+10 0 0)
-reversibleArrheniusReaction
- HCO + O = H + CO2
- (3e+10 0 0)
-reversibleArrheniusReaction
- HCO + O2 = HO2 + CO
- (3.3e+10 -0.4 0)
-reversiblethirdBodyArrheniusReaction
- HCO = H + CO
- ((1.87e+14 -1 8554.25) (1))
-reversibleArrheniusReaction
- HCO + HO2 = CO2 + OH + H
- (3e+10 0 0)
-reversibleArrheniusReaction
- CH4 + O2 = CH3 + HO2
- (7.9e+10 0 28178.7)
-reversibleArrheniusReaction
- CH4 + H = CH3 + H2
- (660000 1.6 5454.59)
-reversibleArrheniusReaction
- CH4 + OH = CH3 + H2O
- (1600 2.1 1237.85)
-reversibleArrheniusReaction
- CH4 + O = CH3 + OH
- (1.02e+06 1.5 4329.46)
-reversibleArrheniusReaction
- CH4 + HO2 = CH3 + H2O2
- (1e+10 0 9409.68)
-reversibleArrheniusReaction
- CH4 + CH2 = CH3 + CH3
- (4e+09 0 -286.819)
-reversibleArrheniusReaction
- CH3 + CH2O = CH4 + HCO
- (5.5 2.8 3019.15)
-reversibleArrheniusReaction
- CH3 + HCO = CH4 + CO
- (1.2e+11 0 0)
-reversibleArrheniusReaction
- CH3 + H = CH4
- (1.9e+33 -7 4553.88)
-reversibleArrheniusReaction
- CH3 + H = CH2 + H2
- (9e+10 0 7598.19)
-reversibleArrheniusReaction
- CH3 + CH3O = CH4 + CH2O
- (3.3e+11 0 0)
-reversibleArrheniusTroeFallOffReaction
- CH3 + CH3 = C2H6
- ((1.77e+44 -9.67 3129.85) (2.12e+13 -0.97 311.979) (0.5325 151 1038 4970) (1 N2 0.7 CO 1.5 CO2 2 H2 2 H2O 6 CH4 2 C2H6 3))
-reversibleArrheniusReaction
- CH3 + CH3 = C2H5 + H
- (4.99e+09 0.1 5333.83)
-reversibleArrheniusReaction
- CH2 + OH = CH2O + H
- (2.5e+10 0 0)
-reversibleArrheniusReaction
- CH2 + O2 = HCO + OH
- (4.3e+07 0 -251.596)
-reversibleArrheniusReaction
- CH2 + O2 = CO2 + H2
- (6.9e+08 0 251.596)
-reversibleArrheniusReaction
- CH2 + O2 = CO + H2O
- (2e+07 0 -503.191)
-reversibleArrheniusReaction
- CH2 + O2 = CH2O + O
- (5e+10 0 4528.72)
-reversibleArrheniusReaction
- CH2 + O2 = CO2 + H + H
- (1.6e+09 0 503.191)
-reversibleArrheniusReaction
- CH2 + O2 = CO + OH + H
- (8.6e+07 0 -251.596)
-reversibleArrheniusReaction
- CH2 + CH2 = C2H2 + H2
- (1.2e+10 0 402.553)
-reversibleArrheniusReaction
- CH2 + CH2 = C2H2 + H + H
- (1.2e+11 0 402.553)
-reversibleArrheniusReaction
- CH2 + CO2 = CH2O + CO
- (1e+08 0 503.191)
-reversibleArrheniusReaction
- CH3 + HCO = CH2O + CH2
- (3e+10 0 0)
-reversibleArrheniusReaction
- CH3 + C2H4 = CH4 + C2H3
- (0.00662 3.7 4771.26)
-reversibleArrheniusReaction
- CH3 + CH3 = C2H4 + H2
- (1e+12 0 15598.9)
-reversibleArrheniusReaction
- CH3 + CH2 = C2H4 + H
- (3e+10 0 -286.819)
-reversibleArrheniusReaction
- C2H4 + H = C2H3 + H2
- (1.1e+11 0 4277.13)
-reversibleArrheniusReaction
- C2H4 + O = CH3 + HCO
- (1.6e+06 1.2 375.381)
-reversibleArrheniusReaction
- C2H4 + O = CH2O + CH2
- (30 1.88 90.5744)
-reversibleArrheniusReaction
- C2H4 + O = C2H3 + OH
- (15100 1.91 1907.09)
-reversibleArrheniusReaction
- C2H4 + OH = CH2O + CH3
- (6e+10 0 483.064)
-reversibleArrheniusReaction
- C2H4 + HO2 = C2H3 + H2O2
- (7.1e+08 0 8609.6)
-reversibleArrheniusReaction
- C2H4 + OH = C2H3 + H2O
- (6.02e+10 0 2996.5)
-reversiblethirdBodyArrheniusReaction
- C2H4 = C2H2 + H2
- ((1.5e+12 0 28078.1) (1))
-reversiblethirdBodyArrheniusReaction
- C2H4 = C2H3 + H
- ((2.6e+14 0 48593.2) (1))
-reversibleArrheniusReaction
- C2H4 + H = C2H5
- (2.6e+40 -9.25 26457.8)
-reversibleArrheniusReaction
- C2H6 + O2 = C2H5 + HO2
- (1e+10 0 24636.2)
-reversibleArrheniusReaction
- C2H5 + O2 = C2H4 + HO2
- (2e+07 0 -1107.02)
-reversibleArrheniusReaction
- C2H4 + O2 = C2H3 + HO2
- (4.2e+11 0 28978.8)
-reversibleArrheniusReaction
- C2H4 + C2H4 = C2H5 + C2H3
- (5e+11 0 32556.5)
-reversibleArrheniusReaction
- C2H5 + HO2 = C2H4 + H2O2
- (3e+08 0 0)
-reversibleArrheniusReaction
- C2H2 + O2 = HCO + HCO
- (4e+09 0 14089.4)
-reversibleArrheniusReaction
- C2H2 + O = CH2 + CO
- (10200 2 956.063)
-reversiblethirdBodyArrheniusReaction
- C2H2 + H = C2H3
- ((5.54e+06 0 1212.69) (1))
-reversibleArrheniusReaction
- C2H3 + H = C2H2 + H2
- (4e+10 0 0)
-reversibleArrheniusReaction
- C2H3 + O2 = CH2O + HCO
- (4e+09 0 -125.798)
-reversibleArrheniusReaction
- C2H3 + OH = C2H2 + H2O
- (3e+10 0 0)
-reversibleArrheniusReaction
- C2H3 + CH2 = C2H2 + CH3
- (3e+10 0 0)
-reversibleArrheniusReaction
- C2H3 + HCO = C2H4 + CO
- (6.034e+10 0 0)
-reversibleArrheniusReaction
- C2H3 + C2H3 = C2H2 + C2H4
- (1.45e+10 0 0)
-reversibleArrheniusReaction
- C2H3 + O = C2H2 + OH
- (1e+10 0 0)
-reversibleArrheniusReaction
- C2H2 + OH = CH3 + CO
- (4.83e-07 4 -1006.38)
-reversibleArrheniusReaction
- C2H2 + CH2 = C3H3 + H
- (1.2e+10 0 3331.13)
-reversibleArrheniusReaction
- C3H3 + OH = C3H2 + H2O
- (1e+10 0 0)
-reversibleArrheniusReaction
- C3H3 + O = CH2O + C2H
- (1e+10 0 0)
-reversibleArrheniusReaction
- C2H3 = C2H2 + H
- (4.6e+40 -8.8 23247.4)
-reversibleArrheniusReaction
- C2H2 = C2H + H
- (2.373e+32 -5.28 65761.1)
-reversibleArrheniusReaction
- C2H + O2 = HCO + CO
- (5e+10 0 754.787)
-reversibleArrheniusReaction
- C2H + H2 = H + C2H2
- (490 2.5 281.787)
-reversibleArrheniusReaction
- C2H2 + O = C2H + OH
- (4.6e+16 -1.41 14567.4)
-reversibleArrheniusReaction
- C2H2 + OH = C2H + H2O
- (33700 2 7044.68)
-reversibleArrheniusReaction
- C2H2 + C2H = C4H2 + H
- (9.6e+10 0 0)
-reversibleArrheniusReaction
- C3H4 + O = C2H3 + HCO
- (3.2e+09 0 1011.41)
-reversibleArrheniusReaction
- C3H4 + O = C2H4 + CO
- (3.2e+09 0 1011.41)
-reversibleArrheniusReaction
- C3H4 + O = HCCO + CH3
- (6.3e+09 0 1011.41)
-reversibleArrheniusReaction
- C4H + H2 = H + C4H2
- (490 2.5 281.787)
-reversibleArrheniusReaction
- C4H2 + OH = C4H + H2O
- (33700 2 7044.68)
-reversibleArrheniusReaction
- C4H2 + O = C3H2 + CO
- (2.7e+10 0 865.489)
-reversibleArrheniusReaction
- C3H2 + O = C2H2 + CO
- (6.8e+10 0 0)
-reversibleArrheniusReaction
- C3H2 + OH = HCO + C2H2
- (6.8e+10 0 0)
-reversibleArrheniusReaction
- C2H2 + C2H = C4H3
- (4.5e+34 -7.68 3572.66)
-reversibleArrheniusReaction
- C3H2 + CH2 = C4H3 + H
- (5e+10 0 0)
-reversibleArrheniusReaction
- C4H2 + H = C4H3
- (1.1e+39 -8.72 7698.83)
-reversibleArrheniusReaction
- C4H3 + H = C2H2 + C2H2
- (6.3e+22 -3.34 5038.96)
-reversibleArrheniusReaction
- C4H3 + H = C4H2 + H2
- (1.5e+10 0 0)
-reversibleArrheniusReaction
- C4H3 + OH = C4H2 + H2O
- (2.5e+09 0 0)
-reversibleArrheniusReaction
- C2H2 + HCCO = C3H3 + CO
- (1e+08 0 1509.57)
-reversibleArrheniusReaction
- C3H2 + O2 = HCCO + CO + H
- (5e+10 0 0)
-reversibleArrheniusReaction
- HCCO + O = H + CO + CO
- (1e+11 0 0)
-reversibleArrheniusReaction
- HCCO + O2 = OH + 2CO
- (3.2e+09 0 429.725)
-reversibleArrheniusReaction
- HCCO + CH2 = C2H3 + CO
- (3e+10 0 0)
-reversibleArrheniusReaction
- HCCO + HCCO = C2H2 + CO + CO
- (1e+10 0 0)
-reversibleArrheniusReaction
- C2H + OH = H + HCCO
- (2e+10 0 0)
-reversibleArrheniusTroeFallOffReaction
- CH2 + CO = CH2CO
- ((2.69e+27 -5.11 3570.14) (8.1e+08 0.5 2269.39) (0.5907 275 1226 5185) (1 N2 0.7 CO 1.5 CO2 2 H2 2 H2O 6 CH4 2 C2H6 3))
-reversibleArrheniusReaction
- C2H2 + OH = CH2CO + H
- (2.18e-07 4.5 -503.191)
-reversibleArrheniusReaction
- CH2CO + H = HCCO + H2
- (5e+10 0 4025.53)
-reversibleArrheniusReaction
- CH2CO + H = CH3 + CO
- (1.13e+10 0 1724.94)
-reversibleArrheniusReaction
- CH2CO + O = HCCO + OH
- (5e+10 0 4025.53)
-reversibleArrheniusReaction
- CH2CO + O = CH2 + CO2
- (1.75e+09 0 679.308)
-reversibleArrheniusReaction
- CH2CO + OH = HCCO + H2O
- (7.5e+09 0 1006.38)
-reversibleArrheniusReaction
- C2H3 + O = CH2CO + H
- (3e+10 0 0)
-reversibleArrheniusReaction
- C3H3 + O2 = CH2CO + HCO
- (3e+07 0 1448.18)
-reversibleArrheniusReaction
- C4H3 + O2 = HCCO + CH2CO
- (7.86e+13 -1.8 0)
-reversibleArrheniusReaction
- O + CH2OH = OH + CH2O
- (1e+10 0 0)
-reversibleArrheniusTroeFallOffReaction
- H + CH2O = CH2OH
- ((1.27e+26 -4.82 3285.84) (5.4e+08 0.454 1811.49) (0.7187 103 1291 4160) (1 N2 0.7 CO 1.5 CO2 2 H2 2 H2O 6 CH4 2 C2H6 3))
-reversibleArrheniusReaction
- H + CH2OH = H2 + CH2O
- (2e+10 0 0)
-reversibleArrheniusReaction
- H + CH2OH = OH + CH3
- (1.65e+08 0.65 -142.906)
-reversibleArrheniusReaction
- H + CH3O = H + CH2OH
- (41500 1.63 968.14)
-reversibleArrheniusReaction
- C2H3 + O2 = O + CH2CHO
- (3.03e+08 0.29 5.5351)
-reversibleArrheniusReaction
- C2H3 + O2 = HO2 + C2H2
- (1337 1.61 -193.225)
-reversibleArrheniusReaction
- O + CH3CHO = OH + CH2CHO
- (2.92e+09 0 909.77)
-irreversibleArrheniusReaction
- O + CH3CHO = OH + CH3 + CO
- (2.92e+09 0 909.77)
-irreversibleArrheniusReaction
- O2 + CH3CHO = HO2 + CH3 + CO
- (3.01e+10 0 19699.9)
-reversibleArrheniusReaction
- H + CH3CHO = CH2CHO + H2
- (2.05e+06 1.16 1210.17)
-irreversibleArrheniusReaction
- H + CH3CHO = CH3 + H2 + CO
- (2.05e+06 1.16 1210.17)
-irreversibleArrheniusReaction
- OH + CH3CHO = CH3 + H2O + CO
- (2.343e+07 0.73 -560.052)
-irreversibleArrheniusReaction
- HO2 + CH3CHO = CH3 + H2O2 + CO
- (3.01e+09 0 5999.55)
-irreversibleArrheniusReaction
- CH3 + CH3CHO = CH3 + CH4 + CO
- (2720 1.77 2978.89)
-reversibleArrheniusTroeFallOffReaction
- H + CH2CO = CH2CHO
- ((1.012e+36 -7.63 1939.3) (4.865e+08 0.422 -883.101) (0.465 201 1773 5333) (1 N2 0.7 CO 1.5 CO2 2 H2 2 H2O 6 CH4 2 C2H6 3))
-irreversibleArrheniusReaction
- O + CH2CHO = H + CH2 + CO2
- (1.5e+11 0 0)
-irreversibleArrheniusReaction
- O2 + CH2CHO = OH + CO + CH2O
- (1.81e+07 0 0)
-irreversibleArrheniusReaction
- O2 + CH2CHO = OH + 2HCO
- (2.35e+07 0 0)
-reversibleArrheniusReaction
- H + CH2CHO = CH3 + HCO
- (2.2e+10 0 0)
-reversibleArrheniusReaction
- H + CH2CHO = CH2CO + H2
- (1.1e+10 0 0)
-reversibleArrheniusReaction
- OH + CH2CHO = H2O + CH2CO
- (1.2e+10 0 0)
-reversibleArrheniusReaction
- OH + CH2CHO = HCO + CH2OH
- (3.01e+10 0 0)
-reversibleArrheniusTroeFallOffReaction
- C3H8 = C2H5 + CH3
- ((2.237e+24 -2.88 33939.2) (9.9e+22 -1.6 42483.9) (1 1e-15 1500 1e+15) (1 N2 0.7 CO 1.5 CO2 2 H2 2 H2O 6 CH4 2 C2H6 3 C3H8 4))
-reversibleArrheniusReaction
- O + C3H8 = OH + C3H7
- (193 2.68 1869.86)
-reversibleArrheniusReaction
- H + C3H8 = C3H7 + H2
- (1020 2.34 3399.56)
-reversibleArrheniusReaction
- OH + C3H8 = C3H7 + H2O
- (31600 1.8 469.981)
-reversibleArrheniusReaction
- C3H7 + H2O2 = HO2 + C3H8
- (0.378 2.72 754.787)
-reversibleArrheniusReaction
- CH3 + C3H8 = C3H7 + CH4
- (0.000903 3.65 3599.83)
-reversibleArrheniusReaction
- C3H8 + C2H5 = C3H7 + C2H6
- (0.0009 3.65 4599.17)
-reversibleArrheniusReaction
- C3H8 + C2H3 = C3H7 + C2H4
- (0.6 3.3 5284.51)
-reversibleArrheniusTroeFallOffReaction
- CH3 + C2H4 = C3H7
- ((3e+57 -14.6 9142.98) (2550 1.6 2868.19) (0.1894 277 8748 7891) (1 N2 0.7 CO 1.5 CO2 2 H2 2 H2O 6 CH4 2 C2H6 3 C3H8 4))
-reversibleArrheniusReaction
- O + C3H7 = C2H5 + CH2O
- (9.64e+10 0 0)
-reversibleArrheniusTroeFallOffReaction
- H + C3H7 = C3H8
- ((4.42e+55 -13.545 5714.74) (3.613e+10 0 0) (0.315 369 3285 6667) (1 N2 0.7 CO 1.5 CO2 2 H2 2 H2O 6 CH4 2 C2H6 3))
-reversibleArrheniusReaction
- H + C3H7 = CH3 + C2H5
- (4060 2.19 447.84)
-reversibleArrheniusReaction
- CH2 + C3H8 = CH3 + C3H7
- (0.0015 3.46 3758.84)
-reversibleArrheniusReaction
- OH + C3H7 = C2H5 + CH2OH
- (2.41e+10 0 0)
-reversibleArrheniusReaction
- HO2 + C3H7 = O2 + C3H8
- (2.55e+07 0.255 -474.509)
-irreversibleArrheniusReaction
- HO2 + C3H7 = OH + C2H5 + CH2O
- (2.41e+10 0 0)
-reversibleArrheniusReaction
- CH3 + C3H7 = 2C2H5
- (1.927e+10 -0.32 0)
-reversibleArrheniusReaction
- C3H7 + CH3 = CH4 + C3H6
- (1.1e+10 0 0)
-reversibleArrheniusReaction
- C3H6 + C2H5 = C3H5 + C2H6
- (0.00223 3.5 3341.19)
-reversibleArrheniusReaction
- C3H6 + O = CH3 + CH3CO
- (68 2.56 -568.606)
-)
-
diff --git a/applications/test/readCHEMKINIII/readCHEMKINIII.C b/applications/test/readCHEMKINIII/readCHEMKINIII.C
deleted file mode 100644
index 32aaab1..0000000
--- a/applications/test/readCHEMKINIII/readCHEMKINIII.C
+++ /dev/null
@@ -1,99 +0,0 @@
-/*---------------------------------------------------------------------------*\
- ========= |
- \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
- \\ / O peration |
- \\ / A nd | Copyright (C) 1991-2010 OpenCFD Ltd.
- \\/ M anipulation |
--------------------------------------------------------------------------------
-License
- This file is part of OpenFOAM.
-
- OpenFOAM is free software: you can redistribute it and/or modify it
- under the terms of the GNU General Public License as published by
- the Free Software Foundation, either version 3 of the License, or
- (at your option) any later version.
-
- OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
- ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
- FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
- for more details.
-
- You should have received a copy of the GNU General Public License
- along with OpenFOAM. If not, see <http://www.gnu.org/licenses/>.
-
-\*---------------------------------------------------------------------------*/
-
-#include <reactionThermophysicalModels/chemkinReader.H>
-#include <OpenFOAM/argList.H>
-#include <OpenFOAM/IFstream.H>
-#include <OpenFOAM/OFstream.H>
-
-using namespace Foam;
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-// Main program:
-
-int main(int argc, char *argv[])
-{
- argList::validArgs.clear();
- argList::validArgs.append("CHEMKINIIIFile");
- argList::validOptions.insert("thermo", "fileName");
- argList args(argc, argv);
-
- fileName thermoFileName = fileName::null;
- if (args.options().found("thermo"))
- {
- thermoFileName = args.options()["thermo"];
- }
-
- fileName CHEMKINFileName(args.additionalArgs()[0]);
-
- chemkinReader ck(CHEMKINFileName, thermoFileName);
-
- //Info<< ck.isotopeAtomicWts() << endl;
- //Info<< ck.specieNames() << endl;
- //Info<< ck.speciePhase() << endl;
- //Info<< ck.specieThermo() << endl;
- //Info<< ck.reactions() << endl;
-
- const SLPtrList<gasReaction>& reactions = ck.reactions();
-
- {
- OFstream reactionStream("reactions");
- reactionStream<< reactions << endl;
- }
-
- {
- IFstream reactionStream("reactions");
-
- label nReactions(readLabel(reactionStream));
- reactionStream.readBeginList(args.executable().c_str());
-
- PtrList<gasReaction> testReactions(nReactions);
-
- forAll (testReactions, i)
- {
- testReactions.set
- (
- i,
- gasReaction::New
- (
- ck.species(),
- ck.speciesThermo(),
- reactionStream
- )
- );
- }
-
- reactionStream.readEndList(args.executable().c_str());
-
- Info<< testReactions << endl;
- }
-
- Info << "End\n" << endl;
-
- return 0;
-}
-
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/mesh/conversion/kivaToFoam/kiva3v-valves.pdf b/applications/utilities/mesh/conversion/kivaToFoam/kiva3v-valves.pdf
deleted file mode 100644
index 7a7f8be..0000000
Binary files a/applications/utilities/mesh/conversion/kivaToFoam/kiva3v-valves.pdf and /dev/null differ
diff --git a/applications/utilities/mesh/conversion/kivaToFoam/kiva3v-valves.ps b/applications/utilities/mesh/conversion/kivaToFoam/kiva3v-valves.ps
deleted file mode 100644
index 93b98a4..0000000
--- a/applications/utilities/mesh/conversion/kivaToFoam/kiva3v-valves.ps
+++ /dev/null
@@ -1,7604 +0,0 @@
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-rVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nqtp9fqtp9fqtp9f
-qtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9f
-qtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FV
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-n*f`6n*f`6n*f`6n*f`6hr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>K
-hr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>K^V at Ou
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-It)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rt
-It)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2or
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-rVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]n
-rVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]n
-qtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9f
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-p\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVn*f`6n*f`6
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-hr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>K
-hr!>Khr!>K^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou
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-^V at Ou^V at OuIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rt
-It)rtIt)rtIt)rtrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2or
-rr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2or
-rr2orrr2orrr2orrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]n
-rVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9f
-qtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FV
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-n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6
-n*f`6n*f`6n*f`6n*f`6n*f`6hr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>K
-hr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>K
-hr!>Khr!>Khr!>Khr!>Khr!>K^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou
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-It)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rt
-It)rtIt)rtIt)rtIt)rtIt)rtIt)rtrr2orrr2orrr2orrr2orrr2orrr2orrr2or
-rr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2or
-rr2orrr2orrr2orrr2orrr2orrr2orrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]n
-rVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nqtp9fqtp9fqtp9fqtp9fqtp9fqtp9f
-qtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fp\4FV
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-p\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVn*f`6n*f`6n*f`6n*f`6n*f`6
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-n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6hr!>Khr!>Khr!>Khr!>Khr!>K
-hr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>K
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-^V at Ou^V at OuIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rt
-It)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rt
-It)rtIt)rtrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2or
-rr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrVc]nrVc]nrVc]n
-rVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]n
-rVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nqtp9fqtp9fqtp9f
-qtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9f
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-n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6
-n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6hr!>Khr!>K
-hr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>K^V at Ou
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-It)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rt
-It)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rt~>
-Q
-0 0 6120 0 0 7920 ^ Y
-2477.5 5514.96 0 1323.79 -270 0 ^ -367.5 0 0 -213.71 990 0 ^ -352.5 0 H
-S
-255 G
-3707.5 5522.46 0 1323.79 -270 0 ^ -367.5 0 0 -213.71 990 0 ^ -352.5 0 f*
-3707.5 5522.46 0 1323.79 -270 0 ^ -367.5 0 0 -213.71 990 0 ^ -352.5 0 Y
-K
-q[1120 0 0 1600 3000 5300]concat
-112 1280 false[112 0 0 -1280 0 1280]@X imagemask
-rr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2or
-rr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2or
-rr2orrr2orrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]n
-rVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]n
-rVc]nrVc]nrVc]nrVc]nqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9f
-qtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FV
-p\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVn*f`6
-n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6
-n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6hr!>K
-hr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>K
-hr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>K
-hr!>K^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou
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-It)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rt
-It)rtIt)rtIt)rtIt)rtIt)rtIt)rtrr2orrr2orrr2orrr2orrr2orrr2orrr2or
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-rr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]n
-rVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nqtp9fqtp9f
-qtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9f
-qtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fp\4FVp\4FVp\4FVp\4FVp\4FVp\4FV
-p\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FV
-p\4FVp\4FVp\4FVn*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6
-n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6
-n*f`6n*f`6n*f`6n*f`6n*f`6hr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>K
-hr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>K^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou
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-^V at Ou^V at Ou^V at Ou^V at Ou^V at OuIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rt
-It)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rt
-It)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2or
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-rr2orrr2orrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]n
-rVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]n
-rVc]nrVc]nqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9f
-qtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fp\4FVp\4FVp\4FVp\4FVp\4FVp\4FV
-p\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FV
-p\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVn*f`6n*f`6n*f`6n*f`6
-n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6hr!>K
-hr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>K
-hr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>K
-^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou
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-It)rtIt)rtIt)rtIt)rtIt)rtIt)rtrr2orrr2orrr2orrr2orrr2orrr2orrr2or
-rr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrVc]nrVc]nrVc]nrVc]n
-rVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]n
-rVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nqtp9fqtp9f
-qtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9f
-qtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9f
-p\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FV
-p\4FVp\4FVp\4FVn*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6
-n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6hr!>Khr!>Khr!>Khr!>Khr!>Khr!>K
-hr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>K
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-rVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]n
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-rVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]n
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-qtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fp\4FVp\4FVp\4FVp\4FVp\4FVp\4FV
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-qtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fp\4FVp\4FVp\4FVp\4FVp\4FVp\4FV
-p\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FV
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-n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6hr!>K
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-It)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtrr2orrr2orrr2orrr2orrr2orrr2or
-rr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2or
-rr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrVc]nrVc]nrVc]nrVc]n
-rVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]n
-rVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nqtp9fqtp9f
-qtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9f
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-n*f`6n*f`6n*f`6n*f`6n*f`6hr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>K
-hr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>K^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou
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-It)rtIt)rtIt)rtIt)rtrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2or
-rr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2or
-rr2orrr2orrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]n
-rVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]n
-rVc]nrVc]nrVc]nrVc]nqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9f
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-p\4FVp\4FVn*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6
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-rr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2or
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-rVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nqtp9fqtp9fqtp9fqtp9fqtp9f
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-p\4FVp\4FVp\4FVn*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6
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-n*f`6n*f`6n*f`6n*f`6n*f`6hr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>K
-hr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>K^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou
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-It)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2or
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-rVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]n
-rVc]nrVc]nrVc]nrVc]nrVc]nqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9f
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-n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6hr!>K
-hr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>K
-hr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>K
-hr!>K^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou
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-It)rtIt)rtIt)rtIt)rtIt)rtIt)rtrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2or
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-rVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]n
-rVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nqtp9fqtp9f
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-n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6n*f`6hr!>Khr!>K
-hr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>K
-hr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>K^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou
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-It)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2or
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-rr2orrr2orrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]n
-rVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]nrVc]n
-rVc]nrVc]nrVc]nrVc]nqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9f
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-hr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>K
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-n*f`6n*f`6n*f`6n*f`6n*f`6hr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>K
-hr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>Khr!>K^V at Ou^V at Ou^V at Ou^V at Ou^V at Ou
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-Q
-0 0 6120 0 0 7920 ^ Y
-3707.5 5522.46 0 1323.79 -270 0 ^ -367.5 0 0 -213.71 990 0 ^ -352.5 0 H
-S
-255 G
-970 4892.5 262.5 217.5 rf
-970 4892 263 0 0 218 ^ Y
-K
-q[320 0 0 320 920 4820]concat
-32 256 false[32 0 0 -256 0 256]@X imagemask
-rr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrVc]nrVc]nrVc]nrVc]nrVc]n
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-^V at Ou^V at Ou^V at Ou^V at OuIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtrr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrVc]nrVc]nrVc]nrVc]nrVc]n
-rVc]nrVc]nrVc]nqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fqtp9fp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVp\4FVn*f`6n*f`6n*f`6n*f`6n*f`6n*f`6
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-^V at Ou^V at Ou^V at Ou^V at Ou^V at OuIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rtIt)rt
-rr2orrr2orrr2orrr2orrr2orrr2orrr2orrr2orrVc]nrVc]nrVc]nrVc]nrVc]n
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-end showpage pagesave restore
-%%PageTrailer
-%%Trailer
-%%Pages: 3
-%%EOF
diff --git a/applications/utilities/postProcessing/dataConversion/foamToFieldview9/CMakeLists.txt b/applications/utilities/postProcessing/dataConversion/foamToFieldview9/CMakeLists.txt
deleted file mode 100644
index 7fd0c23..0000000
--- a/applications/utilities/postProcessing/dataConversion/foamToFieldview9/CMakeLists.txt
+++ /dev/null
@@ -1,42 +0,0 @@
-#-------------------------------------------------------------------------------
-# ______ _ ____ __ __
-# | ____| _| |_ / __ \ /\ | \/ |
-# | |__ _ __ ___ ___ / \| | | | / \ | \ / |
-# | __| '__/ _ \/ _ ( (| |) ) | | |/ /\ \ | |\/| |
-# | | | | | __/ __/\_ _/| |__| / ____ \| | | |
-# |_| |_| \___|\___| |_| \____/_/ \_\_| |_|
-#
-# FreeFOAM: The Cross-Platform CFD Toolkit
-#
-# Copyright (C) 2008-2012 Michael Wild <themiwi at users.sf.net>
-# Gerber van der Graaf <gerber_graaf at users.sf.net>
-#-------------------------------------------------------------------------------
-# License
-# This file is part of FreeFOAM.
-#
-# FreeFOAM is free software: you can redistribute it and/or modify it
-# under the terms of the GNU General Public License as published by the
-# Free Software Foundation, either version 3 of the License, or (at your
-# option) any later version.
-#
-# FreeFOAM is distributed in the hope that it will be useful, but WITHOUT
-# ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-# FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
-# for more details.
-#
-# You should have received a copy of the GNU General Public License
-# along with FreeFOAM. If not, see <http://www.gnu.org/licenses/>.
-#-------------------------------------------------------------------------------
-
-foam_add_executable(foamToFieldview9)
-
-foam_target_link_libraries(foamToFieldview9
- OpenFOAM
- finiteVolume
- lagrangian
- genericPatchFields
- )
-
-foam_install_targets(foamToFieldview9)
-
-# ------------------------- vim: set sw=2 sts=2 et: --------------- end-of-file
diff --git a/applications/utilities/postProcessing/dataConversion/foamToFieldview9/calcFaceAddressing.C b/applications/utilities/postProcessing/dataConversion/foamToFieldview9/calcFaceAddressing.C
deleted file mode 100644
index 002c0e7..0000000
--- a/applications/utilities/postProcessing/dataConversion/foamToFieldview9/calcFaceAddressing.C
+++ /dev/null
@@ -1,91 +0,0 @@
-/*---------------------------------------------------------------------------*\
- ========= |
- \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
- \\ / O peration |
- \\ / A nd | Copyright (C) 1991-2010 OpenCFD Ltd.
- \\/ M anipulation |
--------------------------------------------------------------------------------
-License
- This file is part of OpenFOAM.
-
- OpenFOAM is free software: you can redistribute it and/or modify it
- under the terms of the GNU General Public License as published by
- the Free Software Foundation, either version 3 of the License, or
- (at your option) any later version.
-
- OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
- ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
- FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
- for more details.
-
- You should have received a copy of the GNU General Public License
- along with OpenFOAM. If not, see <http://www.gnu.org/licenses/>.
-
-Description
-
-\*---------------------------------------------------------------------------*/
-
-#include "calcFaceAddressing.H"
-
-using namespace Foam;
-
-// * * * * * * * * * * * * * * * Friend Functions * * * * * * * * * * * * * //
-
-// Returns the face labels of the shape in an order consistent with the
-// shape.
-labelList calcFaceAddressing
-(
- const faceList& allFaces, // faces given faceLabels
- const cellShape& shape,
- const labelList& faces, // faceLabels for given cell
- const label cellI
-)
-{
- // return value.
- labelList shapeToMesh(shape.nFaces(), -1);
-
- const faceList modelFaces(shape.faces());
-
- // Loop over all faces of cellShape
- forAll(modelFaces, cellFaceI)
- {
- // face (vertex list)
- const face& modelFace = modelFaces[cellFaceI];
-
- // Loop over all face labels
- forAll(faces, faceI)
- {
- const face& vertLabels = allFaces[faces[faceI]];
-
- if (vertLabels == modelFace)
- {
- //Info<< "match:" << modelFace
- // << " to " << vertLabels << endl;
- shapeToMesh[cellFaceI] = faces[faceI];
- break;
- }
- }
-
- if (shapeToMesh[cellFaceI] == -1)
- {
- FatalErrorIn("foamToFieldview : calcFaceAddressing")
- << "calcFaceAddressing : can't match face to shape.\n"
- << " shape face:" << modelFace << endl
- << " face labels:" << faces << endl
- << " cellI:" << cellI << endl;
-
- FatalError << "Faces consist of vertices:" << endl;
- forAll(faces, faceI)
- {
- FatalError
- << " face:" << faces[faceI]
- << allFaces[faces[faceI]] << endl;
- }
- FatalError << exit(FatalError);
- }
- }
- return shapeToMesh;
-}
-
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/dataConversion/foamToFieldview9/calcFaceAddressing.H b/applications/utilities/postProcessing/dataConversion/foamToFieldview9/calcFaceAddressing.H
deleted file mode 100644
index 261e7cf..0000000
--- a/applications/utilities/postProcessing/dataConversion/foamToFieldview9/calcFaceAddressing.H
+++ /dev/null
@@ -1,55 +0,0 @@
-/*---------------------------------------------------------------------------*\
- ========= |
- \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
- \\ / O peration |
- \\ / A nd | Copyright (C) 1991-2010 OpenCFD Ltd.
- \\/ M anipulation |
--------------------------------------------------------------------------------
-License
- This file is part of OpenFOAM.
-
- OpenFOAM is free software: you can redistribute it and/or modify it
- under the terms of the GNU General Public License as published by
- the Free Software Foundation, either version 3 of the License, or
- (at your option) any later version.
-
- OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
- ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
- FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
- for more details.
-
- You should have received a copy of the GNU General Public License
- along with OpenFOAM. If not, see <http://www.gnu.org/licenses/>.
-
-InClass
- Foam::calcFaceAddressing
-
-Description
-
-SourceFiles
- calcFaceAddressing.C
-
-\*---------------------------------------------------------------------------*/
-
-#ifndef calcFaceAddressing_H
-#define calcFaceAddressing_H
-
-#include <OpenFOAM/faceList.H>
-#include <OpenFOAM/cellShape.H>
-#include <OpenFOAM/labelList.H>
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-Foam::labelList calcFaceAddressing
-(
- const Foam::faceList& allFaces, // faces given faceLabels
- const Foam::cellShape& shape,
- const Foam::labelList& faces, // faceLabels for given cell
- const Foam::label cellI
-);
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#endif
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/dataConversion/foamToFieldview9/createFields.H b/applications/utilities/postProcessing/dataConversion/foamToFieldview9/createFields.H
deleted file mode 100644
index 77f5f0e..0000000
--- a/applications/utilities/postProcessing/dataConversion/foamToFieldview9/createFields.H
+++ /dev/null
@@ -1,197 +0,0 @@
-// Construct List of pointers to all vol fields
-int nFields = volScalarNames.size() + 3*volVectorNames.size();
-List<volScalarField*> volFieldPtrs
-(
- nFields,
- reinterpret_cast<volScalarField*>(0)
-);
-
-stringList volFieldNames(nFields);
-
-nFields = 0;
-{
- // Load all scalar fields and store ptr to it
- forAll(volScalarNames, fieldI)
- {
- word fieldName = volScalarNames[fieldI];
-
- // Check if present
- IOobject ioHeader
- (
- fieldName,
- runTime.timeName(),
- mesh,
- IOobject::MUST_READ,
- IOobject::NO_WRITE
- );
-
- if (ioHeader.headerOk())
- {
- volFieldPtrs[nFields] = new volScalarField
- (
- ioHeader,
- mesh
- );
- }
-
- fieldName = getFieldViewName(fieldName);
-
- volFieldNames[nFields] = fieldName;
-
- nFields++;
- }
-
-
- // Load all (componenents of) vector fields
- forAll(volVectorNames, fieldI)
- {
- word fieldName = volVectorNames[fieldI];
-
- // Check if present
- IOobject ioHeader
- (
- fieldName,
- runTime.timeName(),
- mesh,
- IOobject::MUST_READ,
- IOobject::NO_WRITE
- );
-
- if (ioHeader.headerOk())
- {
- volVectorField vvf(ioHeader, mesh);
-
- // X component
- volFieldPtrs[nFields] =
- new volScalarField
- (
- vvf.component(vector::X)
- );
-
- // Y component
- volFieldPtrs[nFields+1] =
- new volScalarField
- (
- vvf.component(vector::Y)
- );
-
- // Z component
- volFieldPtrs[nFields+2] =
- new volScalarField
- (
- vvf.component(vector::Z)
- );
- }
-
- fieldName = getFieldViewName(fieldName);
-
- volFieldNames[nFields] = fieldName + ("x;" + fieldName);
- volFieldNames[nFields+1] = fieldName + "y";
- volFieldNames[nFields+2] = fieldName + "z";
-
- nFields += 3;
- }
-}
-
-
-
-//
-// Construct List of pointers to all surface fields
-//
-
-
-
-int nSurfFields = surfScalarNames.size() + 3*surfVectorNames.size();
-List<surfaceScalarField*> surfFieldPtrs
-(
- nSurfFields,
- reinterpret_cast<surfaceScalarField*>(0)
-);
-
-stringList surfFieldNames(nSurfFields);
-
-nSurfFields = 0;
-{
- // Load all scalar fields
- forAll(surfScalarNames, fieldI)
- {
- word fieldName = surfScalarNames[fieldI];
-
- // Check if present
- IOobject ioHeader
- (
- fieldName,
- runTime.timeName(),
- mesh,
- IOobject::MUST_READ,
- IOobject::NO_WRITE
- );
-
- if (ioHeader.headerOk())
- {
- surfFieldPtrs[nSurfFields] =
- new surfaceScalarField
- (
- ioHeader,
- mesh
- );
- }
-
- fieldName = getFieldViewName(fieldName);
-
- surfFieldNames[nSurfFields] = fieldName;
-
- nSurfFields++;
- }
-
-
- // Set (componenents of) vector fields
- forAll(surfVectorNames, fieldI)
- {
- word fieldName = surfVectorNames[fieldI];
-
- // Check if present
- IOobject ioHeader
- (
- fieldName,
- runTime.timeName(),
- mesh,
- IOobject::MUST_READ,
- IOobject::NO_WRITE
- );
-
- if (ioHeader.headerOk())
- {
- surfaceVectorField svf(ioHeader, mesh);
-
- // X component
- surfFieldPtrs[nSurfFields] =
- new surfaceScalarField
- (
- svf.component(vector::X)
- );
-
- // Y component
- surfFieldPtrs[nSurfFields+1] =
- new surfaceScalarField
- (
- svf.component(vector::Y)
- );
-
- // Z component
- surfFieldPtrs[nSurfFields+2] =
- new surfaceScalarField
- (
- svf.component(vector::Z)
- );
- }
-
- fieldName = getFieldViewName(fieldName);
-
- surfFieldNames[nSurfFields] = fieldName + ("x;" + fieldName);
- surfFieldNames[nSurfFields+1] = fieldName + "y";
- surfFieldNames[nSurfFields+2] = fieldName + "z";
-
- nSurfFields += 3;
- }
-}
diff --git a/applications/utilities/postProcessing/dataConversion/foamToFieldview9/createSprayFields.H b/applications/utilities/postProcessing/dataConversion/foamToFieldview9/createSprayFields.H
deleted file mode 100644
index 7d97774..0000000
--- a/applications/utilities/postProcessing/dataConversion/foamToFieldview9/createSprayFields.H
+++ /dev/null
@@ -1,77 +0,0 @@
-// Construct of ptrs to all spray fields
-List<IOField<scalar>* > sprayScalarFieldPtrs
-(
- sprayScalarNames.size(),
- reinterpret_cast<IOField<scalar>*>(0)
-);
-
-List<IOField<vector>* > sprayVectorFieldPtrs
-(
- sprayVectorNames.size(),
- reinterpret_cast<IOField<vector>*>(0)
-);
-
-{
- int sprayFieldI = 0;
-
- // Set scalar fields
- forAll(sprayScalarNames, fieldI)
- {
- IOobject ioHeader
- (
- sprayScalarNames[fieldI],
- runTime.timeName(),
- cloud::prefix,
- mesh,
- IOobject::MUST_READ,
- IOobject::NO_WRITE
- );
-
- if (ioHeader.headerOk())
- {
- sprayScalarFieldPtrs[sprayFieldI] = new IOField<scalar>(ioHeader);
- }
- else
- {
- Info<< " dummy lagrangian field for "
- << sprayScalarNames[fieldI] << endl;
- }
-
- sprayFieldI++;
- }
-}
-
-
-// Set vector fields
-
-{
- int sprayFieldI = 0;
-
- forAll(sprayVectorNames, fieldI)
- {
- IOobject ioHeader
- (
- sprayVectorNames[fieldI],
- runTime.timeName(),
- cloud::prefix,
- mesh,
- IOobject::MUST_READ,
- IOobject::NO_WRITE
- );
-
- if (ioHeader.headerOk())
- {
- sprayVectorFieldPtrs[sprayFieldI] = new IOField<vector>(ioHeader);
- }
- else
- {
- Info<< " dummy lagrangian field for "
- << sprayVectorNames[fieldI] << endl;
- }
-
- sprayFieldI++;
- }
-}
-
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/dataConversion/foamToFieldview9/fieldviewTopology.C b/applications/utilities/postProcessing/dataConversion/foamToFieldview9/fieldviewTopology.C
deleted file mode 100644
index ef30585..0000000
--- a/applications/utilities/postProcessing/dataConversion/foamToFieldview9/fieldviewTopology.C
+++ /dev/null
@@ -1,438 +0,0 @@
-/*---------------------------------------------------------------------------*\
- ========= |
- \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
- \\ / O peration |
- \\ / A nd | Copyright (C) 1991-2010 OpenCFD Ltd.
- \\/ M anipulation |
--------------------------------------------------------------------------------
-License
- This file is part of OpenFOAM.
-
- OpenFOAM is free software: you can redistribute it and/or modify it
- under the terms of the GNU General Public License as published by
- the Free Software Foundation, either version 3 of the License, or
- (at your option) any later version.
-
- OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
- ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
- FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
- for more details.
-
- You should have received a copy of the GNU General Public License
- along with OpenFOAM. If not, see <http://www.gnu.org/licenses/>.
-
-Description
-
-\*---------------------------------------------------------------------------*/
-
-#include "fieldviewTopology.H"
-#include <OpenFOAM/polyMesh.H>
-#include <OpenFOAM/cellShape.H>
-#include <OpenFOAM/cellModeller.H>
-#include <OpenFOAM/wallPolyPatch.H>
-#include <OpenFOAM/symmetryPolyPatch.H>
-
-
-#include "fv_reader_tags.h"
-
-extern "C"
-{
- unsigned int fv_encode_elem_header(int elem_type, int wall_info[]);
-}
-
-
-// * * * * * * * * * * * * * Private Member Functions * * * * * * * * * * * //
-
-Foam::labelList Foam::fieldviewTopology::calcFaceAddressing
-(
- const faceList& allFaces, // faces given faceLabels
- const cellShape& shape,
- const labelList& faces, // faceLabels for given cell
- const label cellI
-)
-{
- // return value.
- labelList shapeToMesh(shape.nFaces(), -1);
-
- const faceList modelFaces(shape.faces());
-
- // Loop over all faces of cellShape
- forAll(modelFaces, cellFaceI)
- {
- // face (vertex list)
- const face& modelFace = modelFaces[cellFaceI];
-
- // Loop over all face labels
- forAll(faces, faceI)
- {
- const face& vertLabels = allFaces[faces[faceI]];
-
- if (vertLabels == modelFace)
- {
- shapeToMesh[cellFaceI] = faces[faceI];
- break;
- }
- }
-
- if (shapeToMesh[cellFaceI] == -1)
- {
- FatalErrorIn("foamToFieldview : calcFaceAddressing")
- << "calcFaceAddressing : can't match face to shape.\n"
- << " shape face:" << modelFace << endl
- << " face labels:" << faces << endl
- << " cellI:" << cellI << endl;
-
- FatalError << "Faces consist of vertices:" << endl;
- forAll(faces, faceI)
- {
- FatalError
- << " face:" << faces[faceI]
- << allFaces[faces[faceI]] << endl;
- }
- FatalError << exit(FatalError);
- }
- }
- return shapeToMesh;
-}
-
-
-// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
-
-// Construct from components
-Foam::fieldviewTopology::fieldviewTopology
-(
- const polyMesh& mesh,
- const bool setWallInfo
-)
-:
- hexLabels_((1+8)*mesh.nCells()),
- prismLabels_((1+6)*mesh.nCells()),
- pyrLabels_((1+5)*mesh.nCells()),
- tetLabels_((1+4)*mesh.nCells()),
- nPoly_(0),
- quadFaceLabels_(mesh.boundaryMesh().size()),
- nPolyFaces_(mesh.boundaryMesh().size())
-{
- // Mark all faces that are to be seen as wall for particle
- // tracking and all cells that use one or more of these walls
-
- labelList wallFace(mesh.nFaces(), NOT_A_WALL);
- boolList wallCell(mesh.nCells(), false);
-
- if (setWallInfo)
- {
- forAll (mesh.boundaryMesh(), patchI)
- {
- const polyPatch& currPatch = mesh.boundaryMesh()[patchI];
- if
- (
- isA<wallPolyPatch>(currPatch)
- || isA<symmetryPolyPatch>(currPatch)
- )
- {
- forAll(currPatch, patchFaceI)
- {
- label meshFaceI = currPatch.start() + patchFaceI;
-
- wallFace[meshFaceI] = A_WALL;
- wallCell[mesh.faceOwner()[meshFaceI]] = true;
- }
- }
- }
- }
-
-
-
- const cellModel& tet = *(cellModeller::lookup("tet"));
- const cellModel& pyr = *(cellModeller::lookup("pyr"));
- const cellModel& prism = *(cellModeller::lookup("prism"));
- const cellModel& wedge = *(cellModeller::lookup("wedge"));
- const cellModel& tetWedge = *(cellModeller::lookup("tetWedge"));
- const cellModel& hex = *(cellModeller::lookup("hex"));
-
- // Pre calculate headers for cells not on walls
- labelList notWallFlags(6, NOT_A_WALL);
- label tetNotWall = fv_encode_elem_header
- (
- FV_TET_ELEM_ID, notWallFlags.begin()
- );
- label pyrNotWall = fv_encode_elem_header
- (
- FV_PYRA_ELEM_ID, notWallFlags.begin()
- );
- label prismNotWall = fv_encode_elem_header
- (
- FV_PRISM_ELEM_ID, notWallFlags.begin()
- );
- label hexNotWall = fv_encode_elem_header
- (
- FV_HEX_ELEM_ID, notWallFlags.begin()
- );
-
- // Some aliases
- const cellList& cellFaces = mesh.cells();
- const cellShapeList& cellShapes = mesh.cellShapes();
-
-
- label hexi = 0;
- label prismi = 0;
- label pyri = 0;
- label teti = 0;
-
- const faceList& allFaces = mesh.faces();
-
- labelList wallFlags(6);
- forAll(cellShapes, celli)
- {
- const cellShape& cellShape = cellShapes[celli];
- const cellModel& cellModel = cellShape.model();
-
- if (cellModel == tet)
- {
- if (!wallCell[celli])
- {
- tetLabels_[teti++] = tetNotWall;
- }
- else
- {
- labelList modelToMesh = calcFaceAddressing
- (
- allFaces, cellShape, cellFaces[celli], celli
- );
-
- wallFlags[0] = wallFace[modelToMesh[0]];
- wallFlags[1] = wallFace[modelToMesh[1]];
- wallFlags[2] = wallFace[modelToMesh[2]];
- wallFlags[3] = wallFace[modelToMesh[3]];
-
- tetLabels_[teti++] = fv_encode_elem_header
- (
- FV_TET_ELEM_ID, wallFlags.begin()
- );
- }
-
- tetLabels_[teti++] = cellShape[0] + 1;
- tetLabels_[teti++] = cellShape[1] + 1;
- tetLabels_[teti++] = cellShape[2] + 1;
- tetLabels_[teti++] = cellShape[3] + 1;
- }
- else if (cellModel == pyr)
- {
- if (!wallCell[celli])
- {
- pyrLabels_[pyri++] = pyrNotWall;
- }
- else
- {
- labelList modelToMesh = calcFaceAddressing
- (
- allFaces, cellShape, cellFaces[celli], celli
- );
-
- wallFlags[0] = wallFace[modelToMesh[0]];
- wallFlags[1] = wallFace[modelToMesh[3]];
- wallFlags[2] = wallFace[modelToMesh[2]];
- wallFlags[3] = wallFace[modelToMesh[1]];
- wallFlags[4] = wallFace[modelToMesh[4]];
-
- pyrLabels_[pyri++] = fv_encode_elem_header
- (
- FV_PYRA_ELEM_ID, wallFlags.begin()
- );
- }
-
- pyrLabels_[pyri++] = cellShape[0] + 1;
- pyrLabels_[pyri++] = cellShape[1] + 1;
- pyrLabels_[pyri++] = cellShape[2] + 1;
- pyrLabels_[pyri++] = cellShape[3] + 1;
- pyrLabels_[pyri++] = cellShape[4] + 1;
- }
- else if (cellModel == prism)
- {
- if (!wallCell[celli])
- {
- prismLabels_[prismi++] = prismNotWall;
- }
- else
- {
- labelList modelToMesh = calcFaceAddressing
- (
- allFaces, cellShape, cellFaces[celli], celli
- );
-
- wallFlags[0] = wallFace[modelToMesh[4]];
- wallFlags[1] = wallFace[modelToMesh[2]];
- wallFlags[2] = wallFace[modelToMesh[3]];
- wallFlags[3] = wallFace[modelToMesh[0]];
- wallFlags[4] = wallFace[modelToMesh[1]];
-
- prismLabels_[prismi++] = fv_encode_elem_header
- (
- FV_PRISM_ELEM_ID, wallFlags.begin()
- );
- }
-
- prismLabels_[prismi++] = cellShape[0] + 1;
- prismLabels_[prismi++] = cellShape[3] + 1;
- prismLabels_[prismi++] = cellShape[4] + 1;
- prismLabels_[prismi++] = cellShape[1] + 1;
- prismLabels_[prismi++] = cellShape[5] + 1;
- prismLabels_[prismi++] = cellShape[2] + 1;
- }
- else if (cellModel == tetWedge)
- {
- // Treat as prism with collapsed edge
- if (!wallCell[celli])
- {
- prismLabels_[prismi++] = prismNotWall;
- }
- else
- {
- labelList modelToMesh = calcFaceAddressing
- (
- allFaces, cellShape, cellFaces[celli], celli
- );
-
- wallFlags[0] = wallFace[modelToMesh[1]];
- wallFlags[1] = wallFace[modelToMesh[2]];
- wallFlags[2] = wallFace[modelToMesh[3]];
- wallFlags[3] = wallFace[modelToMesh[0]];
- wallFlags[4] = wallFace[modelToMesh[3]];
-
- prismLabels_[prismi++] = fv_encode_elem_header
- (
- FV_PRISM_ELEM_ID, wallFlags.begin()
- );
- }
-
- prismLabels_[prismi++] = cellShape[0] + 1;
- prismLabels_[prismi++] = cellShape[3] + 1;
- prismLabels_[prismi++] = cellShape[4] + 1;
- prismLabels_[prismi++] = cellShape[1] + 1;
- prismLabels_[prismi++] = cellShape[4] + 1;
- prismLabels_[prismi++] = cellShape[2] + 1;
- }
- else if (cellModel == wedge)
- {
- if (!wallCell[celli])
- {
- hexLabels_[hexi++] = hexNotWall;
- }
- else
- {
- labelList modelToMesh = calcFaceAddressing
- (
- allFaces, cellShape, cellFaces[celli], celli
- );
-
- wallFlags[0] = wallFace[modelToMesh[2]];
- wallFlags[1] = wallFace[modelToMesh[3]];
- wallFlags[2] = wallFace[modelToMesh[0]];
- wallFlags[3] = wallFace[modelToMesh[1]];
- wallFlags[4] = wallFace[modelToMesh[4]];
- wallFlags[5] = wallFace[modelToMesh[5]];
-
- hexLabels_[hexi++] = fv_encode_elem_header
- (
- FV_HEX_ELEM_ID, wallFlags.begin()
- );
- }
- hexLabels_[hexi++] = cellShape[0] + 1;
- hexLabels_[hexi++] = cellShape[1] + 1;
- hexLabels_[hexi++] = cellShape[0] + 1;
- hexLabels_[hexi++] = cellShape[2] + 1;
- hexLabels_[hexi++] = cellShape[3] + 1;
- hexLabels_[hexi++] = cellShape[4] + 1;
- hexLabels_[hexi++] = cellShape[6] + 1;
- hexLabels_[hexi++] = cellShape[5] + 1;
- }
- else if (cellModel == hex)
- {
- if (!wallCell[celli])
- {
- hexLabels_[hexi++] = hexNotWall;
- }
- else
- {
- labelList modelToMesh = calcFaceAddressing
- (
- allFaces, cellShape, cellFaces[celli], celli
- );
-
- wallFlags[0] = wallFace[modelToMesh[0]];
- wallFlags[1] = wallFace[modelToMesh[1]];
- wallFlags[2] = wallFace[modelToMesh[4]];
- wallFlags[3] = wallFace[modelToMesh[5]];
- wallFlags[4] = wallFace[modelToMesh[2]];
- wallFlags[5] = wallFace[modelToMesh[3]];
-
- hexLabels_[hexi++] = fv_encode_elem_header
- (
- FV_HEX_ELEM_ID, wallFlags.begin()
- );
- }
- hexLabels_[hexi++] = cellShape[0] + 1;
- hexLabels_[hexi++] = cellShape[1] + 1;
- hexLabels_[hexi++] = cellShape[3] + 1;
- hexLabels_[hexi++] = cellShape[2] + 1;
- hexLabels_[hexi++] = cellShape[4] + 1;
- hexLabels_[hexi++] = cellShape[5] + 1;
- hexLabels_[hexi++] = cellShape[7] + 1;
- hexLabels_[hexi++] = cellShape[6] + 1;
- }
- else
- {
- nPoly_++;
- }
- }
-
- hexLabels_.setSize(hexi);
- prismLabels_.setSize(prismi);
- pyrLabels_.setSize(pyri);
- tetLabels_.setSize(teti);
-
-
- //
- // Patches
- //
- forAll(mesh.boundaryMesh(), patchI)
- {
- const polyPatch& patchFaces = mesh.boundaryMesh()[patchI];
-
- labelList& faceLabels = quadFaceLabels_[patchI];
-
- // Faces, each 4 labels. Size big enough
- faceLabels.setSize(patchFaces.size()*4);
-
- label labelI = 0;
-
- forAll(patchFaces, faceI)
- {
- const face& patchFace = patchFaces[faceI];
-
- if (patchFace.size() == 3)
- {
- faceLabels[labelI++] = patchFace[0] + 1;
- faceLabels[labelI++] = patchFace[1] + 1;
- faceLabels[labelI++] = patchFace[2] + 1;
- faceLabels[labelI++] = 0; // Fieldview:triangle definition
- }
- else if (patchFace.size() == 4)
- {
- faceLabels[labelI++] = patchFace[0] + 1;
- faceLabels[labelI++] = patchFace[1] + 1;
- faceLabels[labelI++] = patchFace[2] + 1;
- faceLabels[labelI++] = patchFace[3] + 1;
- }
- }
-
- faceLabels.setSize(labelI);
-
- label nFaces = labelI/4;
-
- nPolyFaces_[patchI] = patchFaces.size() - nFaces;
- }
-}
-
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/dataConversion/foamToFieldview9/fieldviewTopology.H b/applications/utilities/postProcessing/dataConversion/foamToFieldview9/fieldviewTopology.H
deleted file mode 100644
index b79eac1..0000000
--- a/applications/utilities/postProcessing/dataConversion/foamToFieldview9/fieldviewTopology.H
+++ /dev/null
@@ -1,176 +0,0 @@
-/*---------------------------------------------------------------------------*\
- ========= |
- \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
- \\ / O peration |
- \\ / A nd | Copyright (C) 1991-2010 OpenCFD Ltd.
- \\/ M anipulation |
--------------------------------------------------------------------------------
-License
- This file is part of OpenFOAM.
-
- OpenFOAM is free software: you can redistribute it and/or modify it
- under the terms of the GNU General Public License as published by
- the Free Software Foundation, either version 3 of the License, or
- (at your option) any later version.
-
- OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
- ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
- FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
- for more details.
-
- You should have received a copy of the GNU General Public License
- along with OpenFOAM. If not, see <http://www.gnu.org/licenses/>.
-
-Class
- Foam::fieldviewTopology
-
-Description
-
-SourceFiles
- fieldviewTopology.C
-
-\*---------------------------------------------------------------------------*/
-
-#ifndef fieldviewTopology_H
-#define fieldviewTopology_H
-
-#include <OpenFOAM/labelList.H>
-#include <OpenFOAM/faceList.H>
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-
-// Forward declaration of classes
-class polyMesh;
-class cellShape;
-
-/*---------------------------------------------------------------------------*\
- Class fieldviewTopology Declaration
-\*---------------------------------------------------------------------------*/
-
-class fieldviewTopology
-{
- // Private data
-
- //- Hexes in fieldview format
- labelList hexLabels_;
-
- labelList prismLabels_;
-
- labelList pyrLabels_;
-
- labelList tetLabels_;
-
- //- Number of non-hex/prism/pyr/tet labels
- label nPoly_;
-
-
- //
- // Patches
- //
-
- //- Quad and tri patch faces in fv format
- labelListList quadFaceLabels_;
-
- //- Number of polyhedral faces per patch
- labelList nPolyFaces_;
-
-
- // Private Member Functions
-
- static labelList calcFaceAddressing
- (
- const faceList& allFaces, // faces given faceLabels
- const cellShape& shape,
- const labelList& faces, // faceLabels for given cell
- const label cellI
- );
-
-
- //- Disallow default bitwise copy construct
- fieldviewTopology(const fieldviewTopology&);
-
- //- Disallow default bitwise assignment
- void operator=(const fieldviewTopology&);
-
-
-public:
-
- // Constructors
-
- //- Construct from components
- fieldviewTopology(const polyMesh& mesh, const bool setWallInfo);
-
-
- // Member Functions
-
- // Access
-
- const labelList& hexLabels() const
- {
- return hexLabels_;
- }
-
- const labelList& prismLabels() const
- {
- return prismLabels_;
- }
-
- const labelList& pyrLabels() const
- {
- return pyrLabels_;
- }
-
- const labelList& tetLabels() const
- {
- return tetLabels_;
- }
-
- label nHex() const
- {
- return hexLabels().size()/9;
- }
-
- label nPrism() const
- {
- return prismLabels().size()/7;
- }
-
- label nPyr() const
- {
- return pyrLabels().size()/6;
- }
-
- label nTet() const
- {
- return tetLabels().size()/5;
- }
-
- label nPoly() const
- {
- return nPoly_;
- }
-
- const labelListList& quadFaceLabels() const
- {
- return quadFaceLabels_;
- }
-
- const labelList& nPolyFaces() const
- {
- return nPolyFaces_;
- }
-};
-
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#endif
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/dataConversion/foamToFieldview9/files.cmake b/applications/utilities/postProcessing/dataConversion/foamToFieldview9/files.cmake
deleted file mode 100644
index 22549f5..0000000
--- a/applications/utilities/postProcessing/dataConversion/foamToFieldview9/files.cmake
+++ /dev/null
@@ -1,39 +0,0 @@
-#-------------------------------------------------------------------------------
-# ______ _ ____ __ __
-# | ____| _| |_ / __ \ /\ | \/ |
-# | |__ _ __ ___ ___ / \| | | | / \ | \ / |
-# | __| '__/ _ \/ _ ( (| |) ) | | |/ /\ \ | |\/| |
-# | | | | | __/ __/\_ _/| |__| / ____ \| | | |
-# |_| |_| \___|\___| |_| \____/_/ \_\_| |_|
-#
-# FreeFOAM: The Cross-Platform CFD Toolkit
-#
-# Copyright (C) 2008-2012 Michael Wild <themiwi at users.sf.net>
-# Gerber van der Graaf <gerber_graaf at users.sf.net>
-#-------------------------------------------------------------------------------
-# License
-# This file is part of FreeFOAM.
-#
-# FreeFOAM is free software: you can redistribute it and/or modify it
-# under the terms of the GNU General Public License as published by the
-# Free Software Foundation, either version 3 of the License, or (at your
-# option) any later version.
-#
-# FreeFOAM is distributed in the hope that it will be useful, but WITHOUT
-# ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-# FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
-# for more details.
-#
-# You should have received a copy of the GNU General Public License
-# along with FreeFOAM. If not, see <http://www.gnu.org/licenses/>.
-#-------------------------------------------------------------------------------
-
-set(SRCS
- foamToFieldview9.C
- fieldviewTopology.C
- write_binary_uns.c
- calcFaceAddressing.C
- writeFunctions.C
- ${FORCE_LINK_GENERIC_PATCH_FIELDS})
-
-# ------------------------- vim: set sw=2 sts=2 et: --------------- end-of-file
diff --git a/applications/utilities/postProcessing/dataConversion/foamToFieldview9/foamToFieldview9.C b/applications/utilities/postProcessing/dataConversion/foamToFieldview9/foamToFieldview9.C
deleted file mode 100644
index 51dac72..0000000
--- a/applications/utilities/postProcessing/dataConversion/foamToFieldview9/foamToFieldview9.C
+++ /dev/null
@@ -1,1024 +0,0 @@
-/*---------------------------------------------------------------------------*\
- ========= |
- \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
- \\ / O peration |
- \\ / A nd | Copyright (C) 1991-2010 OpenCFD Ltd.
- \\/ M anipulation |
--------------------------------------------------------------------------------
-License
- This file is part of OpenFOAM.
-
- OpenFOAM is free software: you can redistribute it and/or modify it
- under the terms of the GNU General Public License as published by
- the Free Software Foundation, either version 3 of the License, or
- (at your option) any later version.
-
- OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
- ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
- FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
- for more details.
-
- You should have received a copy of the GNU General Public License
- along with OpenFOAM. If not, see <http://www.gnu.org/licenses/>.
-
-Application
- foamToFieldview9
-
-Description
- Write out the OpenFOAM mesh in Version 3.0 Fieldview-UNS format (binary).
-
- See Fieldview Release 9 Reference Manual - Appendix D
- (Unstructured Data Format)
- Borrows various from uns/write_binary_uns.c from FieldView dist.
-
-Usage
-
- - foamToFieldview9 [OPTIONS]
-
- @param -noWall \n
- Do not export the walls.
-
- @param -noZero \n
- Ignore timestep 0.
-
- @param -constant \n
- Include the constant directory.
-
- @param -time \<time\>\n
- Apply only to specific time.
-
- @param -latestTime \n
- Only apply to latest time step.
-
- @param -case \<dir\>\n
- Case directory.
-
- @param -help \n
- Display help message.
-
- @param -doc \n
- Display Doxygen API documentation page for this application.
-
- @param -srcDoc \n
- Display Doxygen source documentation page for this application.
-
-\*---------------------------------------------------------------------------*/
-
-#include <OpenFOAM/argList.H>
-#include <OpenFOAM/timeSelector.H>
-#include <finiteVolume/volFields.H>
-#include <finiteVolume/surfaceFields.H>
-#include <OpenFOAM/pointFields.H>
-#include <OpenFOAM/scalarIOField.H>
-#include <finiteVolume/volPointInterpolation.H>
-#include <finiteVolume/wallFvPatch.H>
-#include <finiteVolume/symmetryFvPatch.H>
-
-#include <lagrangian/Cloud.H>
-#include <lagrangian/passiveParticle.H>
-
-#include <OpenFOAM/IOobjectList.H>
-#include <OpenFOAM/boolList.H>
-#include <OpenFOAM/stringList.H>
-#include <OpenFOAM/cellModeller.H>
-
-#include <OpenFOAM/floatScalar.H>
-#include "calcFaceAddressing.H"
-#include "writeFunctions.H"
-#include "fieldviewTopology.H"
-
-#include <fstream>
-
-#include "fv_reader_tags.h"
-
-extern "C"
-{
- unsigned int fv_encode_elem_header(int elem_type, int wall_info[]);
-}
-
-using namespace Foam;
-
-typedef Field<floatScalar> floatField;
-
-
-static HashTable<word> FieldviewNames;
-
-
-static word getFieldViewName(const word& foamName)
-{
- if (FieldviewNames.found(foamName))
- {
- return FieldviewNames[foamName];
- }
- else
- {
- return foamName;
- }
-}
-
-
-static void printNames(const wordList& names, Ostream& os)
-{
- forAll(names, fieldI)
- {
- Info<< " " << names[fieldI] << '/' << getFieldViewName(names[fieldI]);
- }
-}
-
-
-// Count number of vertices used by celli
-static label countVerts(const primitiveMesh& mesh, const label celli)
-{
- const cell& cll = mesh.cells()[celli];
-
- // Count number of vertices used
- labelHashSet usedVerts(10*cll.size());
-
- forAll(cll, cellFacei)
- {
- const face& f = mesh.faces()[cll[cellFacei]];
-
- forAll(f, fp)
- {
- if (!usedVerts.found(f[fp]))
- {
- usedVerts.insert(f[fp]);
- }
- }
- }
- return usedVerts.toc().size();
-}
-
-
-static void writeFaceData
-(
- const polyMesh& mesh,
- const fieldviewTopology& topo,
- const label patchI,
- const scalarField& patchField,
- const bool writePolyFaces,
- std::ofstream& fvFile
-)
-{
- const polyPatch& pp = mesh.boundaryMesh()[patchI];
-
- // Start off with dummy value.
- if (writePolyFaces)
- {
- floatField fField(topo.nPolyFaces()[patchI], 0.0);
-
- // Fill selected faces with field values
- label polyFaceI = 0;
- forAll(patchField, faceI)
- {
- if (pp[faceI].size() > 4)
- {
- fField[polyFaceI++] = float(patchField[faceI]);
- }
- }
-
- fvFile.write
- (
- reinterpret_cast<char*>(fField.begin()), fField.size()*sizeof(float)
- );
- }
- else
- {
- floatField fField(pp.size() - topo.nPolyFaces()[patchI], 0.0);
-
- // Fill selected faces with field values
- label quadFaceI = 0;
- forAll(patchField, faceI)
- {
- if (pp[faceI].size() <= 4)
- {
- fField[quadFaceI++] = float(patchField[faceI]);
- }
- }
-
- fvFile.write
- (
- reinterpret_cast<char*>(fField.begin()), fField.size()*sizeof(float)
- );
- }
-}
-
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-// Main program:
-
-int main(int argc, char *argv[])
-{
- argList::noParallel();
- argList::validOptions.insert("noWall", "");
- timeSelector::addOptions(true, false);
-
-# include <OpenFOAM/setRootCase.H>
-# include <OpenFOAM/createTime.H>
-
- instantList timeDirs = timeSelector::select0(runTime, args);
-
-# include <OpenFOAM/createMesh.H>
-
- // Initialize name mapping table
- FieldviewNames.insert("alpha", "aalpha");
- FieldviewNames.insert("Alpha", "AAlpha");
- FieldviewNames.insert("fsmach", "ffsmach");
- FieldviewNames.insert("FSMach", "FFSMach");
- FieldviewNames.insert("re", "rre");
- FieldviewNames.insert("Re", "RRe");
- FieldviewNames.insert("time", "ttime");
- FieldviewNames.insert("Time", "TTime");
- FieldviewNames.insert("pi", "ppi");
- FieldviewNames.insert("PI", "PPI");
- FieldviewNames.insert("x", "xx");
- FieldviewNames.insert("X", "XX");
- FieldviewNames.insert("y", "yy");
- FieldviewNames.insert("Y", "YY");
- FieldviewNames.insert("z", "zz");
- FieldviewNames.insert("Z", "ZZ");
- FieldviewNames.insert("rcyl", "rrcyl");
- FieldviewNames.insert("Rcyl", "RRcyl");
- FieldviewNames.insert("theta", "ttheta");
- FieldviewNames.insert("Theta", "TTheta");
- FieldviewNames.insert("rsphere", "rrsphere");
- FieldviewNames.insert("Rsphere", "RRsphere");
- FieldviewNames.insert("k", "kk");
- FieldviewNames.insert("Kcond", "KKcond");
-
-
- // Scan for all available fields, in all timesteps
- // volScalarNames : all scalar fields
- // volVectorNames : ,, vector ,,
- // surfScalarNames : surface fields
- // surfVectorNames : ,,
- // sprayScalarNames: spray fields
- // sprayVectorNames: ,,
-# include "getFieldNames.H"
-
- bool hasLagrangian = false;
- if (sprayScalarNames.size() || sprayVectorNames.size())
- {
- hasLagrangian = true;
- }
-
- Info<< "All fields: Foam/Fieldview" << endl;
- Info<< " volScalar :";
- printNames(volScalarNames, Info);
- Info<< endl;
- Info<< " volVector :";
- printNames(volVectorNames, Info);
- Info<< endl;
- Info<< " surfScalar :";
- printNames(surfScalarNames, Info);
- Info<< endl;
- Info<< " surfVector :";
- printNames(surfVectorNames, Info);
- Info<< endl;
- Info<< " sprayScalar :";
- printNames(sprayScalarNames, Info);
- Info<< endl;
- Info<< " sprayVector :";
- printNames(sprayVectorNames, Info);
- Info<< endl;
-
-
- //
- // Start writing
- //
-
- // make a directory called FieldView in the case
- fileName fvPath(runTime.path()/"Fieldview");
-
- if (isDir(fvPath))
- {
- rmDir(fvPath);
- }
-
- mkDir(fvPath);
-
- fileName fvParticleFileName(fvPath/runTime.caseName() + ".fvp");
- if (hasLagrangian)
- {
- Info<< "Opening particle file " << fvParticleFileName << endl;
- }
- std::ofstream fvParticleFile(fvParticleFileName.c_str());
-
- // Write spray file header
- if (hasLagrangian)
- {
-# include "writeSprayHeader.H"
- }
-
- // Current mesh. Start off from unloaded mesh.
- autoPtr<fieldviewTopology> topoPtr(NULL);
-
- label fieldViewTime = 0;
-
- forAll(timeDirs, timeI)
- {
- runTime.setTime(timeDirs[timeI], timeI);
- Info<< "Time: " << runTime.timeName() << endl;
-
- fvMesh::readUpdateState state = mesh.readUpdate();
-
- if
- (
- timeI == 0
- || state == fvMesh::TOPO_CHANGE
- || state == fvMesh::TOPO_PATCH_CHANGE
- )
- {
- // Mesh topo changed. Update Fieldview topo.
-
- topoPtr.reset
- (
- new fieldviewTopology
- (
- mesh,
- !args.optionFound("noWall")
- )
- );
-
- Info<< " Mesh read:" << endl
- << " tet : " << topoPtr().nTet() << endl
- << " hex : " << topoPtr().nHex() << endl
- << " prism : " << topoPtr().nPrism() << endl
- << " pyr : " << topoPtr().nPyr() << endl
- << " poly : " << topoPtr().nPoly() << endl
- << endl;
- }
- else if (state == fvMesh::POINTS_MOVED)
- {
- // points exists for time step, let's read them
- Info<< " Points file detected - updating points" << endl;
- }
-
- const fieldviewTopology& topo = topoPtr();
-
-
- //
- // Create file and write header
- //
-
- fileName fvFileName
- (
- fvPath/runTime.caseName() + "_" + Foam::name(timeI) + ".uns"
- );
-
- Info<< " file:" << fvFileName.c_str() << endl;
-
-
- std::ofstream fvFile(fvFileName.c_str());
-
- //Info<< "Writing header ..." << endl;
-
- // Output the magic number.
- writeInt(fvFile, FV_MAGIC);
-
- // Output file header and version number.
- writeStr80(fvFile, "FIELDVIEW");
-
- // This version of the FIELDVIEW unstructured file is "3.0".
- // This is written as two integers.
- writeInt(fvFile, 3);
- writeInt(fvFile, 0);
-
-
- // File type code. Grid and results.
- writeInt(fvFile, FV_COMBINED_FILE);
-
- // Reserved field, always zero
- writeInt(fvFile, 0);
-
- // Output constants for time, fsmach, alpha and re.
- float fBuf[4];
- fBuf[0] = runTime.value();
- fBuf[1] = 0.0;
- fBuf[2] = 0.0;
- fBuf[3] = 1.0;
- fvFile.write(reinterpret_cast<char*>(fBuf), 4*sizeof(float));
-
-
- // Output the number of grids
- writeInt(fvFile, 1);
-
-
- //
- // Boundary table
- //
- //Info<< "Writing boundary table ..." << endl;
-
- // num patches
- writeInt(fvFile, mesh.boundary().size());
-
- forAll (mesh.boundary(), patchI)
- {
- const fvPatch& currPatch = mesh.boundary()[patchI];
-
- writeInt(fvFile, 1); // data present
- writeInt(fvFile, 1); // normals ok
-
- // name
- writeStr80(fvFile, currPatch.name().c_str());
- }
-
-
- //
- // Create fields:
- // volFieldPtrs : List of ptrs to all volScalar/Vector fields
- // (null if field not present at current time)
- // volFieldNames : FieldView compatible names of volFields
- // surfFieldPtrs : same for surfaceScalar/Vector
- // surfFieldNames
-# include "createFields.H"
-
-
-
- //
- // Write Variables table
- //
-
- //Info<< "Writing variables table ..." << endl;
-
- writeInt(fvFile, volFieldNames.size());
- forAll(volFieldNames, fieldI)
- {
- if (volFieldPtrs[fieldI] == NULL)
- {
- Info<< " dummy field for "
- << volFieldNames[fieldI].c_str() << endl;
- }
-
- writeStr80(fvFile, volFieldNames[fieldI].c_str());
- }
-
- //
- // Write Boundary Variables table = vol + surface fields
- //
-
- //Info<< "Writing boundary variables table ..." << endl;
-
- writeInt
- (
- fvFile,
- volFieldNames.size() + surfFieldNames.size()
- );
- forAll(volFieldNames, fieldI)
- {
- writeStr80(fvFile, volFieldNames[fieldI].c_str());
- }
- forAll(surfFieldNames, fieldI)
- {
- if (surfFieldPtrs[fieldI] == NULL)
- {
- Info<< " dummy surface field for "
- << surfFieldNames[fieldI].c_str() << endl;
- }
-
- writeStr80(fvFile, surfFieldNames[fieldI].c_str());
- }
-
-
- // Output grid data.
-
- //
- // Nodes
- //
-
- //Info<< "Writing points ..." << endl;
-
- const pointField& points = mesh.points();
- label nPoints = points.size();
-
- writeInt(fvFile, FV_NODES);
- writeInt(fvFile, nPoints);
-
- for (direction cmpt=0; cmpt<vector::nComponents; cmpt++)
- {
- floatField fField(nPoints);
-
- for (label pointi = 0; pointi<nPoints; pointi++)
- {
- fField[pointi] = float(points[pointi][cmpt]);
- }
-
- fvFile.write
- (
- reinterpret_cast<char*>(fField.begin()),
- fField.size()*sizeof(float)
- );
- }
-
- //
- // Boundary Faces - regular
- //
-
- //Info<< "Writing regular boundary faces ..." << endl;
-
- forAll(mesh.boundary(), patchI)
- {
- label nQuadFaces = topo.quadFaceLabels()[patchI].size()/4;
-
- if (nQuadFaces != 0)
- {
- writeInt(fvFile, FV_FACES);
- writeInt(fvFile, patchI + 1); // patch number
- writeInt(fvFile, nQuadFaces); // number of faces in patch
- fvFile.write
- (
- reinterpret_cast<const char*>
- (topo.quadFaceLabels()[patchI].begin()),
- nQuadFaces*4*sizeof(int)
- );
- }
- }
-
- //
- // Boundary Faces - arbitrary polygon
- //
-
- //Info<< "Write polygonal boundary faces ..." << endl;
-
- forAll(mesh.boundary(), patchI)
- {
- if (topo.nPolyFaces()[patchI] > 0)
- {
- writeInt(fvFile, FV_ARB_POLY_FACES);
- writeInt(fvFile, patchI + 1);
-
- // number of arb faces in patch
- writeInt(fvFile, topo.nPolyFaces()[patchI]);
-
- const polyPatch& patchFaces = mesh.boundary()[patchI].patch();
-
- forAll(patchFaces, faceI)
- {
- const face& f = patchFaces[faceI];
-
- if (f.size() > 4)
- {
- writeInt(fvFile, f.size());
-
- forAll(f, fp)
- {
- writeInt(fvFile, f[fp] + 1);
- }
- }
- }
- }
- }
-
-
- //
- // Write regular topology
- //
-
- //Info<< "Writing regular elements ..." << endl;
-
- writeInt(fvFile, FV_ELEMENTS);
- writeInt(fvFile, topo.nTet());
- writeInt(fvFile, topo.nHex());
- writeInt(fvFile, topo.nPrism());
- writeInt(fvFile, topo.nPyr());
- fvFile.write
- (
- reinterpret_cast<const char*>(topo.tetLabels().begin()),
- topo.nTet()*(1+4)*sizeof(int)
- );
- fvFile.write
- (
- reinterpret_cast<const char*>(topo.hexLabels().begin()),
- topo.nHex()*(1+8)*sizeof(int)
- );
- fvFile.write
- (
- reinterpret_cast<const char*>(topo.prismLabels().begin()),
- topo.nPrism()*(1+6)*sizeof(int)
- );
- fvFile.write
- (
- reinterpret_cast<const char*>(topo.pyrLabels().begin()),
- topo.nPyr()*(1+5)*sizeof(int)
- );
-
-
- //
- // Write arbitrary polyhedra
- //
-
- //Info<< "Writing polyhedral elements ..." << endl;
-
-
- const cellShapeList& cellShapes = mesh.cellShapes();
- const cellModel& unknown = *(cellModeller::lookup("unknown"));
-
- if (topo.nPoly() > 0)
- {
- writeInt(fvFile, FV_ARB_POLY_ELEMENTS);
- writeInt(fvFile, topo.nPoly());
-
- forAll(cellShapes, celli)
- {
- if (cellShapes[celli].model() == unknown)
- {
- const cell& cll = mesh.cells()[celli];
-
- // number of faces
- writeInt(fvFile, cll.size());
- // number of vertices used (no cell centre)
- writeInt(fvFile, countVerts(mesh, celli));
- // cell centre node id
- writeInt(fvFile, -1);
-
- forAll(cll, cellFacei)
- {
- label faceI = cll[cellFacei];
-
- const face& f = mesh.faces()[faceI];
-
- // Not a wall for now
- writeInt(fvFile, NOT_A_WALL);
-
- writeInt(fvFile, f.size());
-
- if (mesh.faceOwner()[faceI] == celli)
- {
- forAll(f, fp)
- {
- writeInt(fvFile, f[fp]+1);
- }
- }
- else
- {
- for (label fp = f.size()-1; fp >= 0; fp--)
- {
- writeInt(fvFile, f[fp]+1);
- }
- }
-
- // Number of hanging nodes
- writeInt(fvFile, 0);
- }
- }
- }
- }
-
-
- //
- // Variables data
- //
-
- //Info<< "Writing variables data ..." << endl;
-
- volPointInterpolation pInterp(mesh);
-
- writeInt(fvFile, FV_VARIABLES);
-
-
- forAll(volFieldPtrs, fieldI)
- {
- if (volFieldPtrs[fieldI] != NULL)
- {
- const volScalarField& vField = *volFieldPtrs[fieldI];
-
- // Interpolate to points
- pointScalarField psf(pInterp.interpolate(vField));
-
- floatField fField(nPoints);
-
- for (label pointi = 0; pointi<nPoints; pointi++)
- {
- fField[pointi] = float(psf[pointi]);
- }
-
- fvFile.write
- (
- reinterpret_cast<char*>(fField.begin()),
- fField.size()*sizeof(float)
- );
- }
- else
- {
- // Create dummy field
- floatField dummyField(nPoints, 0.0);
-
- fvFile.write
- (
- reinterpret_cast<char*>(dummyField.begin()),
- dummyField.size()*sizeof(float)
- );
- }
- }
-
-
- //
- // Boundary variables data
- // 1. volFields
- // 2. surfFields
-
- //Info<< "Writing regular boundary elements data ..." << endl;
-
- writeInt(fvFile, FV_BNDRY_VARS);
-
- forAll(volFieldPtrs, fieldI)
- {
- if (volFieldPtrs[fieldI] != NULL)
- {
- const volScalarField& vsf = *volFieldPtrs[fieldI];
-
- forAll (mesh.boundary(), patchI)
- {
- writeFaceData
- (
- mesh,
- topo,
- patchI,
- vsf.boundaryField()[patchI],
- false,
- fvFile
- );
- }
- }
- else
- {
- forAll (mesh.boundaryMesh(), patchI)
- {
- // Dummy value.
- floatField fField
- (
- mesh.boundaryMesh()[patchI].size()
- - topo.nPolyFaces()[patchI],
- 0.0
- );
-
- fvFile.write
- (
- reinterpret_cast<char*>(fField.begin()),
- fField.size()*sizeof(float)
- );
- }
- }
- }
-
- // surfFields
- forAll(surfFieldPtrs, fieldI)
- {
- if (surfFieldPtrs[fieldI] != NULL)
- {
- const surfaceScalarField& ssf = *surfFieldPtrs[fieldI];
-
- forAll (mesh.boundary(), patchI)
- {
- writeFaceData
- (
- mesh,
- topo,
- patchI,
- ssf.boundaryField()[patchI],
- false,
- fvFile
- );
- }
- }
- else
- {
- forAll (mesh.boundaryMesh(), patchI)
- {
- // Dummy value.
- floatField fField
- (
- mesh.boundaryMesh()[patchI].size()
- - topo.nPolyFaces()[patchI],
- 0.0
- );
-
- fvFile.write
- (
- reinterpret_cast<char*>(fField.begin()),
- fField.size()*sizeof(float)
- );
- }
- }
- }
-
- //
- // Polygonal faces boundary data
- // 1. volFields
- // 2. surfFields
-
- //Info<< "Writing polygonal boundary elements data ..." << endl;
-
- writeInt(fvFile, FV_ARB_POLY_BNDRY_VARS);
- forAll(volFieldPtrs, fieldI)
- {
- if (volFieldPtrs[fieldI] != NULL)
- {
- const volScalarField& vsf = *volFieldPtrs[fieldI];
-
- // All non-empty patches
- forAll (mesh.boundary(), patchI)
- {
- writeFaceData
- (
- mesh,
- topo,
- patchI,
- vsf.boundaryField()[patchI],
- true,
- fvFile
- );
- }
- }
- else
- {
- forAll (mesh.boundary(), patchI)
- {
- // Dummy value.
- floatField fField(topo.nPolyFaces()[patchI], 0.0);
-
- fvFile.write
- (
- reinterpret_cast<char*>(fField.begin()),
- fField.size()*sizeof(float)
- );
- }
- }
- }
-
- // surfFields
- forAll(surfFieldPtrs, fieldI)
- {
- if (surfFieldPtrs[fieldI] != NULL)
- {
- const surfaceScalarField& ssf = *surfFieldPtrs[fieldI];
-
- // All non-empty patches
- forAll(mesh.boundary(), patchI)
- {
- writeFaceData
- (
- mesh,
- topo,
- patchI,
- ssf.boundaryField()[patchI],
- true,
- fvFile
- );
- }
- }
- else
- {
- forAll (mesh.boundaryMesh(), patchI)
- {
- // Dummy value.
- floatField fField
- (
- mesh.boundaryMesh()[patchI].size()
- - topo.nPolyFaces()[patchI],
- 0.0
- );
-
- fvFile.write
- (
- reinterpret_cast<char*>(fField.begin()),
- fField.size()*sizeof(float)
- );
- }
- }
- }
-
-
- //
- // Cleanup volume and surface fields
- //
- forAll(volFieldPtrs, fieldI)
- {
- delete volFieldPtrs[fieldI];
- }
- forAll(surfFieldPtrs, fieldI)
- {
- delete surfFieldPtrs[fieldI];
- }
-
-
-
-
- //
- // Spray
- //
- if (hasLagrangian)
- {
- // Read/create fields:
- // sprayScalarFieldPtrs: List of ptrs to lagrangian scalfields
- // sprayVectorFieldPtrs: ,, vec ,,
-# include "createSprayFields.H"
-
-
- // Write time header
-
- // Time index (FieldView: has to start from 1)
- writeInt(fvParticleFile, fieldViewTime + 1);
-
- // Time value
- writeFloat(fvParticleFile, runTime.value());
-
- // Read particles
- Cloud<passiveParticle> parcels(mesh);
-
- // Num particles
- writeInt(fvParticleFile, parcels.size());
-
- Info<< " Writing " << parcels.size() << " particles." << endl;
-
-
- //
- // Output data parcelwise
- //
-
- label parcelNo = 0;
-
-
- for
- (
- Cloud<passiveParticle>::iterator elmnt = parcels.begin();
- elmnt != parcels.end();
- ++elmnt, parcelNo++
- )
- {
- writeInt(fvParticleFile, parcelNo+1);
-
- writeFloat(fvParticleFile, elmnt().position().x());
- writeFloat(fvParticleFile, elmnt().position().y());
- writeFloat(fvParticleFile, elmnt().position().z());
-
- forAll(sprayScalarFieldPtrs, fieldI)
- {
- if (sprayScalarFieldPtrs[fieldI] != NULL)
- {
- const IOField<scalar>& sprayField =
- *sprayScalarFieldPtrs[fieldI];
- writeFloat
- (
- fvParticleFile,
- sprayField[parcelNo]
- );
- }
- else
- {
- writeFloat(fvParticleFile, 0.0);
- }
- }
- forAll(sprayVectorFieldPtrs, fieldI)
- {
- if (sprayVectorFieldPtrs[fieldI] != NULL)
- {
- const IOField<vector>& sprayVectorField =
- *sprayVectorFieldPtrs[fieldI];
- const vector& val =
- sprayVectorField[parcelNo];
-
- writeFloat(fvParticleFile, val.x());
- writeFloat(fvParticleFile, val.y());
- writeFloat(fvParticleFile, val.z());
- }
- else
- {
- writeFloat(fvParticleFile, 0.0);
- writeFloat(fvParticleFile, 0.0);
- writeFloat(fvParticleFile, 0.0);
- }
- }
- }
-
- // increment fieldView particle time
- fieldViewTime++;
-
-
- //
- // Cleanup spray fields
- //
- forAll(sprayScalarFieldPtrs, fieldI)
- {
- delete sprayScalarFieldPtrs[fieldI];
- }
- forAll(sprayVectorFieldPtrs, fieldI)
- {
- delete sprayVectorFieldPtrs[fieldI];
- }
-
- } // end of hasLagrangian
- }
-
- if (!hasLagrangian)
- {
- rm(fvParticleFileName);
- }
-
- Info << "End\n" << endl;
-
- return 0;
-}
-
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/dataConversion/foamToFieldview9/fv_reader_tags.h b/applications/utilities/postProcessing/dataConversion/foamToFieldview9/fv_reader_tags.h
deleted file mode 100644
index 17a6bfe..0000000
--- a/applications/utilities/postProcessing/dataConversion/foamToFieldview9/fv_reader_tags.h
+++ /dev/null
@@ -1,39 +0,0 @@
-#ifndef FV_READER_TAGS_H
-#define FV_READER_TAGS_H
-
-/* Numeric tags (codes) for FIELDVIEW binary file format. */
-
-#define FV_MAGIC 0x00010203 /* decimal 66051 */
-
-/* Content of the file (grid only, results only or combined). */
-#define FV_GRIDS_FILE 1
-#define FV_RESULTS_FILE 2
-#define FV_COMBINED_FILE 3
-
-#define FV_NODES 1001
-#define FV_FACES 1002
-#define FV_ELEMENTS 1003
-#define FV_VARIABLES 1004
-#define FV_BNDRY_VARS 1006
-#define FV_ARB_POLY_FACES 1007
-#define FV_ARB_POLY_ELEMENTS 1008
-#define FV_ARB_POLY_BNDRY_VARS 1009
-
-#define FV_TET_ELEM_ID 1
-#define FV_HEX_ELEM_ID 2
-#define FV_PRISM_ELEM_ID 3
-#define FV_PYRA_ELEM_ID 4
-#define FV_ARB_POLY_ELEM_ID 5
-
-/* Values for "wall_info" array (see comments in fv_encode_elem_header). */
-#ifdef __STDC__
-#define A_WALL (07u)
-#define NOT_A_WALL (0u)
-#else
-#define A_WALL (07)
-#define NOT_A_WALL (0)
-#endif
-
-#endif /* FV_READER_TAGS_H */
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/dataConversion/foamToFieldview9/getFieldNames.H b/applications/utilities/postProcessing/dataConversion/foamToFieldview9/getFieldNames.H
deleted file mode 100644
index 65a3179..0000000
--- a/applications/utilities/postProcessing/dataConversion/foamToFieldview9/getFieldNames.H
+++ /dev/null
@@ -1,70 +0,0 @@
-HashSet<word> volScalarHash;
-HashSet<word> volVectorHash;
-HashSet<word> surfScalarHash;
-HashSet<word> surfVectorHash;
-HashSet<word> sprayScalarHash;
-HashSet<word> sprayVectorHash;
-
-forAll(timeDirs, timeI)
-{
- runTime.setTime(timeDirs[timeI], timeI);
-
- // Add all fields to hashtable
- IOobjectList objects(mesh, runTime.timeName());
- {
- wordList fieldNames(objects.names(volScalarField::typeName));
- forAll(fieldNames, fieldI)
- {
- volScalarHash.insert(fieldNames[fieldI]);
- }
- }
- {
- wordList fieldNames(objects.names(volVectorField::typeName));
- forAll(fieldNames, fieldI)
- {
- volVectorHash.insert(fieldNames[fieldI]);
- }
- }
- {
- wordList fieldNames(objects.names(surfaceScalarField::typeName));
- forAll(fieldNames, fieldI)
- {
- surfScalarHash.insert(fieldNames[fieldI]);
- }
- }
- {
- wordList fieldNames(objects.names(surfaceVectorField::typeName));
- forAll(fieldNames, fieldI)
- {
- surfVectorHash.insert(fieldNames[fieldI]);
- }
- }
-
-
- // Same for spray
- IOobjectList sprayObjects(mesh, runTime.timeName(), cloud::prefix);
- {
- wordList fieldNames(sprayObjects.names(scalarIOField::typeName));
- forAll(fieldNames, fieldI)
- {
- sprayScalarHash.insert(fieldNames[fieldI]);
- }
- }
- {
- wordList fieldNames(sprayObjects.names(vectorIOField::typeName));
- forAll(fieldNames, fieldI)
- {
- sprayVectorHash.insert(fieldNames[fieldI]);
- }
- }
-}
-
-
-wordList volScalarNames(volScalarHash.toc());
-wordList volVectorNames(volVectorHash.toc());
-wordList surfScalarNames(surfScalarHash.toc());
-wordList surfVectorNames(surfVectorHash.toc());
-wordList sprayScalarNames(sprayScalarHash.toc());
-wordList sprayVectorNames(sprayVectorHash.toc());
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/dataConversion/foamToFieldview9/moveMesh.H b/applications/utilities/postProcessing/dataConversion/foamToFieldview9/moveMesh.H
deleted file mode 100644
index 68d0f6f..0000000
--- a/applications/utilities/postProcessing/dataConversion/foamToFieldview9/moveMesh.H
+++ /dev/null
@@ -1,34 +0,0 @@
-
-//
-// Check if new points (so moving mesh)
-//
-{
- IOobject pointsHeader
- (
- "points",
- runTime.timeName(),
- polyMesh::defaultRegion,
- runTime
- );
- if (pointsHeader.headerOk())
- {
- // points exists for time step, let's read them
- Info<< " Points file detected - updating points" << endl;
-
- // Reading new points
- pointIOField newPoints
- (
- IOobject
- (
- "points",
- runTime.timeName(),
- polyMesh::defaultRegion,
- mesh,
- IOobject::MUST_READ,
- IOobject::NO_WRITE
- )
- );
-
- mesh.polyMesh::movePoints(newPoints);
- }
-}
diff --git a/applications/utilities/postProcessing/dataConversion/foamToFieldview9/writeFunctions.C b/applications/utilities/postProcessing/dataConversion/foamToFieldview9/writeFunctions.C
deleted file mode 100644
index 650319c..0000000
--- a/applications/utilities/postProcessing/dataConversion/foamToFieldview9/writeFunctions.C
+++ /dev/null
@@ -1,99 +0,0 @@
-/*---------------------------------------------------------------------------*\
- ========= |
- \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
- \\ / O peration |
- \\ / A nd | Copyright (C) 1991-2010 OpenCFD Ltd.
- \\/ M anipulation |
--------------------------------------------------------------------------------
-License
- This file is part of OpenFOAM.
-
- OpenFOAM is free software: you can redistribute it and/or modify it
- under the terms of the GNU General Public License as published by
- the Free Software Foundation, either version 3 of the License, or
- (at your option) any later version.
-
- OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
- ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
- FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
- for more details.
-
- You should have received a copy of the GNU General Public License
- along with OpenFOAM. If not, see <http://www.gnu.org/licenses/>.
-
-Description
-
-\*---------------------------------------------------------------------------*/
-
-#include "writeFunctions.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-// C++ version of fwrite_str80 from FieldView/uns/write_binary_uns.c
-// Write padded string of 80 char.
-bool writeStr80(std::ostream& os, const string& str)
-{
- char cBuf[80];
-
- memset(cBuf, '\0', 80);
-
- int len = str.size();
-
- strncpy(cBuf, str.c_str(), (len < 80 ? len : 80));
-
- os.write(cBuf, 80*sizeof(char));
-
- return os.good();
-}
-
-
-// Write single integer
-bool writeInt(std::ostream& os, int val1)
-{
- os.write(reinterpret_cast<char*>(&val1), sizeof(int));
-
- return os.good();
-}
-
-
-// Write single float
-bool writeFloat(std::ostream& os, scalar val1)
-{
- float floatVal = val1;
-
- os.write(reinterpret_cast<char*>(&floatVal), sizeof(float));
-
- return os.good();
-}
-
-
-// Debug: write raw bytes
-void writeBytes(char* start, int nBytes)
-{
- cout.setf(std::ios::hex, std::ios::basefield);
-
- cout<< start << " : ";
-
- for(int i = 0; i < nBytes; i++)
- {
- cout<< " " << start[i];
- }
- cout << std::endl;
-
- cout.setf(std::ios::dec);
-}
-
-
-// Debug: write wall flags data
-void writeWallFlags(Ostream& os, label cellI, const labelList& wallFlags)
-{
- os << "cell " << cellI << " wallsFlags:";
- forAll(wallFlags, wallFaceI)
- {
- os << wallFlags[wallFaceI] << " ";
- }
- os << endl;
-}
-
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/dataConversion/foamToFieldview9/writeFunctions.H b/applications/utilities/postProcessing/dataConversion/foamToFieldview9/writeFunctions.H
deleted file mode 100644
index 120711f..0000000
--- a/applications/utilities/postProcessing/dataConversion/foamToFieldview9/writeFunctions.H
+++ /dev/null
@@ -1,56 +0,0 @@
-/*---------------------------------------------------------------------------*\
- ========= |
- \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
- \\ / O peration |
- \\ / A nd | Copyright (C) 1991-2010 OpenCFD Ltd.
- \\/ M anipulation |
--------------------------------------------------------------------------------
-License
- This file is part of OpenFOAM.
-
- OpenFOAM is free software: you can redistribute it and/or modify it
- under the terms of the GNU General Public License as published by
- the Free Software Foundation, either version 3 of the License, or
- (at your option) any later version.
-
- OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
- ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
- FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
- for more details.
-
- You should have received a copy of the GNU General Public License
- along with OpenFOAM. If not, see <http://www.gnu.org/licenses/>.
-
-InClass
- Foam::writeFunctions
-
-Description
-
-SourceFiles
- writeFunctions.C
-
-\*---------------------------------------------------------------------------*/
-
-#ifndef writeFunctions_H
-#define writeFunctions_H
-
-#include <OpenFOAM/scalar.H>
-#include <OpenFOAM/string.H>
-#include <OpenFOAM/labelList.H>
-#include <iostream>
-
-using namespace Foam;
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-bool writeStr80(std::ostream& os, const string& str);
-bool writeInt(std::ostream& os, int val1);
-bool writeFloat(std::ostream& os, scalar val1);
-void writeBytes(char* start, int nBytes);
-void writeWallFlags(Ostream& os, label cellI, const labelList& wallFlags);
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#endif
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/dataConversion/foamToFieldview9/writeSprayHeader.H b/applications/utilities/postProcessing/dataConversion/foamToFieldview9/writeSprayHeader.H
deleted file mode 100644
index 6bc0f96..0000000
--- a/applications/utilities/postProcessing/dataConversion/foamToFieldview9/writeSprayHeader.H
+++ /dev/null
@@ -1,28 +0,0 @@
-{
- /* Output the magic number. */
- writeInt(fvParticleFile, FV_MAGIC);
-
- /* Output file header and version number. */
- writeStr80(fvParticleFile, "FVPARTICLES");
-
- /* version */
- writeInt(fvParticleFile, 1);
- writeInt(fvParticleFile, 1);
-
- int nFields = sprayScalarNames.size() + 3*sprayVectorNames.size();
- writeInt(fvParticleFile, nFields);
-
- forAll(sprayScalarNames, nameI)
- {
- writeStr80(fvParticleFile, sprayScalarNames[nameI]);
- }
- forAll(sprayVectorNames, nameI)
- {
- const string& name(sprayVectorNames[nameI]);
- writeStr80(fvParticleFile, name + ("x;" + name));
- writeStr80(fvParticleFile, name + ("y;" + name));
- writeStr80(fvParticleFile, name + ("z;" + name));
- }
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/dataConversion/foamToFieldview9/write_binary_uns.c b/applications/utilities/postProcessing/dataConversion/foamToFieldview9/write_binary_uns.c
deleted file mode 100644
index 9385e1a..0000000
--- a/applications/utilities/postProcessing/dataConversion/foamToFieldview9/write_binary_uns.c
+++ /dev/null
@@ -1,643 +0,0 @@
-/*
-** Support functions for writing a combined (grid and results) file
-** in the binary FIELDVIEW unstructured format.
-*/
-
-/* Include system stuff for I/O and string and exit functions. */
-#include <stdio.h>
-#include <stdlib.h>
-#include <string.h>
-
-/* Include the defines for the FV_* codes and wall_info values. */
-#include "fv_reader_tags.h"
-
-
-/* Don't change these - used by fv_encode_elem_header ! */
-#define MAX_NUM_ELEM_FACES 6
-#define BITS_PER_WALL 3
-#define ELEM_TYPE_BIT_SHIFT (MAX_NUM_ELEM_FACES*BITS_PER_WALL)
-
-
-/*
-** fv_encode_elem_header: return an encoded binary element header
-**
-** Input:
-** elem_type: integer element type as shown in fv_reader_tags.h
-** wall_info: array of integer "wall" flags, one for each face of
-** the element. The wall flags are used during streamline
-** calculation. Currently, the only meaningful values are
-** A_WALL and NOT_A_WALL as shown in fv_reader_tags.h.
-** Streamlines are forced away from faces marked as
-** "A_WALL", by limiting velocity and position very near
-** the wall.
-** Output:
-** Function return value is the encoded binary element header.
-*/
-
-#ifdef __STDC__
-unsigned int fv_encode_elem_header (int elem_type, int wall_info[])
-#else
-unsigned int fv_encode_elem_header (elem_type, wall_info)
-int elem_type;
-int wall_info[];
-#endif
-{
- unsigned int header;
- int i, nfaces;
-
- switch (elem_type)
- {
- case FV_TET_ELEM_ID:
- header = (1 << ELEM_TYPE_BIT_SHIFT);
- nfaces = 4;
- break;
- case FV_HEX_ELEM_ID:
- header = (4 << ELEM_TYPE_BIT_SHIFT);
- nfaces = 6;
- break;
- case FV_PRISM_ELEM_ID:
- header = (3 << ELEM_TYPE_BIT_SHIFT);
- nfaces = 5;
- break;
- case FV_PYRA_ELEM_ID:
- header = (2 << ELEM_TYPE_BIT_SHIFT);
- nfaces = 5;
- break;
- default:
- fprintf(stderr, "ERROR: Unknown element type\n");
- return 0;
- }
-
- for (i = 0; i < nfaces; i++)
- {
- unsigned int u = wall_info[i];
- if (u > A_WALL)
- {
- fprintf(stderr, "ERROR: Bad wall value\n");
- return 0;
- }
- header |= (u << (i*BITS_PER_WALL));
- }
- return header;
-}
-
-/*
-** fwrite_str80: write out a string padded to 80 characters.
-**
-** Like fwrite, this returns the number of items written, which
-** should be 80 if successful, and less than 80 if it failed.
-*/
-#ifdef __STDC__
-size_t fwrite_str80 (char *str, FILE *fp)
-#else
-int fwrite_str80 (str, fp)
-char *str;
-FILE *fp;
-#endif
-{
- char cbuf[80];
- size_t len;
- int i;
-
- /* Most of this just to avoid garbage after the name. */
- len = strlen(str);
- strncpy(cbuf, str, len < 80 ? len : 80);
-
- for (i = len; i < 80; i++)
- cbuf[i] = '\0'; /* pad with zeros */
-
- return fwrite(cbuf, sizeof(char), 80, fp);
-}
-
-
-/*
-** Sample program which writes out a single unstructured grid containing
-** four hex elements, with pressure and velocity data at the nodes, and
-** surface data for temperature and velocity on some of the boundaries.
-**
-** The data is written as a combined (grid and results) file in the
-** binary FIELDVIEW unstructured format.
-**
-** For simplicity, no error checking is done on the calls to fwrite
-** and fwrite_str80.
-*/
-#if 0 /***** CHANGE THIS TO "#if 1" TO RUN THE SAMPLE PROGRAM. *****/
-int main()
-{
- char *file_name = "quad_hex.uns";
- FILE *outfp;
- int num_grids = 1;
- int num_face_types = 5;
- /*
- ** Note that one of the boundary type names is "wall."
- ** The boundary name "wall" has no special meaning in FIELDVIEW.
- ** Boundary types and element walls are independent pieces of
- ** information. The only way to mark an element face as a wall
- ** (for streamline calculation) is with the wall_info array passed
- ** to fv_encode_elem_header.
- */
- static char *face_type_names[5] = { "bottom", "top", "wall",
- "trimmed cell", "hanging node cell"};
- /*
- ** Each boundary type is flagged with 1 or 0 depending on
- ** whether surface results are present or absent (see below).
- */
- static int results_flag[5] = { 1, 1, 0, 1, 1 };
- /*
- ** Each boundary type is flagged with 1 or 0 depending on
- ** whether surface normals can be calculated from a "right
- ** hand rule" (see below).
- */
- static int normals_flag[5] = { 1, 1, 0, 1, 1 };
-
- /*
- ** Note that vector variables are specified by a ';' and vector name
- ** following the first scalar name of 3 scalar components of the
- ** vector. If writing 2-D results, the third component must still
- ** be provided here, and its values must be written in the variables
- ** section below (typically padded with zeros.)
- */
- int num_vars = 4;
- static char *var_names[4] = { "pressure", "uvel; velocity", "vvel", "wvel" };
- int num_bvars = 4;
- static char *bvar_names[4] = { "temperature", "uvel; velocity", "vvel", "wvel" };
-
- unsigned int elem_header;
- int grid, i;
- int ibuf[10];
-
- int nnodes = 31; /* Number of nodes in the grid. */
- const int num_faces_trim_cell = 7;
- const int num_faces_hang_cell = 6;
-
- /* Constants. */
- static float consts[4] = { 1., 0., 0., 0. };
-
- /* XYZ coordinates of the nodes. */
- static float x[31] = {-1., -1., 1., 1., -1., -1., 1., 1., -1., -1., 1.,1., 2., 2., 3., 3., 2.5, 3., 2., 3., 3., 2., 2.5,
- 3., 3., 3., 2.5, 2., 2., 2.0, 2.5};
-
- static float y[31] = {-1., -1., -1., -1., 1., 1., 1., 1., 3., 3., 3., 3.,
- 0., 0., 0., 0., 0., .5, 1., 1., 1., 1., .5,
- 2., 2., 1.5, 2., 2., 2., 1.45, 1.5};
-
- static float z[31] = {-1., 1., -1., 1., -1., 1., -1., 1., -1., 1., -1.,1., 1., 0., 0., .5, 1., 1., 1., 1., 0., 0., .5,
- 0., 1., 1., 1., 1., 0., 1., 1.};
-
- /* hex1 and hex2 are hex elements, defined as an array of node numbers. */
- static int hex1[8] = {1,2,3,4,5,6,7,8};
- static int hex2[8] = {5,6,7,8,9,10,11,12};
-
- /*
- ** Face definitions for boundary faces.
- ** All faces have 4 vertices. If the face is triangular,
- ** the last vertex should be zero.
- */
- static int bot_faces[4] = { 1,2,4,3 };
- static int top_faces[4] = { 9,10,12,11 };
- static int wall_faces[8][4] =
- { {1,2,6,5}, {5,6,10,9}, {3,4,8,7}, {7,8,12,11},
- {1,3,7,5}, {5,7,11,9}, {2,4,8,6}, {6,8,12,10} };
-
- /* Arbitrary Polyhedron faces: */
- static int trim_cell_face[num_faces_trim_cell][6] =
- { {5,13,14,15,16,17}, {3,16,18,17},
- {5,15,21,20,18,16}, {5,13,17,18,20,19},
- {4,13,19,22,14}, {4,14,22,21,15},
- {4,19,20,21,22} };
-
- static int hang_cell_face[num_faces_hang_cell][8] =
- { {5,20,21,24,25,26},
- {5,24,29,28,27,25},
- {7,20,26,25,27,28,30,19},
- {4,20,19,22,21},
- {4,21,22,29,24},
- {5,22,19,30,28,29} };
-
- /* Wall values for element faces. */
- static int hex1_walls[6] = { A_WALL, A_WALL, NOT_A_WALL,
- NOT_A_WALL, A_WALL, A_WALL };
- static int hex2_walls[6] = { A_WALL, A_WALL, NOT_A_WALL,
- NOT_A_WALL, A_WALL, A_WALL };
-
- /* 4 variables (pressure and velocity values) at the 31 grid nodes. */
- static float vars[4][31] =
- { {1.0,1.1,1.2,1.3,1.4,1.5,1.6,1.7,1.8,1.9,1.10,1.11,
- 1.0,1.1,1.2,1.3,1.4,1.5,1.6,1.7,1.8,1.9,1.10,1.11,
- 1.12,1.13,1.14,1.15,1.16,1.17,1.18},
- {0.1,0.2,0.3,0.4,0.5,0.6,0.7,0.8,0.9,1.0,1.1,1.2,
- 1.0,1.1,1.2,1.3,1.4,1.5,1.6,1.7,1.8,1.9,1.10,1.11,
- 1.12,1.13,1.14,1.15,1.16,1.17,1.18},
- {1.2,1.1,1.0,0.9,0.8,0.7,0.6,0.5,0.4,0.3,0.2,0.1,
- 1.0,1.1,1.2,1.3,1.4,1.5,1.6,1.7,1.8,1.9,1.10,1.11,
- 1.12,1.13,1.14,1.15,1.16,1.17,1.18},
- {0.1,0.2,0.3,0.4,0.5,0.6,0.7,0.8,0.9,1.0,1.1,1.2,
- 1.0,1.1,1.2,1.3,1.4,1.5,1.6,1.7,1.8,1.9,1.10,1.11,
- 1.12,1.13,1.14,1.15,1.16,1.17,1.18} };
-
- /*
- ** 4 boundary variables (temperature and velocity values) defined on
- ** the single top face, and the the single bottom face.
- */
- static float top_bvars[4] = { 1.0, 2.0,4.0,2.5 };
- static float bot_bvars[4] = { 1.0, 4.5,3.0,3.0 };
-
- /* Arbitrary Polyhedron boundary face variables: */
- static float trim_cell_bvars[4][num_faces_trim_cell] =
- { {1.0,1.1,1.2,1.3,1.4,1.5,1.6},
- {1.7,1.8,1.9,1.1,1.11,1.12,1.13},
- {1.14,1.15,1.16,1.17,1.18,1.19,1.2},
- {1.21,1.22,1.23,1.24,1.25,1.26,1.27} };
-
- static float hang_cell_bvars[4][num_faces_hang_cell] =
- { {1.1,1.11,1.12,1.13,1.14,1.15},
- {1.16,1.17,1.18,1.19,1.2,1.21},
- {1.22,1.23,1.24,1.25,1.26,1.27},
- {1.28,1.29,1.30,1.31,1.32,1.33} };
-
- /* Open the file for binary write access. */
- if ((outfp = fopen(file_name, "wb")) == NULL)
- {
- perror ("Cannot open output file");
- exit(1);
- }
-
- /* Output the magic number. */
- ibuf[0] = FV_MAGIC;
- fwrite(ibuf, sizeof(int), 1, outfp);
-
- /* Output file header and version number. */
- fwrite_str80("FIELDVIEW", outfp);
-
- /*
- ** This version of the FIELDVIEW unstructured file is "3.0".
- ** This is written as two integers.
- */
- ibuf[0] = 3;
- ibuf[1] = 0;
- fwrite(ibuf, sizeof(int), 2, outfp);
-
- /* File type code - new in version 2.7 */
- ibuf[0] = FV_COMBINED_FILE;
- fwrite(ibuf, sizeof(int), 1, outfp);
-
- /* Reserved field, always write a zero - new in version 2.6 */
- ibuf[0] = 0;
- fwrite(ibuf, sizeof(int), 1, outfp);
-
- /* Output constants for time, fsmach, alpha and re. */
- fwrite(consts, sizeof(float), 4, outfp);
-
- /* Output the number of grids. */
- ibuf[0] = num_grids;
- fwrite(ibuf, sizeof(int), 1, outfp);
-
- /*
- ** Output the table of boundary types.
- ** Each boundary type is preceded by 2 integer flags.
- ** The first flag is an "surface results flag".
- ** A value of 1 means surface results will be present for this
- ** boundary type (if any boundary variables are specified in the
- ** boundary variable names table below).
- ** A value of 0 means no surface results will be present.
- ** The second flag indicates whether boundary faces of this type have
- ** consistent "clockness" for the purpose of calculating a surface
- ** normal. A value of 1 means that all faces of this type are
- ** written following a "right hand rule" for clockness. In other
- ** words, if the vertices are written on counter-clockwise:
- ** 4 --- 3
- ** | |
- ** 1 --- 2
- ** then the normal to the face is pointing towards you (not away
- ** from you). A value of 0 means that the faces do not have any
- ** consistent clockness. The "clockness" of surface normals is
- ** only used for calculating certain special surface integrals
- ** that involve surface normals. If the surface normals flag
- ** is 0, these special integrals will not be available.
- */
- ibuf[0] = num_face_types;
- fwrite(ibuf, sizeof(int), 1, outfp);
- for (i = 0; i < num_face_types; i++) {
- ibuf[0] = results_flag[i];
- ibuf[1] = normals_flag[i];
- fwrite(ibuf, sizeof(int), 2, outfp);
- fwrite_str80(face_type_names[i], outfp);
- }
-
- /* Output the table of variable names. */
- /* The number of variables can be zero. */
- ibuf[0] = num_vars;
- fwrite(ibuf, sizeof(int), 1, outfp);
- for (i = 0; i < num_vars; i++)
- fwrite_str80(var_names[i], outfp);
-
- /*
- ** Output the table of boundary variable names.
- ** Boundary variables are associated with boundary faces, rather than
- ** with grid nodes.
- ** FIELDVIEW will automatically append "[BNDRY]" to each name
- ** so boundary variables can be easily distinguished from ordinary
- ** (grid node) variables.
- ** The number of boundary variables can be different from the number
- ** of ordinary variables. The number of boundary variables can be
- ** zero.
- */
- ibuf[0] = num_bvars;
- fwrite(ibuf, sizeof(int), 1, outfp);
- for (i = 0; i < num_bvars; i++)
- fwrite_str80(bvar_names[i], outfp);
-
- /* Output grid data. */
- for (grid = 0; grid < num_grids; grid++)
- {
- /* Output the node definition section for this grid. */
- ibuf[0] = FV_NODES;
- ibuf[1] = nnodes;
- fwrite(ibuf, sizeof(int), 2, outfp);
-
- /*
- ** Output the X, then Y, then Z node coordinates.
- ** Note that all of the X coordinates are output before any of
- ** the Y coordinates.
- */
- fwrite(x, sizeof(float), nnodes, outfp);
- fwrite(y, sizeof(float), nnodes, outfp);
- fwrite(z, sizeof(float), nnodes, outfp);
-
- /*
- ** Output boundary faces of the 3 different types.
- ** All faces have 4 vertices. If the face is triangular,
- ** the last vertex should be zero.
- ** TIP: A single boundary type can be broken into several sections
- ** if you prefer. Also, boundary face sections do not have to
- ** be in order. You may have a section of 10 faces of type 3,
- ** followed by a section of 20 faces of type 2, followed by a
- ** section of 15 more faces of type 3. Breaking a boundary
- ** type into very many short sections is less efficient. The
- ** boundaries will require more memory and be somewhat
- ** slower to calculate in FIELDVIEW.
- **
- */
- ibuf[0] = FV_FACES;
- ibuf[1] = 1; /* first boundary type */
- ibuf[2] = 1; /* number of faces of this type */
- fwrite(ibuf, sizeof(int), 3, outfp);
- fwrite(bot_faces, sizeof(int), 4, outfp);
-
- ibuf[0] = FV_FACES;
- ibuf[1] = 2; /* second boundary type */
- ibuf[2] = 1; /* number of faces of this type */
- fwrite(ibuf, sizeof(int), 3, outfp);
- fwrite(top_faces, sizeof(int), 4, outfp);
-
- ibuf[0] = FV_FACES;
- ibuf[1] = 3; /* third boundary type */
- ibuf[2] = 8; /* number of faces of this type */
- fwrite(ibuf, sizeof(int), 3, outfp);
- fwrite(wall_faces, sizeof(int), 8*4, outfp);
-
- /* Arbitrary Polygon boundary faces:
- ** The format (in psuedocode) is as follows:
- ** >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
- ** FV_ARB_POLY_FACES (section header)
- ** BndryFaceType NumBndryFaces
- **
- ** [for N = 1, NumBndryFaces]
- ** NumVertsFaceN Vert1 Vert2 ... Vert{NumVertsFaceN}
- **
- ** <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
- ** * The above block should be repeated for different boundary face
- ** types, as is the case for standard boundary faces.
- ** * These blocks should be after the blocks for standard faces,
- ** within the FIELDVIEW-Uns file.
- ** * The node ordering for specifying faces should follow a
- ** right-handed rule with the normal pointing away from the
- ** cell center. So nodes should be given by traversing the face
- ** in a counter-clockwise manner.
- ** * Hanging nodes are not permitted on boundary faces.
- */
-
- ibuf[0] = FV_ARB_POLY_FACES;
- ibuf[1] = 4; /* boundary face type */
- ibuf[2] = 7; /* num faces for the trimmed cell */
-
- fwrite(ibuf, sizeof(int), 3, outfp);
-
- for(i = 0; i < num_faces_trim_cell; ++i) /* loop over the faces */
- fwrite(trim_cell_face[i], sizeof(int), trim_cell_face[i][0] + 1,
- outfp);
-
- ibuf[0] = FV_ARB_POLY_FACES;
- ibuf[1] = 5; /* boundary face type */
- ibuf[2] = 6; /* num faces for the hanging node cell */
-
- fwrite(ibuf, sizeof(int), 3, outfp);
-
- for(i = 0; i < num_faces_hang_cell; ++i) /* loop over the faces */
- fwrite(hang_cell_face[i], sizeof(int), hang_cell_face[i][0] + 1,
- outfp);
-
- /*
- ** Start an elements section.
- ** There may be as many elements sections as needed.
- ** Each section may contain a single element type or a
- ** mixture of element types.
- ** For maximum efficiency, each section should contain
- ** a significant percentage of the elements in the grid.
- ** The most efficient case is a single section containing
- ** all elements in the grid.
- */
- ibuf[0] = FV_ELEMENTS;
- ibuf[1] = 0; /* tet count */
- ibuf[2] = 2; /* hex count */
- ibuf[3] = 0; /* prism count */
- ibuf[4] = 0; /* pyramid count */
- fwrite(ibuf, sizeof(int), 5, outfp);
-
- /* Write header for first element. */
- elem_header = fv_encode_elem_header(FV_HEX_ELEM_ID, hex1_walls);
- if (elem_header == 0)
- {
- fprintf (stderr, "fv_encode_elem_header failed for first hex.\n");
- exit(1);
- }
- fwrite (&elem_header, sizeof(elem_header), 1, outfp);
-
- /* Write node definition for first element. */
- fwrite(hex1, sizeof(int), 8, outfp);
-
- /* Write header for second element. */
- elem_header = fv_encode_elem_header(FV_HEX_ELEM_ID, hex2_walls);
- if (elem_header == 0)
- {
- fprintf (stderr, "fv_encode_elem_header failed for second hex.\n");
- exit(1);
- }
- fwrite (&elem_header, sizeof(elem_header), 1, outfp);
-
- /* Write node definition for second element. */
- fwrite(hex2, sizeof(int), 8, outfp);
-
- /* Arbitrary Polyhedron elements:
- ** The format (in psuedocode) is as follows:
- ** >>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
- ** FV_ARB_POLY_ELEMENTS (section header)
- ** NumArbPolyElements
- **
- ** [for elem = 1, NumArbPolyElements]
- ** {
- ** NumFaces NumNodesElement CenterNode
- **
- ** [for face = 1, NumFaces]
- ** WallFlag NumNodesFace FaceNode1 ... FaceNode{NumNodesFace}
- ** NumHangNodes HangNode1 ... HangNode{NumHangNodes}
- ** }
- ** <<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<<
- ** * These blocks can be after or before the standard element blocks.
- ** There can be any number of these for any one grid.
- ** * The WallFlag has the same meaning as for standard elements,
- ** i.e., A_WALL or NOT_A_WALL.
- ** * The node ordering for specifying faces should follow a
- ** right-handed rule with the normal pointing away from the
- ** cell center. So nodes should be given by traversing the face
- ** in a counter-clockwise manner.
- ** * Hanging nodes are associated with a face interior and should
- ** not be on an edge. Hanging nodes on an edge should be
- ** interpretted as a regular face node.
- */
- ibuf[0] = FV_ARB_POLY_ELEMENTS;
- ibuf[1] = 2; /* have 2 elements here */
-
- fwrite(ibuf, sizeof(int), 2, outfp);
-
- /* trimmed face element */
- ibuf[0] = 7; /* num faces for the trimmed cell */
- ibuf[1] = 11; /* number of nodes including a center node */
- ibuf[2] = 23; /* the center node */
- fwrite(ibuf, sizeof(int), 3, outfp);
-
- ibuf[0] = A_WALL; /* wall value */
- ibuf[1] = 0; /* number of hanging nodes */
-
- for(i = 0; i < num_faces_trim_cell; ++i) /* write out face info */
- {
- fwrite(ibuf, sizeof(int), 1, outfp); /* write wall value */
- fwrite(trim_cell_face[i], sizeof(int), trim_cell_face[i][0] + 1,
- outfp); /* write num verts and verts */
- fwrite(&ibuf[1], sizeof(int), 1, outfp); /* write num hang nodes */
- }
-
- /* hanging node element */
- ibuf[0] = 6; /* num faces for the hanging node cell */
- ibuf[1] = 12; /* number of nodes excluding a center node */
- ibuf[2] = -1; /* the center node, this indicates that FIELDVIEW
- ** should calculate the center node and associated
- ** centernode variable values
- */
- fwrite(ibuf, sizeof(int), 3, outfp);
-
- ibuf[0] = A_WALL; /* wall value */
- ibuf[1] = 0; /* number of hanging nodes */
- ibuf[2] = 1; /* number of hanging nodes for face 3 */
- ibuf[3] = 31; /* the node number for the hanging node on face 3*/
-
- for(i = 0; i < 2; ++i) /* write out face info for first 2 faces */
- {
- fwrite(ibuf, sizeof(int), 1, outfp); /* write wall value */
- fwrite(hang_cell_face[i], sizeof(int), hang_cell_face[i][0] + 1,
- outfp); /* write num verts and verts */
- fwrite(&ibuf[1], sizeof(int), 1, outfp); /* write num hang nodes */
- }
-
- /* this face has a hanging node */
- fwrite(ibuf, sizeof(int), 1, outfp);
- fwrite(hang_cell_face[2], sizeof(int), hang_cell_face[2][0] + 1, outfp);
- fwrite(&ibuf[2], sizeof(int), 2, outfp);
-
- /* write out face info for last 3 faces */
- for(i = 3; i < num_faces_hang_cell; ++i)
- {
- fwrite(ibuf, sizeof(int), 1, outfp); /* write wall value */
- fwrite(hang_cell_face[i], sizeof(int), hang_cell_face[i][0] + 1,
- outfp); /* write num verts and verts */
- fwrite(&ibuf[1], sizeof(int), 1, outfp); /* write num hang nodes */
- }
-
- /*
- ** Output the variables data.
- ** You must write the section header even if the number
- ** of variables is zero.
- */
- ibuf[0] = FV_VARIABLES;
- fwrite(ibuf, sizeof(int), 1, outfp);
-
- /*
- ** Note that all of the data for the first variable is output
- ** before any of the data for the second variable.
- */
- for (i = 0; i < num_vars; i++)
- fwrite(vars[i], sizeof(float), nnodes, outfp);
-
- /*
- ** Output the boundary variables data.
- ** Remember that the Boundary Table above has a "surface results
- ** flag" indicating which boundary types have surface results.
- ** The data should be written in the same order as the faces in
- ** the Boundary Faces section, skipping over faces whose boundary
- ** type has a surface results flag of zero (false).
- ** For each variable, you should write one number per boundary face.
- ** You must write the section header even if the number of boundary
- ** variables is zero.
- */
- ibuf[0] = FV_BNDRY_VARS;
- fwrite(ibuf, sizeof(int), 1, outfp);
-
- /*
- ** Note that all of the data for the first variable is output
- ** before any of the data for the second variable.
- */
- for (i = 0; i < num_bvars; i++) {
- int num_faces;
- /*
- ** The data for the bottom face is written first for each
- ** variable, because the bottom face was written first in the
- ** "Boundary Faces" section.
- ** The "wall" faces are skipped, because the surface results
- ** flag for the wall boundary type was 0 (false) in the
- ** Boundary Table section.
- */
- num_faces = 1; /* number of bottom faces */
- fwrite(&bot_bvars[i], sizeof(float), num_faces, outfp);
- num_faces = 1; /* number of top faces */
- fwrite(&top_bvars[i], sizeof(float), num_faces, outfp);
- }
-
- /* Arbitrary Polyhedron boundary face results:
- ** The format is the same as for standard boundary face results.
- */
- ibuf[0] = FV_ARB_POLY_BNDRY_VARS;
- fwrite(ibuf, sizeof(int), 1, outfp);
-
- for (i = 0; i < num_bvars; ++i)
- {
- int num_faces;
-
- num_faces = 7; /* num faces for the trimmed cell */
- fwrite(trim_cell_bvars[i], sizeof(float), num_faces, outfp);
-
- num_faces = 6; /* num faces for the hanging node cell */
- fwrite(hang_cell_bvars[i], sizeof(float), num_faces, outfp);
- }
- }
-
- if (fclose(outfp) != 0)
- {
- perror ("Cannot close output file");
- exit(1);
- }
-
- return 0;
-}
-#endif /* end commenting out the sample program */
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/CMakeLists.txt b/applications/utilities/postProcessing/graphics/ensightFoamReader/CMakeLists.txt
deleted file mode 100644
index adfc76e..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/CMakeLists.txt
+++ /dev/null
@@ -1,47 +0,0 @@
-#-------------------------------------------------------------------------------
-# ______ _ ____ __ __
-# | ____| _| |_ / __ \ /\ | \/ |
-# | |__ _ __ ___ ___ / \| | | | / \ | \ / |
-# | __| '__/ _ \/ _ ( (| |) ) | | |/ /\ \ | |\/| |
-# | | | | | __/ __/\_ _/| |__| / ____ \| | | |
-# |_| |_| \___|\___| |_| \____/_/ \_\_| |_|
-#
-# FreeFOAM: The Cross-Platform CFD Toolkit
-#
-# Copyright (C) 2008-2012 Michael Wild <themiwi at users.sf.net>
-# Gerber van der Graaf <gerber_graaf at users.sf.net>
-#-------------------------------------------------------------------------------
-# License
-# This file is part of FreeFOAM.
-#
-# FreeFOAM is free software: you can redistribute it and/or modify it
-# under the terms of the GNU General Public License as published by the
-# Free Software Foundation, either version 3 of the License, or (at your
-# option) any later version.
-#
-# FreeFOAM is distributed in the hope that it will be useful, but WITHOUT
-# ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-# FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
-# for more details.
-#
-# You should have received a copy of the GNU General Public License
-# along with FreeFOAM. If not, see <http://www.gnu.org/licenses/>.
-#-------------------------------------------------------------------------------
-
-set(CMAKE_LIBRARY_OUTPUT_DIRECTORY ${FOAM_LIBRARY_OUTPUT_DIRECTORY}/plugins/ensightReader)
-
-foam_add_library(userd MODULE SKIP_EXPORT)
-
-foam_target_link_libraries(userd
- OpenFOAM
- finiteVolume
- lagrangian
- genericPatchFields
- )
-
-foam_install_targets(userd
- RUNTIME DESTINATION "${FOAM_INSTALL_USERDFOAM_PATH}" COMPONENT plugins
- LIBRARY DESTINATION "${FOAM_INSTALL_USERDFOAM_PATH}" COMPONENT plugins
- )
-
-# ------------------------- vim: set sw=2 sts=2 et: --------------- end-of-file
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/README b/applications/utilities/postProcessing/graphics/ensightFoamReader/README
deleted file mode 100644
index 24ed777..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/README
+++ /dev/null
@@ -1,1847 +0,0 @@
---------------------------------------
-EnSight User Defined Reader Capability
---------------------------------------
-
-A user defined reader capability is included in EnSight which allows otherwise
-unsupported structured or unstructured data to be read. The user defined
-reader utilizes a dynamic shared library composed of routines defined in this
-document, but produced by the user (or some third party). This capability is
-currently available for dec, ibm, hp, sgi, and sun servers.
-
-****************************************************************************
-Note: Several user defined readers have been included with your EnSight
- release and can be accessed by changing the ENSIGHT6_READER
- environment variable as outlined in step 3. below. Please be aware
- that these are "unsupported" readers, but many of them are being used
- successfully.
-****************************************************************************
-
-
-The process for producing a user defined reader is:
---------------------------------------------------
-1. Write code for all pertinent routines in the library (Unless someone else
- has done this for you).
-
- This is of course where the work is done by the user. The word
- "pertinent" is used because depending on the nature of the data, some
- of the routines in the library may be dummy routines.
-
- The source code for a dummy library and for various other working or
- sample libraries is copied from the installation CD during
- installation. These will be located in directories under:
-
- $ENSIGHT6_HOME/ensight62/user_defined_src/readers
-
- examples:
- --------
- The default library. Basic dummy routines.
- $ENSIGHT6_HOME/ensight62/user_defined_src/readers/dummy
-
- Sample library which reads unstructured binary EnSight6 data.
- $ENSIGHT6_HOME/ensight62/user_defined_src/readers/ensight6
-
- Sample library which reads binary static plot3d data.
- $ENSIGHT6_HOME/ensight62/user_defined_src/readers/plot3d
-
- Reads binary LS-DYNA3D state database.
- $ENSIGHT6_HOME/ensight62/user_defined_src/readers/ls-dyna3d
-
- Reads FORTRAN binary Unstrutured dytran data base.
- $ENSIGHT6_HOME/ensight62/user_defined_src/readers/dytran
-
- Reads FlowScience "flsgrf" flow3d data.
- $ENSIGHT6_HOME/ensight62/user_defined_src/readers/flow3d
-
- Reads Tecplot "plt" files.
- $ENSIGHT6_HOME/ensight62/user_defined_src/readers/tecplot
-
- Reads Common File Format data.
- $ENSIGHT6_HOME/ensight62/user_defined_src/readers/cff
-
- Reads Cobalt grid and picture/restart file data.
- $ENSIGHT6_HOME/ensight62/user_defined_src/readers/cobalt
-
- You may find it useful to place your library source in this area as
- well, but are not limited to this location.
-
- * ===> The descriptions of each library routine and the order that the
- routines are called, which is provided in this file, along with
- the example libraries, should make it possible for you to produce
- code for your own data reader.
-
-
-2. Produce the dynamic shared library.
-
- This is a compiling and loading process which varies according to
- the type of machine you are on. Thus, a separate makefile is provided
- for each machine type. Operating system level differences could cause
- you to have to modify these makefiles slightly, but the general
- process is very straightforward. Note that for the SGI environment you
- must compile with the following flags to ensure compatability with
- the EnSight server: Irix_5.3 -mips1
- Irix_6.2 -mips2
- Irix_6.5_n32 -mips3
- Irix_6.5_n64 -mips4 -64
-
- __________________________________________________________________
- | MACHINE | MAKEFILE TO USE | SHARED LIBRARY NAME PRODUCED |
- | TYPE |--------------------------------------------------------|
- | | LD COMMAND USED IN MAKEFILE |
- ==================================================================
- __________________________________________________________________
- | sgi | makefile.sgi | libuserd.so |
- | |--------------------------------------------------------|
- | | ld -shared -all -o libuserd.so libuserd.o |
- ------------------------------------------------------------------
- __________________________________________________________________
- | hp | makefile.hp | libuserd.sl |
- | |--------------------------------------------------------|
- | | ld -b -o libuserd.sl libuserd.o |
- ------------------------------------------------------------------
- __________________________________________________________________
- | sun | makefile.sun | libuserd.so |
- | |--------------------------------------------------------|
- | | ld -G -o libuserd.so libuserd.o |
- ------------------------------------------------------------------
- __________________________________________________________________
- | dec | makefile.dec | libuserd.so |
- | |--------------------------------------------------------|
- | | ld -shared -all -o libuserd.so libuserd.o -lc |
- ------------------------------------------------------------------
- __________________________________________________________________
- | ibm | makefile.ibm | libuserd.so |
- | |--------------------------------------------------------|
- | | ld -G -o libuserd.so libuserd.o -bnoentry -bexpall -lc |
- ------------------------------------------------------------------
-
- Once you have created your library, you should place it in a directory
- of your choice under:
-
- $ENSIGHT6_HOME/machines/$ENSIGHT6_ARCH/lib_readers
-
- Thus, if you created a reader for "mydata", you should create the
- following directory, and place your libuserd.so into it:
-
- $ENSIGHT6_HOME/machines/$ENSIGHT6_ARCH/lib_readers/mydata
-
-
-3. Set up the ENSIGHT6_READER environment variable so EnSight will know
- which reader directory to use at runtime.
-
- Ensight will look for the library under:
-
- $ENSIGHT6_HOME/machines/$ENSIGHT6_ARCH/lib_readers/$ENSIGHT6_READER
-
- When EnSight was installed, you set this variable to "dummy", with:
-
- setenv ENSIGHT6_READER dummy
-
- You can use any of the other provided readers by changing this variable.
- For example, to use the dytran reader:
-
- setenv ENSIGHT6_READER dytran
-
- Thus, you can use your reader in the same way. If you provided "mydata",
- change ENSIGHT6_READER to:
-
- setenv ENSIGHT6_READER mydata
-
-
- For your information, EnSight makes sure that the appropriate library
- environment variable is set for your machine architecture. You do not
- have to deal with this if you locate your library as outlined above.
- The library environment variables used are:
-
- Machine type Environment variable to set
- ------------ ---------------------------
- sgi LD_LIBRARY_PATH
- dec LD_LIBRARY_PATH
- sun LD_LIBRARY_PATH
- hp SHLIB_PATH
- ibm LIBPATH
-
-IMPORTANT: Unless the shared library is available in the
- .../$ENSIGHT6_READER directory, EnSight will not run.
-
-As always, EnSight support is available if you need it.
-
-
-
--------------------------------
-Quick Index of Library Routines
--------------------------------
-
-Generally Needed for UNSTRUCTURED data
---------------------------------------
-USERD_get_number_of_global_nodes number of global nodes
-USERD_get_global_coords global node coordinates
-USERD_get_global_node_ids global node ids
-USERD_get_element_connectivities_for_part part's element connectivites
-USERD_get_element_ids_for_part part's element ids
-USERD_get_scalar_values global scalar variables
-USERD_get_vector_values global vector variables
-
-
-Generally Needed for BLOCK data
------------------------------------------
-USERD_get_block_coords_by_component block coordinates
-USERD_get_block_iblanking block iblanking values
-USERD_get_block_scalar_values block scalar variables
-USERD_get_block_vector_values_by_component block vector variables
-
-
-Generally needed for either or both kinds of data
--------------------------------------------------
-USERD_set_filenames filenames entered in GUI
-USERD_set_time_step current time step
-
-USERD_get_name_of_reader name of reader for GUI
-USERD_get_number_of_files_in_dataset number of files in model
-USERD_get_dataset_query_file_info info about each model file
-USERD_get_changing_geometry_status changing geometry?
-USERD_get_node_label_status node labels?
-USERD_get_element_label_status element labels?
-USERD_get_number_of_time_steps number of time steps
-USERD_get_solution_times solution time values
-USERD_get_description_lines file associated descrip lines
-USERD_get_number_of_variables number of variables
-USERD_get_variable_info variable type/descrip etc.
-USERD_get_constant_value constant variable's value
-USERD_get_number_of_model_parts number of model parts
-USERD_get_part_build_info part type/descrip etc.
-USERD_get_variable_value_at_specific node's or element's variable
- value over time
-
-USERD_stop_part_building cleanup routine
-USERD_bkup archive routine
-
-
-
--------------------------
-Order Routines are called
--------------------------
-
-The various main operations are given basically in the order they will
-be performed. Within each operation, the order the routines will be
-called is given.
-
-1. Setting name in the gui, and specifying one or two input fields
-
- USERD_get_name_of_reader
-
-2. Setting filenames and getting time info
- USERD_set_filenames
- USERD_get_number_of_time_steps
- USERD_get_solution_times
- USERD_set_time_step
-
-3. Gathering info for part builder
-
- USERD_set_time_step
- USERD_get_changing_geometry_status
- USERD_get_node_label_status
- USERD_get_element_label_status
- USERD_get_number_of_files_in_dataset
- USERD_get_dataset_query_file_info
- USERD_get_description_lines (for geometry)
- USERD_get_number_of_model_parts
- USERD_get_part_build_info
- USERD_get_number_global_nodes
- USERD_get_global_coords (for model extents)
- USERD_get_block_coords_by_component (for model extents)
-
-4. Gathering Variable info
-
- USERD_get_number_of_variables
- USERD_get_variable_info
-
-5. Part building (per part created)
-
- USERD_set_time_step
- USERD_get_global_coords
- USERD_get_global_node_ids
- USERD_get_element_connectivities_for_part
- USERD_get_element_ids_for_part
- USERD_get_block_iblanking
- USERD_get_block_coords_by_component
-
- USERD_stop_part_building (only once when part builder
- dialog is closed)
-
-6. Loading Variables
-
- constants:
- ---------
- USERD_set_time_step
- USERD_get_constant_value
-
- scalars:
- -------
- USERD_get_description_lines
- USERD_set_time_step
- USERD_get_scalar_values
- USERD_get_block_scalar_values
-
- vectors:
- -------
- USERD_get_description_lines
- USERD_set_time_step
- USERD_get_vector_values
- USERD_get_block_vector_values_by_component
-
-7. Changing geometry
-
- changing coords only:
- --------------------
- USERD_set_time_step
- USERD_get_global_coords
- USERD_get_block_coords_by_component
-
- changing connectivity:
- ---------------------
- USERD_set_time_step
- USERD_get_number_of_model_parts
- USERD_get_part_build_info
- USERD_get_number_global_nodes
- USERD_get_global_coords
- USERD_get_global_node_ids
- USERD_get_element_connectivities_for_part
- USERD_get_element_ids_for_part
- USERD_get_block_iblanking
- USERD_get_block_coords_by_component
-
-
-
------------------------
-Detailed Specifications
------------------------
-
-Include files:
---------------
-The following header file is required in any file containing these library
-routines.
-
- #include "global_extern.h"
-
-
-Basis of arrays:
----------------
-Unless explicitly stated otherwise, all arrays are zero based - in true C
-fashion.
-
-
-Global variables:
-----------------
-You will generally need to have a few global variables which are shared by
-the various library routines. The detailed specifications below have assumed
-the following are available. (Their names describe their purpose, and they
-will be used in helping describe the details of the routines below).
-
-static int Numparts_available = 0;
-static int Num_unstructured_parts = 0;
-static int Num_structured_blocks = 0;
-
-/* Note: Numparts_available = Num_unstructured_parts + Num_structured_blocks */
-
-static int Num_time_steps = 1;
-static int Num_global_nodes = 0;
-static int Num_variables = 0;
-static int Num_dataset_files = 0;
-static int Current_time_step = 0;
-
-
-
-
-
-_________________________________________
------------------------------------------
-Library Routines (in alphabetical order):
-_________________________________________
------------------------------------------
-
---------------------------------------------------------------------
-USERD_bkup
-
- Description:
- -----------
- This routine is called during the EnSight archive process. You can
- use it to save or restore info relating to your user defined reader.
-
- Specification:
- -------------
- int USERD_bkup(FILE *archive_file,
- int backup_type)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) archive_file = The archive file pointer
-
- (IN) backup_type = Z_SAVE_ARCHIVE for saving archive
- Z_REST_ARCHIVE for restoring archive
-
- Notes:
- -----
- * Since EnSight's archive file is saved in binary form, you should
- also do any writing to it or reading from it in binary.
-
- * You should archive any variables, which will be needed for
- future operations, that will not be read or computed again
- before they will be needed. These are typically global
- variables.
-
- * Make sure that the number of bytes that you write on a save and
- the number of bytes that you read on a restore are identical!!
-
- * If any of the variables you save are allocated arrays, you must
- do the allocations before restoring into them.
-
-
-
---------------------------------------------------------------------
-USERD_get_block_coords_by_component
-
- Description:
- -----------
- Get the coordinates of a given structured block, a component at a time.
-
- Specification:
- -------------
- int USERD_get_block_coords_by_component(int block_number,
- int which_component,
- float *coord_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) block_number = The block part number
-
- (IN) which_component = Z_COMPX if x component wanted
- = Z_COMPY if y component wanted
- = Z_COMPZ if z component wanted
-
- (OUT) coord_array = 1D array containing x,y, or z
- coordinate component of each node
-
- (Array will have been allocated
- i*j*k for the block long)
-
- Notes:
- -----
- * Not called unless Num_structured_blocks is > 0
-
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_block_iblanking
-
- Description:
- -----------
- Get the iblanking value at each node of a block (if the block is
- iblanked).
-
- Specification:
- -------------
- int USERD_get_block_iblanking(int block_number,
- int *iblank_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) block_number = The block part number
- (OUT) iblank_array = 1D array containing iblank value
- for each node.
-
- (Array will have been allocated
- i*j*k for the block long)
-
- possible values are: Z_EXT = exterior
- Z_INT = interior
- Z_BND = boundary
- Z_INTBND = internal boundary
- Z_SYM = symmetry plane
-
- Notes:
- -----
- * Not called unless Num_structured_blocks is > 0 and you have
- some iblanked blocks
-
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_block_scalar_values
-
- Description:
- -----------
- if Z_PER_NODE:
- Get the values at each node of a block, for a given scalar variable
-
- or if Z_PER_ELEM:
- Get the values at each element of a block, for a given scalar variable
-
- Specification:
- -------------
- int USERD_get_block_scalar_values(int block_number,
- int which_scalar,
- float *scalar_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) block_number = The block part number
- (IN) which_scalar = The variable number
- (OUT) scalar_array = 1D array containing scalar values
- for each node or element.
-
- Array will have been allocated:
-
- if Z_PER_NODE:
- i*j*k for the block long
-
- if Z_PER_ELEM:
- (i-1)*(i-1)*(k-1) for the block long
-
- Notes:
- -----
- * Not called unless Num_structured_blocks is > 0,
- Num_variables is > 0, and there are some scalar type variables
-
- * The per_node or per_elem classification must be obtainable from the
- variable number (a var_classify array needs to be retained)
-
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_block_vector_values_by_component
-
- Description:
- -----------
- if Z_PER_NODE:
- Get the values at each node of a block, for a given vector
- variable, one component at a time.
-
- or if Z_PER_ELEM:
- Get the values at each element of a block, for a given vector
- variable, one component at a time.
-
-
- Specification:
- -------------
- int USERD_get_block_vector_values_by_component(int block_number,
- int which_vector,
- int which_component,
- float *vector_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) block_number = The block part number
-
- (IN) which_vector = The variable number
-
- (IN) which_component = Z_COMPX if x component wanted
- = Z_COMPY if y component wanted
- = Z_COMPZ if z component wanted
-
- (OUT) vector_array = 1D array containing vector
- component value for each node or element.
-
- Array will have been allocated:
-
- if Z_PER_NODE:
- i*j*k for the block long
-
- if Z_PER_ELEM:
- (i-1)*(i-1)*(k-1) for the block long
-
- Notes:
- -----
- * Not called unless Num_structured_blocks is > 0,
- Num_variables is > 0, and there are some vector type variables
-
- * The per_node or per_elem classification must be obtainable from the
- variable number (a var_classify array needs to be retained)
-
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_changing_geometry_status
-
- Description:
- -----------
- Gets the changing geometry status for the model
-
- Specification:
- -------------
- int USERD_get_changing_geometry_status( void )
-
- Returns:
- -------
- Z_STATIC if geometry does not change
- Z_CHANGE_COORDS if changing coordinates only
- Z_CHANGE_CONN if changing connectivity
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * EnSight does not support changing number of parts. But the
- coords and/or the connectivity of the parts can change.
-
-
-
---------------------------------------------------------------------
-USERD_get_constant_value
-
- Description:
- -----------
- Get the value of a constant at a time step
-
- Specification:
- -------------
- float USERD_get_constant_value(int which_var)
-
- Returns:
- -------
- Value of the requested constant variable
-
- Arguments:
- ---------
- (IN) which_var = The variable number
-
- Notes:
- -----
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_dataset_query_file_info
-
- Description:
- -----------
- Get the information about files in the dataset. Used for the
- dataset query option within EnSight.
-
- Specification:
- -------------
- int USERD_get_dataset_query_file_info(Z_QFILES *qfiles)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) qfiles = Structure containing information about each file
- of the dataset. The Z_QFILES structure is defined
- in the global_extern.h file
-
- (The structure will have been allocated
- Num_dataset_files long, with 10 description
- lines per file).
-
- qfiles[].name = The name of the file
- (Z_MAXFILENP is the dimensioned length
- of the name)
-
- qfiles[].sizeb = The number of bytes in the file
- (Typically obtained with a call to the
- "stat" system routine)
-
- qfiles[].timemod = The time the file was last modified
- (Z_MAXTIMLEN is the dimensioned length
- of this string)
- (Typically obtained with a call to the
- "stat" system routine)
-
- qfiles[].num_d_lines = The number of description lines you
- are providing from the file. Max = 10
-
- qfiles[].f_desc[] = The description line(s) per file,
- qfiles[].num_d_lines of them
- (Z_BUFLEN is the allocated length of
- each line)
-
- Notes:
- -----
- * If Num_dataset_files is 0, this routine will not be called.
-
-
-
---------------------------------------------------------------------
-USERD_get_description_lines
-
- Description:
- -----------
- Get two description lines associated with geometry per time step,
- or one description line associated with a variable per time step.
-
- Specification:
- -------------
- int USERD_get_description_lines(int which_type,
- int which_var,
- char line1[Z_BUFL],
- char line2[Z_BUFL])
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) which_type = Z_GEOM for geometry (2 lines)
- = Z_VARI for variable (1 line)
-
- (IN) which_var = If it is a variable, which one.
- Ignored if geometry type.
-
- (OUT) line1 = The 1st geometry description line,
- or the variable description line.
-
- (OUT) line2 = The 2nd geometry description line
- Not used if variable type.
-
- Notes:
- -----
- * Will be based on Current_time_step
-
- * These are the lines EnSight can echo to the screen in
- annotation mode.
-
-
-
---------------------------------------------------------------------
-USERD_get_element_connectivities_for_part
-
- Description:
- -----------
- Gets the connectivities for the elements of an unstructured part
-
- Specification:
- -------------
- int USERD_get_element_connectivities_for_part(int part_number,
- int **conn_array[Z_MAXTYPE])
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) part_number = The part number
-
- (OUT) conn_array = 3D array containing connectivity
- of each element of each type.
-
- (Array will have been allocated
- Z_MAXTYPE by num_of_elements of
- each type by connectivity length
- of each type)
-
- ex) If num_of_elements[Z_TRI03] = 25
- num_of_elements[Z_QUA04] = 100
- num_of_elements[Z_HEX08] = 30
- as obtained in:
- USERD_get_part_build_info
-
- Then the allocated dimensions available
- for this routine will be:
- conn_array[Z_TRI03][25][3]
- conn_array[Z_QUA04][100][4]
- conn_array[Z_HEX08][30][8]
-
- Notes:
- -----
- * Not called unless Num_unstructured_parts is > 0
-
- * Will be based on Current_time_step
-
- * The coord_array loaded in USERD_get_global_coords is zero-based,
- but within EnSight it will become a one-based array.
- Thus, coord_array[0] will be accessed by node 1 from the conn_array,
- coord_array[1] will be accessed by node 2 from the conn_array, etc.
-
- ex) Given a model of two triangles, you should load coord_array in
- USERD_get_global_coords as follows:
-
- node coordinates
- ---- -----------
- 4 --------- 3 1 coord_array[0].xyz[0] = 0.0
- |\ | coord_array[0].xyz[1] = 0.0
- | \ T2 | coord_array[0].xyz[2] = 0.0
- | \ |
- | \ | 2 coord_array[1].xyz[0] = 1.0
- | \ | coord_array[1].xyz[1] = 0.0
- | \ | coord_array[1].xyz[2] = 0.0
- | \ |
- | T1 \ | 3 coord_array[2].xyz[0] = 1.0
- | \| coord_array[2].xyz[1] = 1.6
- 1 --------- 2 coord_array[2].xyz[2] = 0.0
-
- 4 coord_array[3].xyz[0] = 0.0
- coord_array[3].xyz[1] = 1.6
- coord_array[3].xyz[2] = 0.0
-
-
- And conn_array here as follows:
-
- Triangle Connectivity
- -------- ------------
- T1 conn_array[Z_TRI03][0][0] = 1
- conn_array[Z_TRI03][0][1] = 2
- conn_array[Z_TRI03][0][2] = 4
-
- T2 conn_array[Z_TRI03][1][0] = 2
- conn_array[Z_TRI03][1][1] = 3
- conn_array[Z_TRI03][1][2] = 4
-
-
-
---------------------------------------------------------------------
-USERD_get_element_ids_for_part
-
- Description:
- -----------
- Gets the ids for the elements of an unstructured part.
-
- Specification:
- -------------
- int USERD_get_element_ids_for_part(int part_number,
- int *elemid_array[Z_MAXTYPE])
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) part_number = The part number
-
- (OUT) elemid_array = 2D array containing id of each
- element of each type.
-
- (Array will have been allocated
- Z_MAXTYPE by num_of_elements of
- each type)
-
- ex) If num_of_elements[Z_TRI03] = 25
- num_of_elements[Z_QUA04] = 100
- num_of_elements[Z_HEX08] = 30
- as obtained in:
- USERD_get_part_build_info
-
- Then the allocated dimensions available
- for this routine will be:
- conn_array[Z_TRI03][25]
- conn_array[Z_QUA04][100]
- conn_array[Z_HEX08][30]
-
- Notes:
- -----
- * Not called unless Num_unstructured_parts is > 0 and element
- label status is TRUE
-
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_element_label_status
-
- Description:
- -----------
- Answers the question as to whether element labels will be provided.
-
- Specification:
- -------------
- int USERD_get_element_label_status( void )
-
- Returns:
- -------
- TRUE if element labels will be provided
- FALSE if element labels will NOT be provided
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * element lables are needed in order to do any element querying, or
- element labeling on-screen within EnSight.
-
- For unstructured parts, you can read them from your file if
- available, or can assign them, etc. They need to be unique
- per part, and are often unique per model.
-
- USERD_get_element_ids_for_part is used to obtain the ids,
- on a part by part basis, if TRUE status is returned here.
-
- For structured parts, EnSight will assign ids if you return a
- status of TRUE here. You cannot assign them youself!!
-
-
-
---------------------------------------------------------------------
-USERD_get_global_coords
-
- Description:
- -----------
- Gets the coordinates for the global nodes.
-
- Specification:
- -------------
- int USERD_get_global_coords(CRD *coord_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) coord_array = 1D array of CRD structures,
- which contains x,y,z coordinates
- of each node.
-
- (Array will have been allocated
- Num_global_nodes long)
-
- For reference, CRD structure (which is in global_extern) is:
-
- typedef struct {
- float xyz[3];
- }CRD;
-
- Notes:
- -----
- * Not called unless Num_unstructured_parts is > 0
-
- * Will be based on Current_time_step
-
- * The coord_array is zero-based, but within EnSight it will become
- a one-based array.
- Thus, coord_array[0] will be accessed by node 1 from the conn_array,
- coord_array[1] will be accessed by node 2 from the conn_array, etc.
-
- ex) Given a model of two triangles, you should load coord_array as
- follows:
-
- node coordinates
- ---- -----------
- 4 --------- 3 1 coord_array[0].xyz[0] = 0.0
- |\ | coord_array[0].xyz[1] = 0.0
- | \ T2 | coord_array[0].xyz[2] = 0.0
- | \ |
- | \ | 2 coord_array[1].xyz[0] = 1.0
- | \ | coord_array[1].xyz[1] = 0.0
- | \ | coord_array[1].xyz[2] = 0.0
- | \ |
- | T1 \ | 3 coord_array[2].xyz[0] = 1.0
- | \| coord_array[2].xyz[1] = 1.6
- 1 --------- 2 coord_array[2].xyz[2] = 0.0
-
- 4 coord_array[3].xyz[0] = 0.0
- coord_array[3].xyz[1] = 1.6
- coord_array[3].xyz[2] = 0.0
-
-
- And conn_array in USERD_get_element_connectivities_for_part
- as follows:
-
- Triangle Connectivity
- -------- ------------
- T1 conn_array[Z_TRI03][0][0] = 1
- conn_array[Z_TRI03][0][1] = 2
- conn_array[Z_TRI03][0][2] = 4
-
- T2 conn_array[Z_TRI03][1][0] = 2
- conn_array[Z_TRI03][1][1] = 3
- conn_array[Z_TRI03][1][2] = 4
-
---------------------------------------------------------------------
-USERD_get_global_node_ids
-
- Description:
- -----------
- Gets the node ids assigned to each of the global nodes.
-
- Specification:
- -------------
- int USERD_get_global_node_ids(int *nodeid_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) nodeid_array = 1D array containing node ids of
- each node. The ids must be > 0
-
- (Array will have been allocated
- Num_global_nodes long)
- Notes:
- -----
- * Not called unless Num_unstructured_parts is > 0 and node label
- status is TRUE
-
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_name_of_reader
-
- Description:
- -----------
- Gets the name of your user defined reader. The user interface will
- ask for this and include it in the available reader list.
-
- Specification:
- -------------
- int USERD_get_name_of_reader(char reader_name[Z_MAX_USERD_NAME],
- int *two_fields)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) reader_name = the name of the your reader or data format.
- (max length is Z_MAX_USERD_NAME, which is 20)
-
- (OUT) *two_fields = FALSE if only one data field required
- in the data dialog of EnSight.
- TRUE if two data fields required.
-
- Notes:
- -----
- * Always called. Provide a name for your custom reader format.
-
- * If you don't want a custom reader to show up in the data dialog
- choices, return a name of "No_Custom"
-
-
-
---------------------------------------------------------------------
-USERD_get_node_label_status
-
- Description:
- -----------
- Answers the question as to whether node labels will be provided.
-
- Specification:
- -------------
- int USERD_get_node_label_status( void )
-
- Returns:
- -------
- TRUE if node labels will be provided
- FALSE if node labels will NOT be provided
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * Node ids are needed in order to do any node querying, or node
- labeling on-screen within EnSight.
-
- For unstructured parts, you can read them from your file if
- available, or can assign them, etc. They need to be unique
- per part, and are often unique per model. The must also be
- positive numbers greater than zero.
-
- USERD_get_global_node_ids is used to obtain the ids, if the
- status returned here is TRUE.
-
- Also be aware that if you say node labels are available,
- the connectivity of elements must be according to these
- node ids.
-
- For structured parts, EnSight will assign ids if you return a
- status of TRUE here. You cannot assign them yourself!!
-
-
-
---------------------------------------------------------------------
-USERD_get_number_of_files_in_dataset
-
- Description:
- -----------
- Get the total number of files in the dataset. Used for the
- dataset query option within EnSight.
-
- Specification:
- -------------
- int USERD_get_number_of_files_in_dataset( void )
-
- Returns:
- -------
- The total number of files in the dataset.
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * You can be as complete as you want about this. If you don't
- care about the dataset query option, return a value of 0
- If you only want certain files, you can just include them. But,
- you will need to supply the info in USERD_get_dataset_query_file_info
- for each file you include here.
-
- * Num_dataset_files would be set here
-
-
-
---------------------------------------------------------------------
-USERD_get_number_of_global_nodes
-
- Description:
- -----------
- Gets the number of global nodes, used for unstructured parts.
-
- Specification:
- -------------
- int USERD_get_number_of_global_nodes()
-
- Returns:
- -------
- Number of global nodes (>=0 if okay, <0 if problems)
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * Not called unless Num_unstructured_parts is > 0
-
- * Will be based on Current_time_step
-
- * For unstructured data:
- EnSight wants 1. A global array of nodes
- 2. Element connectivities by part, which
- reference the node numbers of the global
- node array.
- IMPORTANT:
- ---------
- If you provide node ids, then element connectivities
- must be in terms of the node ids. If you do not
- provide node ids, then element connectivities must be
- in terms of the index into the node array, but shifted
- to start at 1
-
- * Num_global_nodes would be set here
-
-
-
---------------------------------------------------------------------
-USERD_get_number_of_model_parts
-
- Description:
- -----------
- Gets the total number of unstructured and structured parts
- in the model, for which you can supply information.
-
- Specification:
- -------------
- int USERD_get_number_of_model_parts( void )
-
- Returns:
- -------
- Number of parts (>0 if okay, <=0 if probs).
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * If going to have to read down through the parts in order to
- know how many, you may want to build a table of pointers to
- the various parts, so you can easily get to particular parts in
- later processes. If you can simply read the number of parts
- at the head of the file, then you would probably not build the
- table at this time.
-
- * This routine would set Numparts_available, which is equal to
- Num_unstructured_parts + Num_structured_blocks.
-
-
-
---------------------------------------------------------------------
-USERD_get_number_of_time_steps
-
- Description:
- -----------
- Gets the number of time steps of data available.
-
- Specification:
- -------------
- int USERD_get_number_of_time_steps( void )
-
- Returns:
- -------
- Number of time steps (>0 if okay, <=0 if problems).
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * This should be >= 1 1 indicates a static model
- >1 indicates a transient model
-
- * Num_time_steps would be set here
-
-
-
---------------------------------------------------------------------
-USERD_get_number_of_variables
-
- Description:
- -----------
- Get the number of variables for which you will be providing info.
-
- Specification:
- -------------
- int USERD_get_number_of_variables( void )
-
- Returns:
- -------
- Number of variables (includes constant, scalar, and vector types)
- (>=0 if okay, <0 if problem)
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- *****************************************************************
- * Variable numbers, by which references will be made, are implied
- here. If you say there are 3 variables, the variable numbers
- will be 1, 2, and 3.
- *****************************************************************
-
- * Num_variables would be set here
-
-
-
---------------------------------------------------------------------
-USERD_get_part_build_info
-
- Description:
- -----------
- Gets the info needed for the part building process.
-
- Specification:
- -------------
- int USERD_get_part_build_info(int *part_numbers,
- int *part_types,
- char *part_description[Z_BUFL],
- int *number_of_elements[Z_MAXTYPE],
- int *ijk_dimensions[3],
- int *iblanking_options[6])
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) part_numbers = Array containing part numbers for
- each of the model parts.
-
- IMPORTANT:
- Parts numbers must be >= 1
-
- ********************************************
- The numbers provided here are the ones by
- which the parts will be referred to in any
- of the other routines which receive a part
- number or block number as an argument!!
- ********************************************
-
- (Array will have been allocated
- Numparts_available long)
-
- (OUT) part_types = Array containing one of the
- following for each model part:
-
- Z_UNSTRUCTURED or
- Z_STRUCTURED or
- Z_IBLANKED
-
- (Array will have been allocated
- Numparts_available long)
-
- (OUT) part_description = Array containing a description
- for each of the model parts
-
- (Array will have been allocated
- Numparts_available by Z_BUFL
- long)
-
- (OUT) number_of_elements = 2D array containing number of
- each type of element for each
- unstructured model part.
- ------------
- Possible types are:
-
- Z_POINT = point
- Z_BAR02 = 2-noded bar
- Z_BAR03 = 3-noded bar
- Z_TRI03 = 3-noded triangle
- Z_TRI06 = 6-noded triangle
- Z_QUA04 = 4-noded quadrilateral
- Z_QUA08 = 8-noded quadrilateral
- Z_TET04 = 4-noded tetrahedron
- Z_TET10 = 10-noded tetrahedron
- Z_PYR05 = 5-noded pyramid
- Z_PYR13 = 13-noded pyramid
- Z_PEN06 = 6-noded pentahedron
- Z_PEN15 = 15-noded pentahedron
- Z_HEX08 = 8-noded hexahedron
- Z_HEX20 = 20-noded hexahedron
-
- (Ignored unless Z_UNSTRUCTURED type)
-
- (Array will have been allocated
- Numparts_available by
- Z_MAXTYPE long)
-
- (OUT) ijk_dimensions = 2D array containing ijk dimensions
- for each structured model part.
- ----------
- (Ignored if Z_UNSTRUCTURED type)
-
- (Array will have been allocated
- Numparts_available by 3 long)
-
- ijk_dimensions[][0] = I dimension
- ijk_dimensions[][1] = J dimension
- ijk_dimensions[][2] = K dimension
-
- (OUT) iblanking_options = 2D array containing iblanking
- options possible for each
- structured model part.
- ----------
- (Ignored unless Z_IBLANKED type)
-
- (Array will have been allocated
- Numparts_available by 6 long)
-
- iblanking_options[][Z_EXT] = TRUE if external (outside)
- [][Z_INT] = TRUE if internal (inside)
- [][Z_BND] = TRUE if boundary
- [][Z_INTBND] = TRUE if internal boundary
- [][Z_SYM] = TRUE if symmetry surface
-
-
- Notes:
- -----
- * If you haven't built a table of pointers to the different parts,
- you might want to do so here as you gather the needed info.
-
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_scalar_values
-
- Description:
- -----------
- if Z_PER_NODE:
- Get the values at each global node for a given scalar variable.
-
- or if Z_PER_ELEM:
- Get the values at each element of a specific part and type for a
- given scalar variable.
-
- Specification:
- -------------
- int USERD_get_scalar_values(int which_scalar,
- int which_part,
- int which_type,
- float *scalar_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) which_scalar = The variable number (of scalar type)
-
- (IN) which_part
-
- if Z_PER_NODE: Not used
-
- if Z_PER_ELEM: = The part number
-
- (IN) which_type
-
- if Z_PER_NODE: Not used
-
- if Z_PER_ELEM: = The element type
-
- (OUT) scalar_array
-
- if Z_PER_NODE: = 1D array containing scalar values
- for each node.
-
- (Array will have been allocated
- Num_global_nodes long)
-
- if Z_PER_ELEM: = 1d array containing scalar values for
- each element of a particular part and type.
-
- (Array will have been allocated
- number_of_elements[which_part][which_type]
- long. See USERD_get_part_build_info)
-
- Notes:
- -----
- * Not called unless Num_unstructured_parts is > 0,
- Num_variables is > 0, and you have some scalar type variables.
-
- * The per_node or per_elem classification must be obtainable from the
- variable number (a var_classify array needs to be retained)
-
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_solution_times
-
- Description:
- -----------
- Get the solution times associated with each time step.
-
- Specification:
- -------------
- int USERD_get_solution_times(float *solution_times)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) solution_times = 1D array of solution times/time step
-
- (Array will have been allocated
- Num_time_steps long)
-
- Notes:
- -----
- * The solution times must be non-negative and increasing.
-
-
-
---------------------------------------------------------------------
-USERD_get_variable_info
-
- Description:
- -----------
- Get the variable descriptions, types and filenames
-
- Specification:
- -------------
- int USERD_get_variable_info(char **var_description,
- char **var_filename,
- int *var_type,
- int *var_classify)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) var_description = Variable descriptions
-
- (Array will have been allocated
- Num_variables by Z_BUFL long)
-
- (OUT) var_filename = Variable filenames
-
- (Array will have been allocated
- Num_variables by Z_BUFL long)
-
- (OUT) var_type = Variable type
-
- (Array will have been allocated
- Num_variables long)
-
- types are: Z_CONSTANT
- Z_SCALAR
- Z_VECTOR
-
- (OUT) var_classify = Variable classification
-
- (Array will have been allocated
- Num_variables long)
-
- types are: Z_PER_NODE
- Z_PER_ELEM
-
- Notes:
- -----
- * The implied variable numbers apply, but be aware that the
- arrays are zero based.
- So for variable 1, will need to provide var_description[0]
- var_filename[0]
- var_type[0]
- var_classify[0]
-
- for variable 2, will need to provide var_description[1]
- var_filename[1]
- var_type[1]
- var_classify[1]
- etc.
-
-
-
---------------------------------------------------------------------
-USERD_get_variable_value_at_specific
-
- Description:
- -----------
- if Z_PER_NODE:
- Get the value of a particular variable at a particular node in a
- particular part at a particular time.
-
- or if Z_PER_ELEM:
- Get the value of a particular variable at a particular element of
- a particular type in a particular part at a particular time.
-
-
- Specification:
- -------------
- int USERD_get_variable_value_at_specific(int which_var,
- int which_node_or_elem,
- int which_part,
- int which_elem_type,
- int time_step,
- float values[3])
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) which_var = The variable number
-
- (IN) which_node_or_elem
-
- If Z_PER_NODE:
- = The node number. This is not the id, but is
- the index of the global node
- list (1 based), or the block's
- node list (1 based).
-
- Thus, coord_array[1]
- coord_array[2]
- coord_array[3]
- . |
- . |which_node_or_elem index
- . ----
-
-
- If Z_PER_ELEM:
- = The element number. This is not the id, but is
- the element number index
- of the number_of_element array
- (see USERD_get_part_build_info),
- or the block's element list
- zzzzz (1 based).
-
- Thus, for which_part:
- conn_array[which_elem_type][0]
- conn_array[which_elem_type][1]
- conn_array[which_elem_type][2]
- . |
- . which_node_or_elem index
- . ----
-
-
- (IN) which_part
-
- If Z_PER_NODE, or block part:
- = Not used
-
- If Z_PER_ELEM:
- = The part number
-
- (IN) which_elem_type
-
- If Z_PER_NODE, or block part:
- = Not used
-
- If Z_PER_ELEM:
- = The element type. This is the element type index
- of the number_of_element array
- (see USERD_get_part_build_info)
-
- (IN) time_step = The time step
-
- (OUT) values = scalar or vector component value(s)
- values[0] = scalar or vector[0]
- values[1] = vector[1]
- values[2] = vector[2]
-
-
- Notes:
- -----
- * This routine is used in node querys over time (or element querys over
- time for Z_PER_ELEM variables). If these operations are not critical
- to you, this can be a dummy routine.
-
- * The per_node or per_elem classification must be obtainable from the
- variable number (a var_classify array needs to be retained)
-
-
---------------------------------------------------------------------
-USERD_get_vector_values
-
- Description:
- -----------
- if Z_PER_NODE:
- Get the values at each global node for a given vector variable.
-
- or if Z_PER_ELEM:
- Get the values at each element of a specific part and type for a
- given vector variable.
-
- Specification:
- -------------
- int USERD_get_vector_values(int which_vector,
- int which_part,
- int which_type,
- float *vector_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) which_vector = The variable number
-
- (IN) which_part
-
- if Z_PER_NODE: Not used
-
- if Z_PER_ELEM: = The part number
-
- (IN) which_type
-
- if Z_PER_NODE: Not used
-
- if Z_PER_ELEM: = The element type
-
- (OUT) vector_array
-
- if Z_PER_NODE: = 1D array containing vector values
- for each node.
-
- (Array will have been allocated
- 3 by Num_global_nodes long)
-
- Info stored in this fashion:
- vector_array[0] = xcomp of node 1
- vector_array[1] = ycomp of node 1
- vector_array[2] = zcomp of node 1
-
- vector_array[3] = xcomp of node 2
- vector_array[4] = ycomp of node 2
- vector_array[5] = zcomp of node 2
-
- vector_array[6] = xcomp of node 3
- vector_array[7] = ycomp of node 3
- vector_array[8] = zcomp of node 3
- etc.
-
- if Z_PER_ELEM: = 1d array containing vector values for
- each element of a particular part and type.
-
- (Array will have been allocated
- 3 by number_of_elements[which_part][which_type]
- long. See USERD_get_part_build_info)
-
- Info stored in this fashion:
- vector_array[0] = xcomp of elem 1 (of part and type)
- vector_array[1] = ycomp of elem 1 "
- vector_array[2] = zcomp of elem 1 "
-
- vector_array[3] = xcomp of elem 2 "
- vector_array[4] = ycomp of elem 2 "
- vector_array[5] = zcomp of elem 2 "
-
- vector_array[6] = xcomp of elem 3 "
- vector_array[7] = ycomp of elem 3 "
- vector_array[8] = zcomp of elem 3 "
- etc.
-
- Notes:
- -----
- * Not called unless Num_unstructured_parts is > 0,
- Num_variables is > 0, and you have some vector type variables
-
- * The per_node or per_elem classification must be obtainable from the
- variable number (a var_classify array needs to be retained)
-
- * Will be based on Current_time_step
-
-
---------------------------------------------------------------------
-USERD_set_filenames
-
- Description:
- -----------
- Receives the geometry and result filenames entered in the data
- dialog. The user written code will have to store and use these
- as needed.
-
- Specification:
- -------------
- int USERD_set_filenames(char filename_1[],
- char filename_2[],
- char the_path[],
- int swapbytes)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) filename_1 = the filename entered into the geometry
- field of the data dialog.
- (IN) filename_2 = the filename entered into the result
- field of the data dialog.
- (If the two_fields flag in USERD_get_name_of_reader
- is FALSE, this will be null string)
- (IN) the_path = the path info from the data dialog.
- Note: filename_1 and filename_2 have already
- had the path prepended to them. This
- is provided in case it is needed for
- filenames contained in one of the files
- (IN) swapbytes = TRUE if should swap bytes when reading data.
-
- Notes:
- -----
- * Since you must manage everything from the input that is entered in
- these data dialog fields, this is an important routine!
-
- * It may be that you will need to have an executive type file that contains
- info and other filenames within it, like EnSight6's case file.
-
-
-
---------------------------------------------------------------------
-USERD_set_time_step
-
- Description:
- -----------
- Set the current time step. All functions that need time, and
- that do not explicitly pass it in, will use the time step set by
- this routine.
-
- Specification:
- -------------
- void USERD_set_time_step(int time_step)
-
- Returns:
- -------
- nothing
-
- Arguments:
- ---------
- (IN) time_step - The current time step to set
-
- Notes:
- -----
- * Current_time_step would be set here
-
-
-
---------------------------------------------------------------------
-USERD_stop_part_building
-
- Description:
- -----------
- This routine called when the part building dialog is closed. It is
- provided in case you desire to release memory, etc. that was only needed
- during the part building process.
-
- Specification:
- -------------
- void USERD_stop_part_building( void )
-
- Returns:
- -------
- nothing
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/README7 b/applications/utilities/postProcessing/graphics/ensightFoamReader/README7
deleted file mode 100644
index 197c3c5..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/README7
+++ /dev/null
@@ -1,1847 +0,0 @@
---------------------------------------
-EnSight User Defined Reader Capability
---------------------------------------
-
-A user defined reader capability is included in EnSight which allows otherwise
-unsupported structured or unstructured data to be read. The user defined
-reader utilizes a dynamic shared library composed of routines defined in this
-document, but produced by the user (or some third party). This capability is
-currently available for dec, ibm, hp, sgi, and sun servers.
-
-****************************************************************************
-Note: Several user defined readers have been included with your EnSight
- release and can be accessed by changing the ENSIGHT6_READER
- environment variable as outlined in step 3. below. Please be aware
- that these are "unsupported" readers, but many of them are being used
- successfully.
-****************************************************************************
-
-
-The process for producing a user defined reader is:
---------------------------------------------------
-1. Write code for all pertinent routines in the library (Unless someone else
- has done this for you).
-
- This is of course where the work is done by the user. The word
- "pertinent" is used because depending on the nature of the data, some
- of the routines in the library may be dummy routines.
-
- The source code for a dummy library and for various other working or
- sample libraries is copied from the installation CD during
- installation. These will be located in directories under:
-
- $ENSIGHT6_HOME/ensight62/user_defined_src/readers
-
- examples:
- --------
- The default library. Basic dummy routines.
- $ENSIGHT6_HOME/ensight62/user_defined_src/readers/dummy
-
- Sample library which reads unstructured binary EnSight6 data.
- $ENSIGHT6_HOME/ensight62/user_defined_src/readers/ensight6
-
- Sample library which reads binary static plot3d data.
- $ENSIGHT6_HOME/ensight62/user_defined_src/readers/plot3d
-
- Reads binary LS-DYNA3D state database.
- $ENSIGHT6_HOME/ensight62/user_defined_src/readers/ls-dyna3d
-
- Reads FORTRAN binary Unstrutured dytran data base.
- $ENSIGHT6_HOME/ensight62/user_defined_src/readers/dytran
-
- Reads FlowScience "flsgrf" flow3d data.
- $ENSIGHT6_HOME/ensight62/user_defined_src/readers/flow3d
-
- Reads Tecplot "plt" files.
- $ENSIGHT6_HOME/ensight62/user_defined_src/readers/tecplot
-
- Reads Common File Format data.
- $ENSIGHT6_HOME/ensight62/user_defined_src/readers/cff
-
- Reads Cobalt grid and picture/restart file data.
- $ENSIGHT6_HOME/ensight62/user_defined_src/readers/cobalt
-
- You may find it useful to place your library source in this area as
- well, but are not limited to this location.
-
- * ===> The descriptions of each library routine and the order that the
- routines are called, which is provided in this file, along with
- the example libraries, should make it possible for you to produce
- code for your own data reader.
-
-
-2. Produce the dynamic shared library.
-
- This is a compiling and loading process which varies according to
- the type of machine you are on. Thus, a separate makefile is provided
- for each machine type. Operating system level differences could cause
- you to have to modify these makefiles slightly, but the general
- process is very straightforward. Note that for the SGI environment you
- must compile with the following flags to ensure compatability with
- the EnSight server: Irix_5.3 -mips1
- Irix_6.2 -mips2
- Irix_6.5_n32 -mips3
- Irix_6.5_n64 -mips4 -64
-
- __________________________________________________________________
- | MACHINE | MAKEFILE TO USE | SHARED LIBRARY NAME PRODUCED |
- | TYPE |--------------------------------------------------------|
- | | LD COMMAND USED IN MAKEFILE |
- ==================================================================
- __________________________________________________________________
- | sgi | makefile.sgi | libuserd.so |
- | |--------------------------------------------------------|
- | | ld -shared -all -o libuserd.so libuserd.o |
- ------------------------------------------------------------------
- __________________________________________________________________
- | hp | makefile.hp | libuserd.sl |
- | |--------------------------------------------------------|
- | | ld -b -o libuserd.sl libuserd.o |
- ------------------------------------------------------------------
- __________________________________________________________________
- | sun | makefile.sun | libuserd.so |
- | |--------------------------------------------------------|
- | | ld -G -o libuserd.so libuserd.o |
- ------------------------------------------------------------------
- __________________________________________________________________
- | dec | makefile.dec | libuserd.so |
- | |--------------------------------------------------------|
- | | ld -shared -all -o libuserd.so libuserd.o -lc |
- ------------------------------------------------------------------
- __________________________________________________________________
- | ibm | makefile.ibm | libuserd.so |
- | |--------------------------------------------------------|
- | | ld -G -o libuserd.so libuserd.o -bnoentry -bexpall -lc |
- ------------------------------------------------------------------
-
- Once you have created your library, you should place it in a directory
- of your choice under:
-
- $ENSIGHT6_HOME/machines/$ENSIGHT6_ARCH/lib_readers
-
- Thus, if you created a reader for "mydata", you should create the
- following directory, and place your libuserd.so into it:
-
- $ENSIGHT6_HOME/machines/$ENSIGHT6_ARCH/lib_readers/mydata
-
-
-3. Set up the ENSIGHT6_READER environment variable so EnSight will know
- which reader directory to use at runtime.
-
- Ensight will look for the library under:
-
- $ENSIGHT6_HOME/machines/$ENSIGHT6_ARCH/lib_readers/$ENSIGHT6_READER
-
- When EnSight was installed, you set this variable to "dummy", with:
-
- setenv ENSIGHT6_READER dummy
-
- You can use any of the other provided readers by changing this variable.
- For example, to use the dytran reader:
-
- setenv ENSIGHT6_READER dytran
-
- Thus, you can use your reader in the same way. If you provided "mydata",
- change ENSIGHT6_READER to:
-
- setenv ENSIGHT6_READER mydata
-
-
- For your information, EnSight makes sure that the appropriate library
- environment variable is set for your machine architecture. You do not
- have to deal with this if you locate your library as outlined above.
- The library environment variables used are:
-
- Machine type Environment variable to set
- ------------ ---------------------------
- sgi LD_LIBRARY_PATH
- dec LD_LIBRARY_PATH
- sun LD_LIBRARY_PATH
- hp SHLIB_PATH
- ibm LIBPATH
-
-IMPORTANT: Unless the shared library is available in the
- .../$ENSIGHT6_READER directory, EnSight will not run.
-
-As always, EnSight support is available if you need it.
-
-
-
--------------------------------
-Quick Index of Library Routines
--------------------------------
-
-Generally Needed for UNSTRUCTURED data
---------------------------------------
-USERD_get_number_of_global_nodes number of global nodes
-USERD_get_global_coords global node coordinates
-USERD_get_global_node_ids global node ids
-USERD_get_element_connectivities_for_part part's element connectivites
-USERD_get_element_ids_for_part part's element ids
-USERD_get_scalar_values global scalar variables
-USERD_get_vector_values global vector variables
-
-
-Generally Needed for BLOCK data
------------------------------------------
-USERD_get_block_coords_by_component block coordinates
-USERD_get_block_iblanking block iblanking values
-USERD_get_block_scalar_values block scalar variables
-USERD_get_block_vector_values_by_component block vector variables
-
-
-Generally needed for either or both kinds of data
--------------------------------------------------
-USERD_set_filenames filenames entered in GUI
-USERD_set_time_step current time step
-
-USERD_get_name_of_reader name of reader for GUI
-USERD_get_number_of_files_in_dataset number of files in model
-USERD_get_dataset_query_file_info info about each model file
-USERD_get_changing_geometry_status changing geometry?
-USERD_get_node_label_status node labels?
-USERD_get_element_label_status element labels?
-USERD_get_number_of_time_steps number of time steps
-USERD_get_solution_times solution time values
-USERD_get_description_lines file associated descrip lines
-USERD_get_number_of_variables number of variables
-USERD_get_variable_info variable type/descrip etc.
-USERD_get_constant_value constant variable's value
-USERD_get_number_of_model_parts number of model parts
-USERD_get_part_build_info part type/descrip etc.
-USERD_get_variable_value_at_specific node's or element's variable
- value over time
-
-USERD_stop_part_building cleanup routine
-USERD_bkup archive routine
-
-
-
--------------------------
-Order Routines are called
--------------------------
-
-The various main operations are given basically in the order they will
-be performed. Within each operation, the order the routines will be
-called is given.
-
-1. Setting name in the gui, and specifying one or two input fields
-
- USERD_get_name_of_reader
-
-2. Setting filenames and getting time info
- USERD_set_filenames
- USERD_get_number_of_time_steps
- USERD_get_solution_times
- USERD_set_time_step
-
-3. Gathering info for part builder
-
- USERD_set_time_step
- USERD_get_changing_geometry_status
- USERD_get_node_label_status
- USERD_get_element_label_status
- USERD_get_number_of_files_in_dataset
- USERD_get_dataset_query_file_info
- USERD_get_description_lines (for geometry)
- USERD_get_number_of_model_parts
- USERD_get_part_build_info
- USERD_get_number_global_nodes
- USERD_get_global_coords (for model extents)
- USERD_get_block_coords_by_component (for model extents)
-
-4. Gathering Variable info
-
- USERD_get_number_of_variables
- USERD_get_variable_info
-
-5. Part building (per part created)
-
- USERD_set_time_step
- USERD_get_global_coords
- USERD_get_global_node_ids
- USERD_get_element_connectivities_for_part
- USERD_get_element_ids_for_part
- USERD_get_block_iblanking
- USERD_get_block_coords_by_component
-
- USERD_stop_part_building (only once when part builder
- dialog is closed)
-
-6. Loading Variables
-
- constants:
- ---------
- USERD_set_time_step
- USERD_get_constant_value
-
- scalars:
- -------
- USERD_get_description_lines
- USERD_set_time_step
- USERD_get_scalar_values
- USERD_get_block_scalar_values
-
- vectors:
- -------
- USERD_get_description_lines
- USERD_set_time_step
- USERD_get_vector_values
- USERD_get_block_vector_values_by_component
-
-7. Changing geometry
-
- changing coords only:
- --------------------
- USERD_set_time_step
- USERD_get_global_coords
- USERD_get_block_coords_by_component
-
- changing connectivity:
- ---------------------
- USERD_set_time_step
- USERD_get_number_of_model_parts
- USERD_get_part_build_info
- USERD_get_number_global_nodes
- USERD_get_global_coords
- USERD_get_global_node_ids
- USERD_get_element_connectivities_for_part
- USERD_get_element_ids_for_part
- USERD_get_block_iblanking
- USERD_get_block_coords_by_component
-
-
-
------------------------
-Detailed Specifications
------------------------
-
-Include files:
---------------
-The following header file is required in any file containing these library
-routines.
-
- #include "global_extern.h"
-
-
-Basis of arrays:
----------------
-Unless explicitly stated otherwise, all arrays are zero based - in true C
-fashion.
-
-
-Global variables:
-----------------
-You will generally need to have a few global variables which are shared by
-the various library routines. The detailed specifications below have assumed
-the following are available. (Their names describe their purpose, and they
-will be used in helping describe the details of the routines below).
-
-static int Numparts_available = 0;
-static int Num_unstructured_parts = 0;
-static int Num_structured_blocks = 0;
-
-/* Note: Numparts_available = Num_unstructured_parts + Num_structured_blocks */
-
-static int Num_time_steps = 1;
-static int Num_global_nodes = 0;
-static int Num_variables = 0;
-static int Num_dataset_files = 0;
-static int Current_time_step = 0;
-
-
-
-
-
-_________________________________________
------------------------------------------
-Library Routines (in alphabetical order):
-_________________________________________
------------------------------------------
-
---------------------------------------------------------------------
-USERD_bkup
-
- Description:
- -----------
- This routine is called during the EnSight archive process. You can
- use it to save or restore info relating to your user defined reader.
-
- Specification:
- -------------
- int USERD_bkup(FILE *archive_file,
- int backup_type)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) archive_file = The archive file pointer
-
- (IN) backup_type = Z_SAVE_ARCHIVE for saving archive
- Z_REST_ARCHIVE for restoring archive
-
- Notes:
- -----
- * Since EnSight's archive file is saved in binary form, you should
- also do any writing to it or reading from it in binary.
-
- * You should archive any variables, which will be needed for
- future operations, that will not be read or computed again
- before they will be needed. These are typically global
- variables.
-
- * Make sure that the number of bytes that you write on a save and
- the number of bytes that you read on a restore are identical!!
-
- * If any of the variables you save are allocated arrays, you must
- do the allocations before restoring into them.
-
-
-
---------------------------------------------------------------------
-USERD_get_block_coords_by_component
-
- Description:
- -----------
- Get the coordinates of a given structured block, a component at a time.
-
- Specification:
- -------------
- int USERD_get_block_coords_by_component(int block_number,
- int which_component,
- float *coord_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) block_number = The block part number
-
- (IN) which_component = Z_COMPX if x component wanted
- = Z_COMPY if y component wanted
- = Z_COMPZ if z component wanted
-
- (OUT) coord_array = 1D array containing x,y, or z
- coordinate component of each node
-
- (Array will have been allocated
- i*j*k for the block long)
-
- Notes:
- -----
- * Not called unless Num_structured_blocks is > 0
-
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_block_iblanking
-
- Description:
- -----------
- Get the iblanking value at each node of a block (if the block is
- iblanked).
-
- Specification:
- -------------
- int USERD_get_block_iblanking(int block_number,
- int *iblank_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) block_number = The block part number
- (OUT) iblank_array = 1D array containing iblank value
- for each node.
-
- (Array will have been allocated
- i*j*k for the block long)
-
- possible values are: Z_EXT = exterior
- Z_INT = interior
- Z_BND = boundary
- Z_INTBND = internal boundary
- Z_SYM = symmetry plane
-
- Notes:
- -----
- * Not called unless Num_structured_blocks is > 0 and you have
- some iblanked blocks
-
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_block_scalar_values
-
- Description:
- -----------
- if Z_PER_NODE:
- Get the values at each node of a block, for a given scalar variable
-
- or if Z_PER_ELEM:
- Get the values at each element of a block, for a given scalar variable
-
- Specification:
- -------------
- int USERD_get_block_scalar_values(int block_number,
- int which_scalar,
- float *scalar_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) block_number = The block part number
- (IN) which_scalar = The variable number
- (OUT) scalar_array = 1D array containing scalar values
- for each node or element.
-
- Array will have been allocated:
-
- if Z_PER_NODE:
- i*j*k for the block long
-
- if Z_PER_ELEM:
- (i-1)*(i-1)*(k-1) for the block long
-
- Notes:
- -----
- * Not called unless Num_structured_blocks is > 0,
- Num_variables is > 0, and there are some scalar type variables
-
- * The per_node or per_elem classification must be obtainable from the
- variable number (a var_classify array needs to be retained)
-
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_block_vector_values_by_component
-
- Description:
- -----------
- if Z_PER_NODE:
- Get the values at each node of a block, for a given vector
- variable, one component at a time.
-
- or if Z_PER_ELEM:
- Get the values at each element of a block, for a given vector
- variable, one component at a time.
-
-
- Specification:
- -------------
- int USERD_get_block_vector_values_by_component(int block_number,
- int which_vector,
- int which_component,
- float *vector_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) block_number = The block part number
-
- (IN) which_vector = The variable number
-
- (IN) which_component = Z_COMPX if x component wanted
- = Z_COMPY if y component wanted
- = Z_COMPZ if z component wanted
-
- (OUT) vector_array = 1D array containing vector
- component value for each node or element.
-
- Array will have been allocated:
-
- if Z_PER_NODE:
- i*j*k for the block long
-
- if Z_PER_ELEM:
- (i-1)*(i-1)*(k-1) for the block long
-
- Notes:
- -----
- * Not called unless Num_structured_blocks is > 0,
- Num_variables is > 0, and there are some vector type variables
-
- * The per_node or per_elem classification must be obtainable from the
- variable number (a var_classify array needs to be retained)
-
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_changing_geometry_status
-
- Description:
- -----------
- Gets the changing geometry status for the model
-
- Specification:
- -------------
- int USERD_get_changing_geometry_status( void )
-
- Returns:
- -------
- Z_STATIC if geometry does not change
- Z_CHANGE_COORDS if changing coordinates only
- Z_CHANGE_CONN if changing connectivity
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * EnSight does not support changing number of parts. But the
- coords and/or the connectivity of the parts can change.
-
-
-
---------------------------------------------------------------------
-USERD_get_constant_value
-
- Description:
- -----------
- Get the value of a constant at a time step
-
- Specification:
- -------------
- float USERD_get_constant_value(int which_var)
-
- Returns:
- -------
- Value of the requested constant variable
-
- Arguments:
- ---------
- (IN) which_var = The variable number
-
- Notes:
- -----
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_dataset_query_file_info
-
- Description:
- -----------
- Get the information about files in the dataset. Used for the
- dataset query option within EnSight.
-
- Specification:
- -------------
- int USERD_get_dataset_query_file_info(Z_QFILES *qfiles)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) qfiles = Structure containing information about each file
- of the dataset. The Z_QFILES structure is defined
- in the global_extern.h file
-
- (The structure will have been allocated
- Num_dataset_files long, with 10 description
- lines per file).
-
- qfiles[].name = The name of the file
- (Z_MAXFILENP is the dimensioned length
- of the name)
-
- qfiles[].sizeb = The number of bytes in the file
- (Typically obtained with a call to the
- "stat" system routine) (Is a long)
-
- qfiles[].timemod = The time the file was last modified
- (Z_MAXTIMLEN is the dimensioned length
- of this string)
- (Typically obtained with a call to the
- "stat" system routine)
-
- qfiles[].num_d_lines = The number of description lines you
- are providing from the file. Max = 10
-
- qfiles[].f_desc[] = The description line(s) per file,
- qfiles[].num_d_lines of them
- (Z_MAXFILENP is the allocated length of
- each line)
-
- Notes:
- -----
- * If Num_dataset_files is 0, this routine will not be called.
-
-
-
---------------------------------------------------------------------
-USERD_get_description_lines
-
- Description:
- -----------
- Get two description lines associated with geometry per time step,
- or one description line associated with a variable per time step.
-
- Specification:
- -------------
- int USERD_get_description_lines(int which_type,
- int which_var,
- char line1[Z_BUFL],
- char line2[Z_BUFL])
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) which_type = Z_GEOM for geometry (2 lines)
- = Z_VARI for variable (1 line)
-
- (IN) which_var = If it is a variable, which one.
- Ignored if geometry type.
-
- (OUT) line1 = The 1st geometry description line,
- or the variable description line.
-
- (OUT) line2 = The 2nd geometry description line
- Not used if variable type.
-
- Notes:
- -----
- * Will be based on Current_time_step
-
- * These are the lines EnSight can echo to the screen in
- annotation mode.
-
-
-
---------------------------------------------------------------------
-USERD_get_element_connectivities_for_part
-
- Description:
- -----------
- Gets the connectivities for the elements of an unstructured part
-
- Specification:
- -------------
- int USERD_get_element_connectivities_for_part(int part_number,
- int **conn_array[Z_MAXTYPE])
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) part_number = The part number
-
- (OUT) conn_array = 3D array containing connectivity
- of each element of each type.
-
- (Array will have been allocated
- Z_MAXTYPE by num_of_elements of
- each type by connectivity length
- of each type)
-
- ex) If num_of_elements[Z_TRI03] = 25
- num_of_elements[Z_QUA04] = 100
- num_of_elements[Z_HEX08] = 30
- as obtained in:
- USERD_get_part_build_info
-
- Then the allocated dimensions available
- for this routine will be:
- conn_array[Z_TRI03][25][3]
- conn_array[Z_QUA04][100][4]
- conn_array[Z_HEX08][30][8]
-
- Notes:
- -----
- * Not called unless Num_unstructured_parts is > 0
-
- * Will be based on Current_time_step
-
- * The coord_array loaded in USERD_get_global_coords is zero-based,
- but within EnSight it will become a one-based array.
- Thus, coord_array[0] will be accessed by node 1 from the conn_array,
- coord_array[1] will be accessed by node 2 from the conn_array, etc.
-
- ex) Given a model of two triangles, you should load coord_array in
- USERD_get_global_coords as follows:
-
- node coordinates
- ---- -----------
- 4 --------- 3 1 coord_array[0].xyz[0] = 0.0
- |\ | coord_array[0].xyz[1] = 0.0
- | \ T2 | coord_array[0].xyz[2] = 0.0
- | \ |
- | \ | 2 coord_array[1].xyz[0] = 1.0
- | \ | coord_array[1].xyz[1] = 0.0
- | \ | coord_array[1].xyz[2] = 0.0
- | \ |
- | T1 \ | 3 coord_array[2].xyz[0] = 1.0
- | \| coord_array[2].xyz[1] = 1.6
- 1 --------- 2 coord_array[2].xyz[2] = 0.0
-
- 4 coord_array[3].xyz[0] = 0.0
- coord_array[3].xyz[1] = 1.6
- coord_array[3].xyz[2] = 0.0
-
-
- And conn_array here as follows:
-
- Triangle Connectivity
- -------- ------------
- T1 conn_array[Z_TRI03][0][0] = 1
- conn_array[Z_TRI03][0][1] = 2
- conn_array[Z_TRI03][0][2] = 4
-
- T2 conn_array[Z_TRI03][1][0] = 2
- conn_array[Z_TRI03][1][1] = 3
- conn_array[Z_TRI03][1][2] = 4
-
-
-
---------------------------------------------------------------------
-USERD_get_element_ids_for_part
-
- Description:
- -----------
- Gets the ids for the elements of an unstructured part.
-
- Specification:
- -------------
- int USERD_get_element_ids_for_part(int part_number,
- int *elemid_array[Z_MAXTYPE])
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) part_number = The part number
-
- (OUT) elemid_array = 2D array containing id of each
- element of each type.
-
- (Array will have been allocated
- Z_MAXTYPE by num_of_elements of
- each type)
-
- ex) If num_of_elements[Z_TRI03] = 25
- num_of_elements[Z_QUA04] = 100
- num_of_elements[Z_HEX08] = 30
- as obtained in:
- USERD_get_part_build_info
-
- Then the allocated dimensions available
- for this routine will be:
- conn_array[Z_TRI03][25]
- conn_array[Z_QUA04][100]
- conn_array[Z_HEX08][30]
-
- Notes:
- -----
- * Not called unless Num_unstructured_parts is > 0 and element
- label status is TRUE
-
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_element_label_status
-
- Description:
- -----------
- Answers the question as to whether element labels will be provided.
-
- Specification:
- -------------
- int USERD_get_element_label_status( void )
-
- Returns:
- -------
- TRUE if element labels will be provided
- FALSE if element labels will NOT be provided
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * element lables are needed in order to do any element querying, or
- element labeling on-screen within EnSight.
-
- For unstructured parts, you can read them from your file if
- available, or can assign them, etc. They need to be unique
- per part, and are often unique per model.
-
- USERD_get_element_ids_for_part is used to obtain the ids,
- on a part by part basis, if TRUE status is returned here.
-
- For structured parts, EnSight will assign ids if you return a
- status of TRUE here. You cannot assign them youself!!
-
-
-
---------------------------------------------------------------------
-USERD_get_global_coords
-
- Description:
- -----------
- Gets the coordinates for the global nodes.
-
- Specification:
- -------------
- int USERD_get_global_coords(CRD *coord_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) coord_array = 1D array of CRD structures,
- which contains x,y,z coordinates
- of each node.
-
- (Array will have been allocated
- Num_global_nodes long)
-
- For reference, CRD structure (which is in global_extern) is:
-
- typedef struct {
- float xyz[3];
- }CRD;
-
- Notes:
- -----
- * Not called unless Num_unstructured_parts is > 0
-
- * Will be based on Current_time_step
-
- * The coord_array is zero-based, but within EnSight it will become
- a one-based array.
- Thus, coord_array[0] will be accessed by node 1 from the conn_array,
- coord_array[1] will be accessed by node 2 from the conn_array, etc.
-
- ex) Given a model of two triangles, you should load coord_array as
- follows:
-
- node coordinates
- ---- -----------
- 4 --------- 3 1 coord_array[0].xyz[0] = 0.0
- |\ | coord_array[0].xyz[1] = 0.0
- | \ T2 | coord_array[0].xyz[2] = 0.0
- | \ |
- | \ | 2 coord_array[1].xyz[0] = 1.0
- | \ | coord_array[1].xyz[1] = 0.0
- | \ | coord_array[1].xyz[2] = 0.0
- | \ |
- | T1 \ | 3 coord_array[2].xyz[0] = 1.0
- | \| coord_array[2].xyz[1] = 1.6
- 1 --------- 2 coord_array[2].xyz[2] = 0.0
-
- 4 coord_array[3].xyz[0] = 0.0
- coord_array[3].xyz[1] = 1.6
- coord_array[3].xyz[2] = 0.0
-
-
- And conn_array in USERD_get_element_connectivities_for_part
- as follows:
-
- Triangle Connectivity
- -------- ------------
- T1 conn_array[Z_TRI03][0][0] = 1
- conn_array[Z_TRI03][0][1] = 2
- conn_array[Z_TRI03][0][2] = 4
-
- T2 conn_array[Z_TRI03][1][0] = 2
- conn_array[Z_TRI03][1][1] = 3
- conn_array[Z_TRI03][1][2] = 4
-
---------------------------------------------------------------------
-USERD_get_global_node_ids
-
- Description:
- -----------
- Gets the node ids assigned to each of the global nodes.
-
- Specification:
- -------------
- int USERD_get_global_node_ids(int *nodeid_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) nodeid_array = 1D array containing node ids of
- each node. The ids must be > 0
-
- (Array will have been allocated
- Num_global_nodes long)
- Notes:
- -----
- * Not called unless Num_unstructured_parts is > 0 and node label
- status is TRUE
-
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_name_of_reader
-
- Description:
- -----------
- Gets the name of your user defined reader. The user interface will
- ask for this and include it in the available reader list.
-
- Specification:
- -------------
- int USERD_get_name_of_reader(char reader_name[Z_MAX_USERD_NAME],
- int *two_fields)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) reader_name = the name of the your reader or data format.
- (max length is Z_MAX_USERD_NAME, which is 20)
-
- (OUT) *two_fields = FALSE if only one data field required
- in the data dialog of EnSight.
- TRUE if two data fields required.
-
- Notes:
- -----
- * Always called. Provide a name for your custom reader format.
-
- * If you don't want a custom reader to show up in the data dialog
- choices, return a name of "No_Custom"
-
-
-
---------------------------------------------------------------------
-USERD_get_node_label_status
-
- Description:
- -----------
- Answers the question as to whether node labels will be provided.
-
- Specification:
- -------------
- int USERD_get_node_label_status( void )
-
- Returns:
- -------
- TRUE if node labels will be provided
- FALSE if node labels will NOT be provided
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * Node ids are needed in order to do any node querying, or node
- labeling on-screen within EnSight.
-
- For unstructured parts, you can read them from your file if
- available, or can assign them, etc. They need to be unique
- per part, and are often unique per model. The must also be
- positive numbers greater than zero.
-
- USERD_get_global_node_ids is used to obtain the ids, if the
- status returned here is TRUE.
-
- Also be aware that if you say node labels are available,
- the connectivity of elements must be according to these
- node ids.
-
- For structured parts, EnSight will assign ids if you return a
- status of TRUE here. You cannot assign them yourself!!
-
-
-
---------------------------------------------------------------------
-USERD_get_number_of_files_in_dataset
-
- Description:
- -----------
- Get the total number of files in the dataset. Used for the
- dataset query option within EnSight.
-
- Specification:
- -------------
- int USERD_get_number_of_files_in_dataset( void )
-
- Returns:
- -------
- The total number of files in the dataset.
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * You can be as complete as you want about this. If you don't
- care about the dataset query option, return a value of 0
- If you only want certain files, you can just include them. But,
- you will need to supply the info in USERD_get_dataset_query_file_info
- for each file you include here.
-
- * Num_dataset_files would be set here
-
-
-
---------------------------------------------------------------------
-USERD_get_number_of_global_nodes
-
- Description:
- -----------
- Gets the number of global nodes, used for unstructured parts.
-
- Specification:
- -------------
- int USERD_get_number_of_global_nodes()
-
- Returns:
- -------
- Number of global nodes (>=0 if okay, <0 if problems)
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * Not called unless Num_unstructured_parts is > 0
-
- * Will be based on Current_time_step
-
- * For unstructured data:
- EnSight wants 1. A global array of nodes
- 2. Element connectivities by part, which
- reference the node numbers of the global
- node array.
- IMPORTANT:
- ---------
- If you provide node ids, then element connectivities
- must be in terms of the node ids. If you do not
- provide node ids, then element connectivities must be
- in terms of the index into the node array, but shifted
- to start at 1
-
- * Num_global_nodes would be set here
-
-
-
---------------------------------------------------------------------
-USERD_get_number_of_model_parts
-
- Description:
- -----------
- Gets the total number of unstructured and structured parts
- in the model, for which you can supply information.
-
- Specification:
- -------------
- int USERD_get_number_of_model_parts( void )
-
- Returns:
- -------
- Number of parts (>0 if okay, <=0 if probs).
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * If going to have to read down through the parts in order to
- know how many, you may want to build a table of pointers to
- the various parts, so you can easily get to particular parts in
- later processes. If you can simply read the number of parts
- at the head of the file, then you would probably not build the
- table at this time.
-
- * This routine would set Numparts_available, which is equal to
- Num_unstructured_parts + Num_structured_blocks.
-
-
-
---------------------------------------------------------------------
-USERD_get_number_of_time_steps
-
- Description:
- -----------
- Gets the number of time steps of data available.
-
- Specification:
- -------------
- int USERD_get_number_of_time_steps( void )
-
- Returns:
- -------
- Number of time steps (>0 if okay, <=0 if problems).
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * This should be >= 1 1 indicates a static model
- >1 indicates a transient model
-
- * Num_time_steps would be set here
-
-
-
---------------------------------------------------------------------
-USERD_get_number_of_variables
-
- Description:
- -----------
- Get the number of variables for which you will be providing info.
-
- Specification:
- -------------
- int USERD_get_number_of_variables( void )
-
- Returns:
- -------
- Number of variables (includes constant, scalar, and vector types)
- (>=0 if okay, <0 if problem)
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- *****************************************************************
- * Variable numbers, by which references will be made, are implied
- here. If you say there are 3 variables, the variable numbers
- will be 1, 2, and 3.
- *****************************************************************
-
- * Num_variables would be set here
-
-
-
---------------------------------------------------------------------
-USERD_get_part_build_info
-
- Description:
- -----------
- Gets the info needed for the part building process.
-
- Specification:
- -------------
- int USERD_get_part_build_info(int *part_numbers,
- int *part_types,
- char *part_description[Z_BUFL],
- int *number_of_elements[Z_MAXTYPE],
- int *ijk_dimensions[3],
- int *iblanking_options[6])
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) part_numbers = Array containing part numbers for
- each of the model parts.
-
- IMPORTANT:
- Parts numbers must be >= 1
-
- ********************************************
- The numbers provided here are the ones by
- which the parts will be referred to in any
- of the other routines which receive a part
- number or block number as an argument!!
- ********************************************
-
- (Array will have been allocated
- Numparts_available long)
-
- (OUT) part_types = Array containing one of the
- following for each model part:
-
- Z_UNSTRUCTURED or
- Z_STRUCTURED or
- Z_IBLANKED
-
- (Array will have been allocated
- Numparts_available long)
-
- (OUT) part_description = Array containing a description
- for each of the model parts
-
- (Array will have been allocated
- Numparts_available by Z_BUFL
- long)
-
- (OUT) number_of_elements = 2D array containing number of
- each type of element for each
- unstructured model part.
- ------------
- Possible types are:
-
- Z_POINT = point
- Z_BAR02 = 2-noded bar
- Z_BAR03 = 3-noded bar
- Z_TRI03 = 3-noded triangle
- Z_TRI06 = 6-noded triangle
- Z_QUA04 = 4-noded quadrilateral
- Z_QUA08 = 8-noded quadrilateral
- Z_TET04 = 4-noded tetrahedron
- Z_TET10 = 10-noded tetrahedron
- Z_PYR05 = 5-noded pyramid
- Z_PYR13 = 13-noded pyramid
- Z_PEN06 = 6-noded pentahedron
- Z_PEN15 = 15-noded pentahedron
- Z_HEX08 = 8-noded hexahedron
- Z_HEX20 = 20-noded hexahedron
-
- (Ignored unless Z_UNSTRUCTURED type)
-
- (Array will have been allocated
- Numparts_available by
- Z_MAXTYPE long)
-
- (OUT) ijk_dimensions = 2D array containing ijk dimensions
- for each structured model part.
- ----------
- (Ignored if Z_UNSTRUCTURED type)
-
- (Array will have been allocated
- Numparts_available by 3 long)
-
- ijk_dimensions[][0] = I dimension
- ijk_dimensions[][1] = J dimension
- ijk_dimensions[][2] = K dimension
-
- (OUT) iblanking_options = 2D array containing iblanking
- options possible for each
- structured model part.
- ----------
- (Ignored unless Z_IBLANKED type)
-
- (Array will have been allocated
- Numparts_available by 6 long)
-
- iblanking_options[][Z_EXT] = TRUE if external (outside)
- [][Z_INT] = TRUE if internal (inside)
- [][Z_BND] = TRUE if boundary
- [][Z_INTBND] = TRUE if internal boundary
- [][Z_SYM] = TRUE if symmetry surface
-
-
- Notes:
- -----
- * If you haven't built a table of pointers to the different parts,
- you might want to do so here as you gather the needed info.
-
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_scalar_values
-
- Description:
- -----------
- if Z_PER_NODE:
- Get the values at each global node for a given scalar variable.
-
- or if Z_PER_ELEM:
- Get the values at each element of a specific part and type for a
- given scalar variable.
-
- Specification:
- -------------
- int USERD_get_scalar_values(int which_scalar,
- int which_part,
- int which_type,
- float *scalar_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) which_scalar = The variable number (of scalar type)
-
- (IN) which_part
-
- if Z_PER_NODE: Not used
-
- if Z_PER_ELEM: = The part number
-
- (IN) which_type
-
- if Z_PER_NODE: Not used
-
- if Z_PER_ELEM: = The element type
-
- (OUT) scalar_array
-
- if Z_PER_NODE: = 1D array containing scalar values
- for each node.
-
- (Array will have been allocated
- Num_global_nodes long)
-
- if Z_PER_ELEM: = 1d array containing scalar values for
- each element of a particular part and type.
-
- (Array will have been allocated
- number_of_elements[which_part][which_type]
- long. See USERD_get_part_build_info)
-
- Notes:
- -----
- * Not called unless Num_unstructured_parts is > 0,
- Num_variables is > 0, and you have some scalar type variables.
-
- * The per_node or per_elem classification must be obtainable from the
- variable number (a var_classify array needs to be retained)
-
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_solution_times
-
- Description:
- -----------
- Get the solution times associated with each time step.
-
- Specification:
- -------------
- int USERD_get_solution_times(float *solution_times)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) solution_times = 1D array of solution times/time step
-
- (Array will have been allocated
- Num_time_steps long)
-
- Notes:
- -----
- * The solution times must be non-negative and increasing.
-
-
-
---------------------------------------------------------------------
-USERD_get_variable_info
-
- Description:
- -----------
- Get the variable descriptions, types and filenames
-
- Specification:
- -------------
- int USERD_get_variable_info(char **var_description,
- char **var_filename,
- int *var_type,
- int *var_classify)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) var_description = Variable descriptions
-
- (Array will have been allocated
- Num_variables by Z_BUFL long)
-
- (OUT) var_filename = Variable filenames
-
- (Array will have been allocated
- Num_variables by Z_BUFL long)
-
- (OUT) var_type = Variable type
-
- (Array will have been allocated
- Num_variables long)
-
- types are: Z_CONSTANT
- Z_SCALAR
- Z_VECTOR
-
- (OUT) var_classify = Variable classification
-
- (Array will have been allocated
- Num_variables long)
-
- types are: Z_PER_NODE
- Z_PER_ELEM
-
- Notes:
- -----
- * The implied variable numbers apply, but be aware that the
- arrays are zero based.
- So for variable 1, will need to provide var_description[0]
- var_filename[0]
- var_type[0]
- var_classify[0]
-
- for variable 2, will need to provide var_description[1]
- var_filename[1]
- var_type[1]
- var_classify[1]
- etc.
-
-
-
---------------------------------------------------------------------
-USERD_get_variable_value_at_specific
-
- Description:
- -----------
- if Z_PER_NODE:
- Get the value of a particular variable at a particular node in a
- particular part at a particular time.
-
- or if Z_PER_ELEM:
- Get the value of a particular variable at a particular element of
- a particular type in a particular part at a particular time.
-
-
- Specification:
- -------------
- int USERD_get_variable_value_at_specific(int which_var,
- int which_node_or_elem,
- int which_part,
- int which_elem_type,
- int time_step,
- float values[3])
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) which_var = The variable number
-
- (IN) which_node_or_elem
-
- If Z_PER_NODE:
- = The node number. This is not the id, but is
- the index of the global node
- list (1 based), or the block's
- node list (1 based).
-
- Thus, coord_array[1]
- coord_array[2]
- coord_array[3]
- . |
- . |which_node_or_elem index
- . ----
-
-
- If Z_PER_ELEM:
- = The element number. This is not the id, but is
- the element number index
- of the number_of_element array
- (see USERD_get_part_build_info),
- or the block's element list
- zzzzz (1 based).
-
- Thus, for which_part:
- conn_array[which_elem_type][0]
- conn_array[which_elem_type][1]
- conn_array[which_elem_type][2]
- . |
- . which_node_or_elem index
- . ----
-
-
- (IN) which_part
-
- If Z_PER_NODE, or block part:
- = Not used
-
- If Z_PER_ELEM:
- = The part number
-
- (IN) which_elem_type
-
- If Z_PER_NODE, or block part:
- = Not used
-
- If Z_PER_ELEM:
- = The element type. This is the element type index
- of the number_of_element array
- (see USERD_get_part_build_info)
-
- (IN) time_step = The time step
-
- (OUT) values = scalar or vector component value(s)
- values[0] = scalar or vector[0]
- values[1] = vector[1]
- values[2] = vector[2]
-
-
- Notes:
- -----
- * This routine is used in node querys over time (or element querys over
- time for Z_PER_ELEM variables). If these operations are not critical
- to you, this can be a dummy routine.
-
- * The per_node or per_elem classification must be obtainable from the
- variable number (a var_classify array needs to be retained)
-
-
---------------------------------------------------------------------
-USERD_get_vector_values
-
- Description:
- -----------
- if Z_PER_NODE:
- Get the values at each global node for a given vector variable.
-
- or if Z_PER_ELEM:
- Get the values at each element of a specific part and type for a
- given vector variable.
-
- Specification:
- -------------
- int USERD_get_vector_values(int which_vector,
- int which_part,
- int which_type,
- float *vector_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) which_vector = The variable number
-
- (IN) which_part
-
- if Z_PER_NODE: Not used
-
- if Z_PER_ELEM: = The part number
-
- (IN) which_type
-
- if Z_PER_NODE: Not used
-
- if Z_PER_ELEM: = The element type
-
- (OUT) vector_array
-
- if Z_PER_NODE: = 1D array containing vector values
- for each node.
-
- (Array will have been allocated
- 3 by Num_global_nodes long)
-
- Info stored in this fashion:
- vector_array[0] = xcomp of node 1
- vector_array[1] = ycomp of node 1
- vector_array[2] = zcomp of node 1
-
- vector_array[3] = xcomp of node 2
- vector_array[4] = ycomp of node 2
- vector_array[5] = zcomp of node 2
-
- vector_array[6] = xcomp of node 3
- vector_array[7] = ycomp of node 3
- vector_array[8] = zcomp of node 3
- etc.
-
- if Z_PER_ELEM: = 1d array containing vector values for
- each element of a particular part and type.
-
- (Array will have been allocated
- 3 by number_of_elements[which_part][which_type]
- long. See USERD_get_part_build_info)
-
- Info stored in this fashion:
- vector_array[0] = xcomp of elem 1 (of part and type)
- vector_array[1] = ycomp of elem 1 "
- vector_array[2] = zcomp of elem 1 "
-
- vector_array[3] = xcomp of elem 2 "
- vector_array[4] = ycomp of elem 2 "
- vector_array[5] = zcomp of elem 2 "
-
- vector_array[6] = xcomp of elem 3 "
- vector_array[7] = ycomp of elem 3 "
- vector_array[8] = zcomp of elem 3 "
- etc.
-
- Notes:
- -----
- * Not called unless Num_unstructured_parts is > 0,
- Num_variables is > 0, and you have some vector type variables
-
- * The per_node or per_elem classification must be obtainable from the
- variable number (a var_classify array needs to be retained)
-
- * Will be based on Current_time_step
-
-
---------------------------------------------------------------------
-USERD_set_filenames
-
- Description:
- -----------
- Receives the geometry and result filenames entered in the data
- dialog. The user written code will have to store and use these
- as needed.
-
- Specification:
- -------------
- int USERD_set_filenames(char filename_1[],
- char filename_2[],
- char the_path[],
- int swapbytes)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) filename_1 = the filename entered into the geometry
- field of the data dialog.
- (IN) filename_2 = the filename entered into the result
- field of the data dialog.
- (If the two_fields flag in USERD_get_name_of_reader
- is FALSE, this will be null string)
- (IN) the_path = the path info from the data dialog.
- Note: filename_1 and filename_2 have already
- had the path prepended to them. This
- is provided in case it is needed for
- filenames contained in one of the files
- (IN) swapbytes = TRUE if should swap bytes when reading data.
-
- Notes:
- -----
- * Since you must manage everything from the input that is entered in
- these data dialog fields, this is an important routine!
-
- * It may be that you will need to have an executive type file that contains
- info and other filenames within it, like EnSight6's case file.
-
-
-
---------------------------------------------------------------------
-USERD_set_time_step
-
- Description:
- -----------
- Set the current time step. All functions that need time, and
- that do not explicitly pass it in, will use the time step set by
- this routine.
-
- Specification:
- -------------
- void USERD_set_time_step(int time_step)
-
- Returns:
- -------
- nothing
-
- Arguments:
- ---------
- (IN) time_step - The current time step to set
-
- Notes:
- -----
- * Current_time_step would be set here
-
-
-
---------------------------------------------------------------------
-USERD_stop_part_building
-
- Description:
- -----------
- This routine called when the part building dialog is closed. It is
- provided in case you desire to release memory, etc. that was only needed
- during the part building process.
-
- Specification:
- -------------
- void USERD_stop_part_building( void )
-
- Returns:
- -------
- nothing
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/README_1.0_to_2.0 b/applications/utilities/postProcessing/graphics/ensightFoamReader/README_1.0_to_2.0
deleted file mode 100644
index 35d8015..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/README_1.0_to_2.0
+++ /dev/null
@@ -1,361 +0,0 @@
-README_1.0_to_2.0
-=================
-This document exists to help those who already have a working user defined
-reader (using the 1.0 API) to change it into the 2.0 API format - if desired.
-
-Note that you do not have to update your (1.0 API) user defined reader if it
-is already working fine for you.
-
-You should consider it if:
- - efficieny gains are needed or
- - you need access to complex variables or
- - you need access to tensor variables or
- - you need multiple timeset capability or
- - you want to provide your own "border" elements (as opposed to EnSight's
- computation of them)
-
-As an indication of the differences that might be realized in efficency,
-consider the following comparison on an unstructured model consisting of:
-
-1,639,058 nodes
-7,079,211 elements 240530 tria3
- 3984 quad4
- 5927663 tetra4
- 653 pyramid5
- 906381 penta6
-
-12 parts
-
-The same model was represented in EnSight6 and EnSight Gold format.
-
-
- EnSight6 format into: EnSight Gold format into:
- ------------------------------------ -------------------------
- EnSight7.1 |Ensight7.2 |Ensight 7.1 |EnSight7.2 |Ensight7.2
- internal |internal |userd reader |internal |userd reader
- reader |reader |(API 1.0) |reader |(API 2.0)
- | | | |
- Time | Mem |Time | Mem |Time | Mem |Time | Mem |Time | Mem
- (sec)| (Mb) |(sec)| (Mb) |(sec)| (Mb) |(sec)| (Mb) |(sec)| (Mb)
- ----------- |----------- |----------- |----------- |-----------
-@ part 4.3 27.6 | 3.5 28.4 | 4.0 27.6 | 3.3 8.8 | 3.3 8.9
-loader | | | |
- | | | |
-after 14.0 243.4 |12.8 244.3 |49.8 475.8 | 6.0 211.5 | 6.2 211.6
-loading all | | | |
-12 parts | | | |
-(non-visual) | | | |
- | | | |
-after 16.8 263.2 |16.0 264.2 |52.8 490.7 | 9.1 236.2 | 9.5 236.2
-activate of | | | |
-a vector. | | | |
- ^ ^
- /|\ /|\
- | |
- | |
- | |
- Compare these two!
-
-
-Significant is the inefficiency of the 1.0 API, and the fact that the
-2.0 API has the same improved efficiency (both in speed and memory) as
-the gold internal reader!
-
-Note: Structured data will not show much difference between the two API's,
-but it was more efficient initially.
-
-
-=========================================================
-A note on philosophical differences between the two API's:
-=========================================================
-
-API 1.0 deals with:
--------------------
- -> global coordinate array & corresponding
- -> global node id array
- -> global nodal variables
-
- -> for each part:
- -> local element connectivities (grouped by type) & corresponding
- -> local element ids
- -> local elemental variables
-
-
-The element connectivities, within parts, reference the global coordinate
-array. If node ids are provided, the element connectivities have to be in
-terms of the node ids. If node ids are not provided, the connectivities are in
-terms of the (one-based) index number of each node in the global coordinate
-array. Thus, node ids are more than labels - they are a part of the
-connectivity referencing scheme. Element ids are purely labels.
-
-This API was originally setup to try to make the interface to other codes as
-straightforward as possible. Efficiency was not the major consideration.
-
-EnSight must do a fair amount of work to get data provided in the manner
-described above into the form that it uses internally. There is mapping that
-has to be setup and maintained between the global arrays and the local part
-arrays so that updating over time can be accomplished efficiently. There is
-hashing that is required in order to deal efficently with node ids.
-
-All of this leads to a considerable amount of temporary memory and processing,
-in order to get a model read into EnSight.
-
-
-API 2.0 deals with:
--------------------
- -> for each part:
- -> part coordinates & corresponding
- -> part node ids
- -> part nodal variables
-
- -> part element connectivities (grouped by type) & corresponding
- -> part element ids
- -> part elemental variables
-
-API 2.0 requires that the coordinates and corresponding nodal variables be
-provided per part. This eliminates the global to local mapping with all its
-associated temporary memory and processing time. The connectivity of the
-elements in each part reference the node indicies of its own (one-based) part
-coordinate array. The connectivity of the elements do not reference the nodes
-according to node ids. Node ids (and element ids for that matter) are purely
-labels for screen display and for query operations within EnSight. This
-eliminates the need for node id hashing as a model is read.
-
-The 2.0 API has been created for those needing more efficiency - both in terms
-of memory use and speed. The increased efficiency is possible because data is
-requested in a manner which more closely represents the way that EnSight
-stores and manipulates information internally. The new API requests size
-information and allocates the actual internal structures and arrays
-accordingly. Pointers to these arrays are passed directly to you in the
-routines which gather data, thus eliminating a considerable amount of
-temporary memory (and allocation time) that is needed in the old
-API. Depending on what you must do to get your data into the form required,
-the memory savings and the speed improvement when loading models can be quite
-significant!!
-
-Additionally, the ability to handle tensor and complex variables has been
-added to the new API, and support for multiple timesets is provided.
-------------------------------------------------
-
-
-So, with that said, if you determine that you want to convert your existing
-reader to the new API format, The following may be helpful.
-
-====================
-First the Good News! The following routines are identical in both API's!!
-==================== ----------------------------------------------------
-USERD_bkup
-USERD_get_block_coords_by_component
-USERD_get_block_iblanking
-USERD_get_changing_geometry_status
-USERD_get_dataset_query_file_info
-USERD_get_element_label_status
-USERD_get_name_of_reader
-USERD_get_node_label_status
-USERD_get_number_of_files_in_dataset
-USERD_get_number_of_model_parts
-USERD_get_number_of_variables
-USERD_set_filenames
-USERD_stop_part_building
-
-
-
-========================
-Second, pretty Good News! The following routines have minor changes,
-======================== namely a slight name change and the addition
- of arguments related to complex data, constant
-(Note, the name changes type, or self contained parts vs global coords.
- are needed so both
- API's can exist together) The arguments must be added, but depending on
- your situation, many might simply be place
- holders.
--------------------------------------------------------------------------------
-
- -----------------------------------------------------
-A) Changes related to imaginary flag for complex data
- =====================================================
- If you don't deal with complex variables, simply add
- this flag to your argument list and ignore its value.
- -----------------------------------------------------
-
-API 1.0 API 2.0
-------- -------
-USERD_get_constant_value USERD_get_constant_val
-( (
- int which var int which_var,
- int imag_data
-) )
-
-USERD_get_description_lines USERD_get_descrip_lines
-( (
- int which_type, int which_type,
- int which_var, int which_var,
- int imag_data,
- char line1[Z_BUFL], char line1[Z_BUFL],
- char line2[Z_BUFL] char line2[Z_BUFL]
-) )
-
-USERD_get_variable_value_at_specific USERD_get_var_value_at_specific
-( (
- int which_var, int which_var,
- int which_node_or_elem, int which_node_or_elem,
- int which_part, int which_part,
- int which_elem_type, int which_elem_type,
- int time_step, int time_step,
- float values[3] float values[3],
- int imag_data
-) )
-
-
- ---------------------------------------------------------
-B) Changes related to complex data info, and constant type
- (and some of the multiple timeset support)
- =========================================================
- If you don't deal with complex variables, simply add the
- arguments for var_complex, var_ifilename, and var_freq
- and assign var_complex to be FALSE.
-
- The argument var_contran needs to be added, and set
- appropriately if you have constant variables, to indicate
- if the constant variable is fixed for all time or varies
- over time.
-
- The argument var_timeset needs to be added, and set
- appropriately.
- ---------------------------------------------------------
-
-API 1.0 API 2.0
-------- -------
-USERD_get_variable_info USERD_get_gold_variable_info
-( (
- char **var_description, char **var_description,
- char **var_filename, char **var_filename,
- int *var_type, int *var_type,
- int *var_classify int *var_classify,
- int *var_complex,
- char **var_ifilename,
- float *var_freq,
- int *var_contran,
- int *var_timeset
-) )
-
-
- ------------------------------------------------------
-C) Changes related to self contained part coordinates
- ======================================================
- The number_of_nodes argument needs to be added and
- set for each part. This one is critical for you to do.
- ------------------------------------------------------
-
-API 1.0 API 2.0
-------- -------
-USERD_get_part_build_info USERD_get_gold_part_build_info
-( (
- int *part_numbers, int *part_types,
- int *part_types, int *part_types,
- char *part_description[Z_BUFL], char *part_description[Z_BUFL],
- int *number_of_nodes,
- int *number_of_elements[Z_MAXTYPE], int *number_of_elements[Z_MAXTYPE],
- int *ijk_dimensions[3], int *ijk_dimensions[3],
- int *iblanking_options[6] int *iblanking_options[6]
-) )
-
-
- ------------------------------------------------------
-D) Changes related to multiple timeset support
- ======================================================
- The timeset_number argument needs to be added for the
- following three routines.
-
- The multiple timeset support also includes the change
- in B) above for USERD_get_gold_variable_info and the
- last three new routines in the third section of this
- readme file.
- ------------------------------------------------------
-
-API 1.0 API 2.0
-------- -------
-USERD_get_number_of_time_steps USERD_get_num_of_time_steps
-( (
- void int timeset_number
-) )
-
-USERD_get_solution_times USERD_get_sol_times
-( (
- int timeset_number,
- float *solution_times float *solution_times
-) )
-
-USERD_set_time_step USERD_set_time_set_and_step
-( (
- int timeset_number,
- int time_step int time_step
-) )
-
-
- ------------------------------------------------------
-E) Changes related to global_extern.h
- ======================================================
-
- Be sure to include the updated global_extern.h file that comes
- with the EnSight 7.2 release (not the one from previous releases).
-
-
-
-
-=================================================================
-Third, deleted and new routines. (Here is where the work lies)
-
- Several old routines are gone. You will have to create the new
- routines that replace them. I think you will find in most cases
- that your old routines will form the basis of the new routines,
- and that it isn't too difficult to provide the information in
- the new way.
-
- The detailed specifications for these new routines can be found
- in README_USERD_2.0 (or the headers in libuserd.c of the
- dummy_gold or ensight_gold readers).
-=================================================================
-
-API 1.0 API 2.0
-------- -------
-
-These routines: replaced by the single routine:
---------------------------- -------------------------------
-USERD_get_block_scalar_values USERD_get_var_by_component
-USERD_get_block_vector_values_by_component
-USERD_get_scalar_values
-USERD_get_vector_values
-
-These global coordinate routines: replaced by part coord routines:
---------------------------------- --------------------------------
-USERD_get_global_coords USERD_get_part_coords
-USERD_get_global_node_ids USERD_get_part_node_ids
-USERD_get_number_of_global_nodes
-
-These part connectivity routines: replaced by part by type routines:
---------------------------------- ----------------------------------
-USERD_get_element_connectivities_for_part USERD_get_part_elements_by_type
-USERD_get_element_ids_for_part USERD_get_part_element_ids_by_type
-
-
- These are New Routines
- ----------------------
- (Can be a dummy) -> USERD_exit_routine
- (Can be a dummy) -> USERD_get_model_extents
- (Required) -> USERD_get_reader_version
-
- multiple timeset releated:
- (Required) -> USERD_get_number_timesets
- (Required) -> USERD_get_timeset_description
- (Required) -> USERD_get_geom_timeset_number
-
- border provided by the reader option:
- (Required) -> USERD_get_border_availability
- (Can be a dummy) -> USERD_get_border_elements_by_type
-
- transient model allocation efficency:
- (Can be a dummy) -> USERD_get_maxsize_info
-
- Possible use with Server-of-Servers:
- (Can be a dummy) -> USERD_set_server_number
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/README_2.01_to_2.03 b/applications/utilities/postProcessing/graphics/ensightFoamReader/README_2.01_to_2.03
deleted file mode 100644
index 23f27ec..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/README_2.01_to_2.03
+++ /dev/null
@@ -1,1374 +0,0 @@
-README_USERD_2.03
-=================
-
-At this API revision level:
-
-1. Routines to handle materials have been added.
-2. Routines to handle nsided and nfaced elements have been added
-3. A routine has modified so structured ranges can be specified
-
-****************************************************************************
-Note: The dummy_gold reader, the Ensight Gold example reader, and the
- SILO reader have been moved to this 2.03 API level.
-****************************************************************************
-
--------------------------------
-Quick Index of Library Routines
--------------------------------
-
-The new new routines are:
--------------------------
-USERD_get_number_of_material_sets Gets the number of material sets
-USERD_get_matf_set_info Gets the material set indices and names
-USERD_get_number_of_materials Gets the number of materials
-USERD_get_matf_var_info Gets the material indices and descriptions
-USERD_size_matf_data Gets the length of either the
- material ids list,
- mixed-material ids list, or
- mixed-material values list
-USERD_load_matf_data Gets the material ids list,
- mixed-material ids list, or
- mixed-material values list
-
-USERD_get_nsided_conn Gets the element connectivities for nsided
- elements. (utilizes the number of nodes
- per element obtained in
- USERD_get_part_elements_by_type)
-USERD_get_nfaced_nodes_per_face Gets the number of nodes per face for nfaced
- elements (utilizes the number of faces
- per element obtained in
- USERD_get_part_elements_by_type)
-USERD_get_nfaced_conn Gets the element connectivities for nfaced
- elements (utilizes the number of nodes
- per face obtained in
- USERD_get_nfaced_nodes_per_face)
-The modified routine is:
-------------------------
-USERD_get_gold_part_build_info Gets the info needed for part building
- process
-
---------------------
-Header files changes
---------------------
-global_extern.h has appropriate changes, must use it
-global_extern_proto.h new file, access from global_extern.h
-
-Basically the the old global_extern.h file has been split into two files now.
-
-
-
--------------------------
-Order Routines are called
--------------------------
-
-The various main operations are given basically in the order they will
-be performed. Within each operation, the order the routines will be
-called is given.
-
-10. To see if materials in the model
-
- USERD_get_number_of_material_sets
-
- If any material sets in the model (calls these once per material set):
- USERD_get_matf_set_info
- USERD_get_number_of_materials
- USERD_get_matf_var_info
-
- For each elment type of each part containing material ids, calls:
- USERD_size_matf_data
- USERD_load_matf_data
-
- If there are any elements with mixed materials, when a domain or
- interface is created, calls these again per part:
-
- USERD_size_matf_data
- USERD_load_matf_data
-
-6. Part building (per part created)
-
- both unstructured and structured:
- --------------------------------
- USERD_set_time_set_and_step
-
- if unstructured part:
- --------------------
- USERD_get_part_element_ids_by_type
- USERD_get_part_elements_by_type
-
- If any nsided elements:
-
- USERD_get_nsided_conn
-
- If any nfaced elements:
-
- USERD_get_nfaced_nodes_per_face
- USERD_get_nfaced_conn
-
- USERD_get_part_coords
- USERD_get_part_node_ids
-
- .
- .
- .
-
-
------------------------
-Detailed Specifications
------------------------
-
-Include files:
---------------
-The following header file is required in any file containing these library
-routines.
-
- #include "global_extern.h"
-
-
-
-*******************************************************************************
-****************************** Special Note ***********************************
-*******************************************************************************
-
-Make sure you use the proper define in the global_extern.h header file, namely:
-#define USERD_API_203
-
-Also, Make sure the api version in the USERD_get_reader_version routine is set
-to "2.03" or larger.
-
-Make sure your reader has access to the global_extern_proto.h This is a new
-file which is access from the new global_extern.h
-
-*******************************************************************************
-*******************************************************************************
-
-____________________
---------------------
-New Library Routines
-____________________
---------------------
-
---------------------------------------------------------------------
-USERD_get_number_of_material_sets -
-
- Description:
- -----------
- Get the number of material sets in the model
-
- Specification:
- -------------
- int USERD_get_number_of_material_sets( void )
-
-
- Returns:
- -------
- Num_material_sets = number of material sets
- (Zero would indicate that you have no materials
- to deal with in the model)
-
- or
-
- -1 if an error condition
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * You may want to keep this as a global for use in other routines.
-
- ###############################################################
- NOTE: For EnSight 7.6, only one material set is supported
- within EnSight.
- Thus the only valid returns here are:
- 0 (no materials)
- 1 (for the one material set allowed)
- or -1 (if an error)
-
- If the casefile has more than this, this reader will
- read them, but EnSight will issue an error message and
- choke on them!
- ###############################################################
-
- ================================================================
- A very simple explanatory example, to use as a reference for the
- materials routines:
-
- Given a 2D mesh composed of 9 quad (Z_QUA04) elements, with two materials.
- Most of the model is material 1, but the top left corner is material 9 -
- basically as shown:
-
-
- *--------*--------*--------*
- | | / | |
- | Mat 9 / | |
- | | / | |
- | |/ | |
- | e7 / e8 | e9 |
- | /| | |
- | / | | |
- | / | | |
- *----/---*--------*--------*
- | / | | |
- | / | | |
- | / | Mat 1 |
- |/ | | |
- | e4 | e5 | e6 |
- | | | |
- | | | |
- | | | |
- *--------*--------*--------*
- | | | |
- | | | |
- | | | |
- | | | |
- | e1 | e2 | e3 |
- | | | |
- | | | |
- | | | |
- *--------*--------*--------*
-
-
- Thus, in this routine, set:
- Num_material_sets = 1
-
- In USERD_get_matf_set_info, set:
- mat_set_ids[0] = 1
- mat_set_name[0] = "Material Set 1" (or whatever name desired)
-
- In USERD_get_number_of_materials, input would be set_index = 0, and
- would need to set:
- Num_materials[0] = 2
-
- For simplicity, the ids and descriptions that would be returned in
- USERD_get_matf_var_info could be:
- mat_ids[0] = 1
- mat_ids[1] = 9
- mat_desc[0] = "mat 1" (or whatever desired)
- mat_desc[2] = "mat 9"
-
- The per element material ids list would need to be:
-
- material ids:
- -------------
- ids_list[0] = 1 (material id 1, for elem e1)
- ids_list[1] = 1 ( " e2)
- ids_list[2] = 1 ( " e3)
- ids_list[3] = -1 (negative of index into mixed-material id list, for elem e4)
- ids_list[5] = 1 (material id 1, for elem e5)
- ids_list[5] = 1 ( " e6)
- ids_list[5] = -5 (negative of index into mixed-material id list, for elem e7)
- ids_list[5] = -9 ( " e8)
- ids_list[5] = 1 (material id 1, for elem e9)
-
- Finally we need the mixed material ids list and the mixed materials values list,
- which would need to be:
-
- mixed-material ids:
- -------------------
- ==> 1 ids_list[0] = 2 (the -1 in the material variable points here,
- 2 indicates that two materials are present)
- 2 ids_list[1] = 1 (1st material is 1)
- 3 ids_list[2] = 9 (2nd material is 9)
- 4 ids_list[3] = -1 (negative of index into mixed-material val_list)
- ==> 5 ids_list[4] = 2 (the -5 in the material variable points here,
- 2 indicates that two materials are present)
- 6 ids_list[5] = 1 (1st material is 1)
- 7 ids_list[6] = 9 (2nd material is 9)
- 8 ids_list[7] = -3 (negative of index into mixed-material val_list)
- ==> 9 ids_list[8] = 2 etc.
- 10 ids_list[9] = 1
- 11 ids_list[10] = 9
- 12 ids_list[11] = -5
-
- mixed-material values:
- ----------------------
- ==> 1 val_list[0] = 0.875 (the -1 in the mixed-material ids_list points here,
- and this is the value for material 1)
- 2 val_list[1] = 0.125 (the value for material 9)
- ==> 3 val_list[2] = 0.125 (the -3 in the mixed-materials ids_list points here)
- 4 val_list[3] = 0.875
- ==> 5 val_list[4] = 0.875 (the -5 in the mixed-materials ids_list points here)
- 6 val_list[5] = 0.125
-
- So, USERD_size_matf_data would need to return
- matf_size = 8, when called with set_id = 1
- part_id = 1
- wtyp = Z_QUA04
- mat_type = Z_MAT_INDEX
-
- matf_size = 12, when called with set_id = 1
- part_id = 1
- mat_type = Z_MIX_INDEX
-
- = 6, when called with set_id = 1
- part_id = 1
- mat_type = Z_MIX_VALUE
-
- And, USERD_load_matf_data would need to return:
- the int array ids_list as shown above when called with:
- set_id = 1
- part_id = 1
- wtyp = Z_QUA04
- mat_type = Z_MAT_INDEX (indicating id list).
-
- the int array ids_list as shown above when called with:
- set_id = 1
- part_id = 1
- mat_type = Z_MIX_INDEX (indicating id list).
-
- the float array val_list as shown above when called with:
- set_id = 1
- part_id = 1
- mat_type = Z_MIX_VALUE (indicating val list).
-
-
-
--------------------------------------------------------------------------
-USERD_get_matf_set_info
-
- Description:
- -----------
- Get the material set ids and names
-
- Specification:
- -------------
- int USERD_get_matf_set_info(int *mat_set_ids,
- char **mat_set_name)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) mat_set_ids = 1D material set ids array
-
- (Array will have been allocated
- Num_material_sets long)
-
- (OUT) mat_set_name = 2D material set name array
-
- (Array will have been allocated
- Num_material_sets by Z_BUFL long)
-
- Notes:
- -----
- * Will not be called if Num_material_sets is zero
- * See USERD_get_number_of_material_sets header for explanatory example
-
-
--------------------------------------------------------------------------
-USERD_get_number_of_materials
-
- Description:
- -----------
- Gets the number of materials in the material set
-
- Specification:
- -------------
- int USERD_get_number_of_materials( int set_index )
-
- Returns:
- -------
- Num_materials[set_index] = Number of materials in the set
- 0 indicates no materials information present
- -1 indicates an error
- Arguments:
- ---------
- (IN) set_index = the material set index (zero based)
-
- Notes:
- -----
- * See USERD_get_number_of_material_sets header for explanatory example
- * Will not be called if Num_material_sets is zero
- * You may want to keep this as a global for use in other routines.
-
-
---------------------------------------------------------------------
-USERD_get_matf_var_info
-
- Description:
- -----------
- Gets the material ids and descriptions for the material set
-
- Specification:
- -------------
- int USERD_get_matf_var_info(int set_index,
- int *mat_ids,
- char **mat_desc)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) set_index = the material set index (zero based)
-
- (OUT) mat_ids[set_index] = 1D integer array containing the material
- ids to associated with each material
-
- (Array will have been allocated
- Num_materials[set_index] long)
-
- (OUT) mat_desc[set_index] = 2D char array containing the material
- descriptions to associated with each material
-
- (Array will have been allocated
- Num_materials[set_index] by Z_BUFL long)
-
- Notes:
- -----
- * See USERD_get_number_of_material_sets header for explanatory example
- * Will not be called if Num_material_sets is zero, or
- Num_materials[set_index] is zero
-
-
---------------------------------------------------------------------
-USERD_size_matf_data
-
- Description:
- -----------
- Get the length of the material id list, mixed-material id list, or
- mixed-material values list for the given material set and part (and
- element type if material id list)
-
- Specification:
- -------------
- int USERD_size_matf_data( int set_index,
- int part_id,
- int wtyp,
- int mat_type,
- int *matf_size)
-
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) set_index = the material set index (zero based)
-
- (IN) part_id = the part number desired
-
- (IN) wtyp = the element type (used for Z_MAT_INDEX only)
-
- Z_POINT node point element
- Z_BAR02 2 node bar
- Z_BAR03 3 node bar
- Z_TRI03 3 node triangle
- Z_TRI06 6 node triangle
- Z_QUA04 4 node quad
- Z_QUA08 8 node quad
- Z_TET04 4 node tetrahedron
- Z_TET10 10 node tetrahedron
- Z_PYR05 5 node pyramid
- Z_PYR13 13 node pyramid
- Z_PEN06 6 node pentahedron
- Z_PEN15 15 node pentahedron
- Z_HEX08 8 node hexahedron
- Z_HEX20 20 node hexahedron
- Z_NSIDED nsided polygon
- Z_NFACED nfaced polyhedron
-
- Z_G_POINT ghost node point element
- Z_G_BAR02 2 node ghost bar
- Z_G_BAR03 3 node ghost bar
- Z_G_TRI03 3 node ghost triangle
- Z_G_TRI06 6 node ghost triangle
- Z_G_QUA04 4 node ghost quad
- Z_G_QUA08 8 node ghost quad
- Z_G_TET04 4 node ghost tetrahedron
- Z_G_TET10 10 node ghost tetrahedron
- Z_G_PYR05 5 node ghost pyramid
- Z_G_PYR13 13 node ghost pyramid
- Z_G_PEN06 6 node ghost pentahedron
- Z_G_PEN15 15 node ghost pentahedron
- Z_G_HEX08 8 node ghost hexahedron
- Z_G_HEX20 20 node ghost hexahedron
- Z_G_NSIDED ghost nsided polygon
- Z_G_NFACED ghost nfaced polyhedron
-
- (IN) mat_type = Z_MAT_INDEX for material ids list
- Z_MIX_INDEX for mixed-material ids list
- Z_MIX_VALUE for mixed-material values list
-
- (OUT) matf_size = the length of the material id list, or
- mixed-material id list, or
- mixed-material values list
- for the given material set and part number
- (and element type if Z_MAT_INDEX)
-
- Notes:
- -----
- * See USERD_get_number_of_material_sets header for explanatory example
- * Will not be called if Num_material_sets is zero, or
- Num_materials[set_index] is zero
-
-
-----------------------------------------------------------------------
-USERD_load_matf_data
-
- Description:
- -----------
- Get the material id list, mixed-material id list, or
- mixed-material values list for the given material set and part (and
- element type if material id list)
-
- Specification:
- -------------
- int USERD_load_matf_data( int set_index,
- int part_id,
- int wtyp,
- int mat_type,
- int *ids_list,
- float *val_list)
-
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) set_index = the material set index (zero based)
-
- (IN) part_id = the part number desired
-
- (IN) wtyp = the element type (used for Z_MAT_INDEX only)
-
- Z_POINT node point element
- Z_BAR02 2 node bar
- Z_BAR03 3 node bar
- Z_TRI03 3 node triangle
- Z_TRI06 6 node triangle
- Z_QUA04 4 node quad
- Z_QUA08 8 node quad
- Z_TET04 4 node tetrahedron
- Z_TET10 10 node tetrahedron
- Z_PYR05 5 node pyramid
- Z_PYR13 13 node pyramid
- Z_PEN06 6 node pentahedron
- Z_PEN15 15 node pentahedron
- Z_HEX08 8 node hexahedron
- Z_HEX20 20 node hexahedron
- Z_NSIDED nsided polygon
- Z_NFACED nfaced polyhedron
-
- Z_G_POINT ghost node point element
- Z_G_BAR02 2 node ghost bar
- Z_G_BAR03 3 node ghost bar
- Z_G_TRI03 3 node ghost triangle
- Z_G_TRI06 6 node ghost triangle
- Z_G_QUA04 4 node ghost quad
- Z_G_QUA08 8 node ghost quad
- Z_G_TET04 4 node ghost tetrahedron
- Z_G_TET10 10 node ghost tetrahedron
- Z_G_PYR05 5 node ghost pyramid
- Z_G_PYR13 13 node ghost pyramid
- Z_G_PEN06 6 node ghost pentahedron
- Z_G_PEN15 15 node ghost pentahedron
- Z_G_HEX08 8 node ghost hexahedron
- Z_G_HEX20 20 node ghost hexahedron
- Z_G_NSIDED ghost nsided polygon
- Z_G_NFACED ghost nfaced polyhedron
-
- (IN) mat_type = Z_MAT_INDEX for material ids list
- Z_MIX_INDEX for mixed-material ids list
- Z_MIX_VALUE for mixed-material values list
-
- (OUT) ids_list = If mat_type is Z_MAT_INDEX:
- ---------------------------
- 1D material id list
- (Int array will have been allocated
- the appropriate size, as returned in
- USERD_size_matf_data for mat_type Z_MAT_INDEX)
-
- If mat_type is Z_MIX_INDEX:
- ---------------------------
- 1D mixed-material id list
- (Int array will have been allocated
- the appropriate size, as returned in
- USERD_size_matf_data for mat_type Z_MIX_INDEX)
-
- (OUT) val_list = 1D mixed-materials values list
- (only used if mat_type is Z_MIX_VALUE)
-
- (Float array will have been allocated
- the appropriate size, as returned in
- USERD_size_matf_data for mat_type Z_MIX_VALUE)
-
- Notes:
- -----
- * See USERD_get_number_of_material_sets header for explanatory example
- * Will not be called if Num_material_sets is zero,
- or Num_materials[set_index] is zero,
- or the appropriate size from USERD_size_matf_data is zero
-
-
-
---------------------------------------------------------------------
-USERD_get_nsided_conn -
-
- Description:
- -----------
- Gets the array containing the connectivity of nsided elements
-
- Specification:
- -------------
- int USERD_get_nsided_conn(int part_number,
- int *nsided_conn_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) part_number = the part number
-
- (OUT) nsided_conn_array = 1D array of nsided connectivies
-
- (int array will have been allocated long enough
- to hold all the nsided connectivities. Which is
- the sum of all the nodes_per_element values in
- the conn_array of USERD_get_part_elements_by_type)
-
-
- Notes:
- -----
- * Will not be called unless there are some nsided elements in the the part.
-
- * Providing nsided information to Ensight:
-
- 1. In USERD_get_gold_part_build_info, provide the number of nsided
- elements in the part.
-
- 2. In USERD_get_part_elements_by_type, provide (in the conn_array),
- the number of nodes per nsided element. (as if connectivity
- length of an nsided element is one)
-
- 3. In this routine, provide the streamed connectivities for each of the
- nsided elements.
-
-
- Simple example: 5 6
- +--------+
- 3 nsided elements: /| \
- (1 4-sided / | \
- 1 3-sided / | \
- 1 7-sided) / | \ 7
- /3 |4 +
- +-----+ |
- | | |
- | | |8
- | | +
- | | /
- | | /
- | | /
- |1 |2 /9
- +-----+--------+
-
- 1. In USERD_get_gold_part_build_info:
- number_of_elements[Z_NSIDED] = 3
- .
- /|\
- |
- 2. In USERD_get_part_elements_by_type:
- length of conn_array will be: 3 x 1
-
- for element_type of Z_NSIDED:
- conn_array[0][0] = 4 (for the 4-sided element)
- conn_array[1][0] = 3 (for the 3-sided element)
- conn_array[2][0] = 7 (for the 7-sided element)
-
- Sum ===
- 14 <---------+
- |
- 3. In this routine: |
- length of nsided_conn_array will be: 14
-
- nsided_conn_array[0] = 1 (connectivity of 4-sided element)
- nsided_conn_array[1] = 2
- nsided_conn_array[2] = 4
- nsided_conn_array[3] = 3
-
- nsided_conn_array[4] = 3 (connectivity of 3-sided element)
- nsided_conn_array[5] = 4
- nsided_conn_array[6] = 5
-
- nsided_conn_array[7] = 2 (connectivity of 7-sided element)
- nsided_conn_array[8] = 9
- nsided_conn_array[9] = 8
- nsided_conn_array[10] = 7
- nsided_conn_array[11] = 6
- nsided_conn_array[12] = 5
- nsided_conn_array[13] = 4
-
-
-
---------------------------------------------------------------------
-USERD_get_nfaced_nodes_per_face -
-
- Description:
- -----------
- Gets the array containing the number of nodes per face for each face
- of the nfaced elements.
-
- Specification:
- -------------
- int USERD_get_nfaced_nodes_per_face(int part_number,
- int *nfaced_npf_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) part_number = the part number
-
- (OUT) nfaced_npf_array = 1D array of nodes per face for all faces of
- nfaced elements
-
- (int array will have been allocated long enough
- to hold all the nodes_per_face values. Which is
- the sum of all the number of faces per element
- values in the conn_array of
- USERD_get_part_elements_by_type)
-
- Notes:
- -----
- * Will not be called unless there are some nfaced elements in the
- the part
-
- * Providing nfaced information to Ensight:
-
- 1. In USERD_get_gold_part_build_info, provide the number of nfaced
- polyhedral elements in the part.
-
- 2. In USERD_get_part_elements_by_type, provide (in the conn_array),
- the number of faces per nfaced element. (as if connectivity
- length of an nfaced element is one)
-
- 3. In this routine, provide the streamed number of nodes per face
- for each of the faces of the nfaced elements.
-
-
- Simple example: 11 10 12
- +--------+-----+
- 2 nfaced elements: /| |\ /|
- (1 7-faced / | | \ / |
- 1 5-sided) / | | +9 |
- / | | /| |
- /7 | 8 / | |
- +-----------+/ | | |
- | |5 | |4 | |6
- | +-----|--+--|--+
- | / | \ | /
- | / | \|/3
- | / | +
- | / | /
- |/1 |2 /
- +-----------+/
-
- 1. In USERD_get_gold_part_build_info:
- number_of_elements[Z_NFACED] = 2
- .
- /|\
- |
- 2. In USERD_get_part_elements_by_type:
- length of conn_array will be: 2 x 1
- for element_type of Z_NFACED:
- conn_array[0][0] = 7 (for the 7-faced element)
- conn_array[1][0] = 5 (for the 5-faced element)
-
- ==
- Sum 12 <---------+
- |
- 3. In this routine: |
- length of nfaced_npf_array will be: 12
-
- nfaced_npf_array[0] = 5 (5-noded top face of 7-faced element)
- nfaced_npf_array[1] = 5 (5-noded bot face of 7-faced element)
- nfaced_npf_array[2] = 4 (4-noded front face of 7-faced element)
- nfaced_npf_array[3] = 4 (4-noded left face of 7-faced element)
- nfaced_npf_array[4] = 4 (4-noded back face of 7-faced element)
- nfaced_npf_array[5] = 4 (4-noded right front face of 7-faced element)
- nfaced_npf_array[6] = 4 (4-noded right back face of 7-faced element)
-
- nfaced_npf_array[7] = 3 (3-noded top face of 5-faced element)
- nfaced_npf_array[8] = 3 (3-noded bot face of 5-faced element)
- nfaced_npf_array[9] = 4 (4-noded back face of 5-faced element)
- nfaced_npf_array[10] = 4 (4-noded right face of 5-faced element)
- nfaced_npf_array[11] = 4 (4-noded left front face of 5-faced element)
-
- ==
- Sum 48 <-------------+
- |
- 4. In USERD_get_nfaced_conn: |
- length of the nfaced_conn_array will be: 48
-
- nsided_conn_array[0] = 7 (conn of 5-noded top face of 7-faced elem)
- nsided_conn_array[1] = 8
- nsided_conn_array[2] = 9
- nsided_conn_array[3] = 10
- nsided_conn_array[4] = 11
-
- nsided_conn_array[5] = 1 (conn of 5-noded bot face of 7-faced elem)
- nsided_conn_array[6] = 5
- nsided_conn_array[7] = 4
- nsided_conn_array[8] = 3
- nsided_conn_array[9] = 2
-
- nsided_conn_array[10] = 1 (conn of 4-noded front face of 7-faced elem)
- nsided_conn_array[11] = 2
- nsided_conn_array[12] = 8
- nsided_conn_array[13] = 7
-
- nsided_conn_array[14] = 5 (conn of 4-noded left face of 7-faced elem)
- nsided_conn_array[15] = 1
- nsided_conn_array[16] = 7
- nsided_conn_array[17] = 11
-
- nsided_conn_array[18] = 4 (conn of 4-noded back face of 7-faced elem)
- nsided_conn_array[19] = 5
- nsided_conn_array[20] = 11
- nsided_conn_array[21] = 10
-
- nsided_conn_array[22] = 2 (conn of 4-noded right front face of 7-faced)
- nsided_conn_array[23] = 3
- nsided_conn_array[24] = 9
- nsided_conn_array[25] = 8
-
- nsided_conn_array[26] = 3 (conn of 4-noded right back face of 7-faced)
- nsided_conn_array[27] = 4
- nsided_conn_array[28] = 10
- nsided_conn_array[29] = 9
-
- nsided_conn_array[30] = 9 (conn of 3-noded top face of 5-faced elem)
- nsided_conn_array[32] = 12
- nsided_conn_array[32] = 10
-
- nsided_conn_array[33] = 3 (conn of 3-noded bot face of 5-faced elem)
- nsided_conn_array[34] = 4
- nsided_conn_array[35] = 6
-
- nsided_conn_array[36] = 6 (conn of 4-noded back face of 5-faced elem)
- nsided_conn_array[37] = 4
- nsided_conn_array[38] = 10
- nsided_conn_array[39] = 12
-
- nsided_conn_array[40] = 3 (conn of 4-noded right face of 5-faced elem)
- nsided_conn_array[41] = 6
- nsided_conn_array[42] = 12
- nsided_conn_array[43] = 9
-
- nsided_conn_array[44] = 4 (conn of 4-noded left front face of 5-faced)
- nsided_conn_array[45] = 3
- nsided_conn_array[46] = 9
- nsided_conn_array[47] = 10
-
-
-
---------------------------------------------------------------------
-USERD_get_nfaced_conn
-
- Description:
- -----------
- Gets the array containing the connectivity of nsided faces of nfaced elements
-
- Specification:
- -------------int
- int USERD_get_nfaced_conn(int part_number,
- int *nfaced_conn_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) part_number = the part number
-
- (OUT) nfaced_conn_array = 1D array of nsided face connectivies of nfaced
- elements
-
- (int array will have been allocated long enough to
- hold all the nsided face connectivities. Which is
- the sum of all the nodes per face values in the
- nfaced_npf_array of USERD_get_nfaced_nodes_per_face)
-
- Notes:
- -----
- * Will not be called unless there are some nfaced elements in the part
-
- * Providing nfaced information to Ensight:
-
- 1. In USERD_get_gold_part_build_info, provide the number of nfaced
- polyhedral elements in the part.
-
- 2. In USERD_get_part_elements_by_type, provide (in the conn_array),
- the number of faces per nfaced element. (as if connectivity
- length of an nfaced element is one)
-
- 3. In this routine, provide the streamed number of nodes per face
- for each of the faces of the nfaced elements.
-
-
- Simple example: 11 10 12
- +--------+-----+
- 2 nfaced elements: /| |\ /|
- (1 7-faced / | | \ / |
- 1 5-sided) / | | +9 |
- / | | /| |
- /7 | 8 / | |
- +-----------+/ | | |
- | |5 | |4 | |6
- | +-----|--+--|--+
- | / | \ | /
- | / | \|/3
- | / | +
- | / | /
- |/1 |2 /
- +-----------+/
-
- 1. In USERD_get_gold_part_build_info:
- number_of_elements[Z_NFACED] = 2
- .
- /|\
- |
- 2. In USERD_get_part_elements_by_type:
- length of conn_array will be: 2 x 1
- for element_type of Z_NFACED:
- conn_array[0][0] = 7 (for the 7-faced element)
- conn_array[1][0] = 5 (for the 5-faced element)
-
- ==
- Sum 12 <---------+
- |
- 3. In USERD_get_faced_nodes_per_face: |
- length of nfaced_npf_array will be: 12
-
- nfaced_npf_array[0] = 5 (5-noded top face of 7-faced element)
- nfaced_npf_array[1] = 5 (5-noded bot face of 7-faced element)
- nfaced_npf_array[2] = 4 (4-noded front face of 7-faced element)
- nfaced_npf_array[3] = 4 (4-noded left face of 7-faced element)
- nfaced_npf_array[4] = 4 (4-noded back face of 7-faced element)
- nfaced_npf_array[5] = 4 (4-noded right front face of 7-faced element)
- nfaced_npf_array[6] = 4 (4-noded right back face of 7-faced element)
-
- nfaced_npf_array[7] = 3 (3-noded top face of 5-faced element)
- nfaced_npf_array[8] = 3 (3-noded bot face of 5-faced element)
- nfaced_npf_array[9] = 4 (4-noded back face of 5-faced element)
- nfaced_npf_array[10] = 4 (4-noded right face of 5-faced element)
- nfaced_npf_array[11] = 4 (4-noded left front face of 5-faced element)
-
- ==
- Sum 48 <-------------+
- |
- 4. In this function: |
- length of the nfaced_conn_array will be: 48
-
- nsided_conn_array[0] = 7 (conn of 5-noded top face of 7-faced elem)
- nsided_conn_array[1] = 8
- nsided_conn_array[2] = 9
- nsided_conn_array[3] = 10
- nsided_conn_array[4] = 11
-
- nsided_conn_array[5] = 1 (conn of 5-noded bot face of 7-faced elem)
- nsided_conn_array[6] = 5
- nsided_conn_array[7] = 4
- nsided_conn_array[8] = 3
- nsided_conn_array[9] = 2
-
- nsided_conn_array[10] = 1 (conn of 4-noded front face of 7-faced elem)
- nsided_conn_array[11] = 2
- nsided_conn_array[12] = 8
- nsided_conn_array[13] = 7
-
- nsided_conn_array[14] = 5 (conn of 4-noded left face of 7-faced elem)
- nsided_conn_array[15] = 1
- nsided_conn_array[16] = 7
- nsided_conn_array[17] = 11
-
- nsided_conn_array[18] = 4 (conn of 4-noded back face of 7-faced elem)
- nsided_conn_array[19] = 5
- nsided_conn_array[20] = 11
- nsided_conn_array[21] = 10
-
- nsided_conn_array[22] = 2 (conn of 4-noded right front face of 7-faced)
- nsided_conn_array[23] = 3
- nsided_conn_array[24] = 9
- nsided_conn_array[25] = 8
-
- nsided_conn_array[26] = 3 (conn of 4-noded right back face of 7-faced)
- nsided_conn_array[27] = 4
- nsided_conn_array[28] = 10
- nsided_conn_array[29] = 9
-
- nsided_conn_array[30] = 9 (conn of 3-noded top face of 5-faced elem)
- nsided_conn_array[32] = 12
- nsided_conn_array[32] = 10
-
- nsided_conn_array[33] = 3 (conn of 3-noded bot face of 5-faced elem)
- nsided_conn_array[34] = 4
- nsided_conn_array[35] = 6
-
- nsided_conn_array[36] = 6 (conn of 4-noded back face of 5-faced elem)
- nsided_conn_array[37] = 4
- nsided_conn_array[38] = 10
- nsided_conn_array[39] = 12
-
- nsided_conn_array[40] = 3 (conn of 4-noded right face of 5-faced elem)
- nsided_conn_array[41] = 6
- nsided_conn_array[42] = 12
- nsided_conn_array[43] = 9
-
- nsided_conn_array[44] = 4 (conn of 4-noded left front face of 5-faced)
- nsided_conn_array[45] = 3
- nsided_conn_array[46] = 9
- nsided_conn_array[47] = 10
-
-
-________________________
-------------------------
-Modified Library Routine
-________________________
-------------------------
-
---------------------------------------------------------------------
-USERD_get_gold_part_build_info
-
- Description:
- -----------
- Gets the info needed for part building process
-
- Specification:
- -------------
- int
- USERD_get_gold_part_build_info(int *part_id,
- int *part_types,
- char *part_description[Z_BUFL],
- int *number_of_nodes,
- int *number_of_elements[Z_MAXTYPE],
- int *ijk_dimensions[9],
- int *iblanking_options[6])
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) part_id = Array containing the external part
- ids for each of the model parts.
-
- IMPORTANT:
- Parts numbers must be >= 1, because
- of the way they are used in the GUI
-
- *******************************************
- The ids provided here are the numbers by
- which the parts will be referred to in the
- GUI (if possible). They are basically
- labels as far as you are concerned.
-
- Note: The part numbers you pass to routines
- which receive a part_number or block_number
- or which_part as an argument are the 1-based
- table index of the parts!
-
- example: If Numparts_available = 3
-
- Table index part_id
- ----------- -------
- 1 13
- 2 57
- 3 125
-
- ^ ^
- | |
- | These are placed in:
- | part_id[0] = 13
- | part_id[1] = 57
- | part_id[2] = 125
- | for GUI labeling purposes.
- |
- These implied table indices are the part_number,
- block_number, or which_part numbers that you would
- pass to routines like:
-
- USERD_get_part_coords(int part_number,...
- USERD_get_part_node_ids(int part_number,...
- USERD_get_part_elements_by_type(int part_number,...
- USERD_get_part_element_ids_by_type(int part_number,...
- USERD_get_block_coords_by_component(int block_number,...
- USERD_get_block_iblanking(int block_number,...
- USERD_get_block_ghost_flags(int block_number,...
- USERD_get_ghosts_in_block_flag(int block_number)
- USERD_get_border_availability( int part_number,...
- USERD_get_border_elements_by_type( int part_number,...
- USERD_get_var_by_component(int which_variable,
- int which_part,...
- USERD_get_var_value_at_specific(int which_var,
- int which_node_or_elem,
- int which_part,...
- ********************************************
-
- (Array will have been allocated
- Numparts_available long)
-
- (OUT) part_types = Array containing one of the
- following for each model part:
-
- Z_UNSTRUCTURED or
- Z_STRUCTURED or
- Z_IBLANKED
-
- (Array will have been allocated
- Numparts_available long)
-
- (OUT) part_description = Array containing a description
- for each of the model parts
-
- (Array will have been allocated
- Numparts_available by Z_BUFL
- long)
-
- (OUT) number_of_nodes = Number of unstructured nodes in the part
-
- (Array will have been allocated
- Numparts_available long)
-
- (OUT) number_of_elements = 2D array containing number of
- each type of element for each
- unstructured model part.
- ------------
- Possible types are:
-
- Z_POINT = point
- Z_BAR02 = 2-noded bar
- Z_BAR03 = 3-noded bar
- Z_TRI03 = 3-noded triangle
- Z_TRI06 = 6-noded triangle
- Z_QUA04 = 4-noded quadrilateral
- Z_QUA08 = 8-noded quadrilateral
- Z_TET04 = 4-noded tetrahedron
- Z_TET10 = 10-noded tetrahedron
- Z_PYR05 = 5-noded pyramid
- Z_PYR13 = 13-noded pyramid
- Z_PEN06 = 6-noded pentahedron
- Z_PEN15 = 15-noded pentahedron
- Z_HEX08 = 8-noded hexahedron
- Z_HEX20 = 20-noded hexahedron
-
- Starting at API 2.01:
- ====================
- Z_G_POINT ghost node point element
- Z_G_BAR02 2 node ghost bar
- Z_G_BAR03 3 node ghost bar
- Z_G_TRI03 3 node ghost triangle
- Z_G_TRI06 6 node ghost triangle
- Z_G_QUA04 4 node ghost quad
- Z_G_QUA08 8 node ghost quad
- Z_G_TET04 4 node ghost tetrahedron
- Z_G_TET10 10 node ghost tetrahedron
- Z_G_PYR05 5 node ghost pyramid
- Z_G_PYR13 13 node ghost pyramid
- Z_G_PEN06 6 node ghost pentahedron
- Z_G_PEN15 15 node ghost pentahedron
- Z_G_HEX08 8 node ghost hexahedron
- Z_G_HEX20 20 node ghost hexahedron
-
- Starting at API 2.02:
- ====================
- Z_NSIDED n node nsided polygon
- Z_NFACED n face nfaced polyhedron
- Z_G_NSIDED n node ghost nsided polygon
- Z_G_NFACED n face ghost nfaced polyhedron
-
- (Ignored unless Z_UNSTRUCTURED type)
-
- (Array will have been allocated
- Numparts_available by
- Z_MAXTYPE long)
-
- (OUT) ijk_dimensions = 2D array containing ijk dimension info
- for structured blocks
-
- For Z_UNSTRUCTURED - is ignored
-
- For Z_STRUCTURED or Z_IBLANKED
-
- Prior to version 2.03:
- ----------------------
- (Array will have been allocated
- Numparts_available by 3 long)
-
- ijk_dimensions[][0] = I dimension
- ijk_dimensions[][1] = J dimension
- ijk_dimensions[][2] = K dimension
-
-
- Starting at version 2.03:
- ------------------------
- (Array will have been allocated
- Numparts_available by 9 long)
-
- There are two ways to do this:
- ------------------------------
- 1. The simple one, without ranges.
-
- This is good for all structured models
- that will NOT be used in EnSight's
- Server of Servers
-
- Simply provide the ijk dimensions in the
- first three slots and place a -1 in
- the 4th slot. (The remaining slots will
- be ignored).
-
- Thus,
- ijk_dimensions[][0] = I dimension of block
- ijk_dimensions[][1] = J dimension of block
- ijk_dimensions[][2] = K dimension of block
- ijk_dimensions[][3] = -1
-
- (J planes)
- 4 *-------*-------*
- | | | ijk_dimension[0][0] = 3
- | | | ijk_dimension[0][1] = 4
- | | | ijk_dimension[0][2] = 1
- 3 *-------*-------*
- | | | ijk_dimension[0][4] = -1
- | | |
- | | |
- 2 *-------*-------*
- | | |
- | | |
- | | |
- 1 *-------*-------*
- 1 2 3 (I planes)
-
-
-
- 2. Using ranges.
-
- This one can be used anytime, but MUST
- be used if EnSight's Server of Servers
- is to be used!
-
- The first 3 slots contain the ijk dimension
- of the complete block (of which this may be
- a portion). The last 6 slots contain the
- ijk min and max ranges within the complete.
-
- Thus,
- ijk_dimensions[][0] = I dim of complete block
- ijk_dimensions[][1] = J dim of complete block
- ijk_dimensions[][2] = K dim of complete block
-
- ijk_dimensions[][3] = Imin of portion (1-based)
- ijk_dimensions[][4] = Imax of portion (1-based)
- ijk_dimensions[][5] = Jmin of portion (1-based)
- ijk_dimensions[][6] = Jmax of portion (1-based)
- ijk_dimensions[][7] = Kmin of portion (1-based)
- ijk_dimensions[][8] = Kmax of portion (1-based)
-
-
- example1: (Model has one part, a simple 2D block,
- and want whole thing)
-
- (J planes)
- 4 *-------*-------*
- | | | ijk_dimension[0][0] = 3
- | | | ijk_dimension[0][1] = 4
- | | | ijk_dimension[0][2] = 1
- 3 *-------*-------*
- | | | ijk_dimension[0][3] = 1
- | | | ijk_dimension[0][4] = 3
- | | | ijk_dimension[0][5] = 1
- 2 *-------*-------* ijk_dimension[0][6] = 4
- | | | ijk_dimension[0][7] = 1
- | | | ijk_dimension[0][8] = 1
- | | |
- 1 *-------*-------*
- 1 2 3 (I planes)
-
-
- example2: (Want to have the block represented
- in two portions - 2 parts)
-
- (J planes) top portion
- 4 *-------*-------*
- | | | ijk_dimension[0][0] = 3
- | | | ijk_dimension[0][1] = 4
- | | | ijk_dimension[0][2] = 1
- 3 *-------*-------*
- . . . ijk_dimension[0][3] = 1
- . . . ijk_dimension[0][4] = 3
- . . . ijk_dimension[0][5] = 3
- 2 ................. ijk_dimension[0][6] = 4
- . . . ijk_dimension[0][7] = 1
- . . . ijk_dimension[0][8] = 1
- . . .
- 1 .................
- 1 2 3 (I planes)
-
-
- (J planes) bottom portion
- 4 .................
- . . . ijk_dimension[1][0] = 3
- . . . ijk_dimension[2][1] = 4
- . . . ijk_dimension[3][2] = 1
- 3 *-------*-------*
- | | | ijk_dimension[1][3] = 1
- | | | ijk_dimension[1][4] = 3
- | | | ijk_dimension[1][5] = 1
- 2 *-------*-------* ijk_dimension[1][6] = 3
- | | | ijk_dimension[1][7] = 1
- | | | ijk_dimension[1][8] = 1
- | | |
- 1 *-------*-------*
- 1 2 3 (I planes)
-
-
- And note that if you were partioning this block for
- EnSight's Server of Servers, you would only have one part,
- instead of two. Each SOS server would return its appropriate
- ranges in the last 6 slots. The first 3 slots would remain constant.
-
-
- (OUT) iblanking_options = 2D array containing iblanking
- options possible for each
- structured model part.
- ----------
- (Ignored unless Z_IBLANKED type)
-
- (Array will have been allocated
- Numparts_available by 6 long)
-
- iblanking_options[][Z_EXT] = TRUE if external (outside)
- [][Z_INT] = TRUE if internal (inside)
- [][Z_BND] = TRUE if boundary
- [][Z_INTBND] = TRUE if internal boundary
- [][Z_SYM] = TRUE if symmetry surface
-
-
- Notes:
- -----
- If you haven't built a table of pointers to the different parts,
- you might want to do so here as you gather the needed info.
-
- This will be based on Current_time_step
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/README_USERD_1.0 b/applications/utilities/postProcessing/graphics/ensightFoamReader/README_USERD_1.0
deleted file mode 100644
index 6453be2..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/README_USERD_1.0
+++ /dev/null
@@ -1,2013 +0,0 @@
-README_USERD_1.0
-================
---------------------------------------
-EnSight User Defined Reader Capability ===> (API 1.0)
---------------------------------------
-A user defined reader capability is included in EnSight which can allow
-otherwise unsupported structured or unstructured data to be read. The user
-defined reader capability utilizes dynamic shared libraries composed of
-routines defined in this document but produced by you, the user, (or some
-third party). This capability is currently available for dec, ibm, hp, sgi,
-sun, linux, alpha linux, and NT servers.
-
-Two versions of this API are available starting with EnSight Version 7.2. The
-1.0 API (which was designed to be friendly to those producing it, but requires
-more manipulation internally by EnSight) may be a little easier to
-produce, but requires more memory and processing time. The 2.0 API is
-considerably more efficient, and was designed more with that in mind. It
-requires that all data be provided on a part basis.
-
-If you already have a working 1.0 API reader and are happy with it - there is
-probably no reason to modify it to the 2.0 API unless:
- - you deal with large models and the memory use and load times are a
- problem or
- - you need tensor variable support or
- - you need complex variable support or
- - you need multiple timeset capability or
- _ you want to provide your own "border" elements (as opposed to EnSight's
- computation of them).
-
-If you are producing a new reader, you should consider which will work best
-for your needs.
-
-
-API 1.0 (defined in this README_USERD_1.0 document)
-=======
-The original user defined reader API (used with EnSight Versions 6 through
-7.1) will continue to be supported. (Note that there was a change in the way
-that the libraries were made at version 7.1 of EnSight, but underlying code
-was kept the same.) Thus, any readers that work with EnSight 7.1, should still
-function with EnSight 7.2.
-
-
-API 2.0 (defined in README_USERD_2.0 document)
-=======
-This new API has been defined to be more efficient and includes access to new
-capabilities of EnSight 7.2. It lends itself closely to the EnSight "gold"
-type format.
-
-Some of its advantages are::
-
- * Most intermediate temporary arrays have been eliminated, such that the user
- defined routines write directly into internal part structures. This is a
- considerable improvement in memory use, and improves speed as well since
- far less memory need be allocated, initialized, etc.
-
- * Parts are self contained. Coordinates, connectivity and all variables are
- provided on a part basis. This eliminates the need for several global to
- local coordinate mapping operations and the need for node id connectivity
- hashing. This can greatly improve the speed at which models are loaded.
-
- * Model extents can be provided directly, such that EnSight need not read
- all the coordinate data at load time.
-
- * Tensor variables are supported
-
- * Complex variables are supported
-
- * A routine is provided as EnSight exits, so cleanup operations such as
- removing temporary files can be easily accomplished.
-
- * Geometry and variables can be provided on different time lines.
-
- * If your data format already provides boundary shell information, you can
- use it instead of the "border" representation that EnSight would compute.
-
-Further discussion on the philosophical differences between the two API's and
-an efficiency comparison example can be found in the README_1.0_to_2.0 file.
-This file also contains guidance on necessary changes to modify an existing
-1.0 API to the new 2.0 API.
-
-
-****************************************************************************
-Note: Several (1.0 API) user defined readers have been included with your
- EnSight release and are configured by default. There are site- and
- user-configurable options outlined in step 3 below. Please be aware
- that these are "unsupported" readers, but many of them are being used
- successfully.
-****************************************************************************
-
-
-The process for producing a user defined reader is:
----------------------------------------------------
-1. Write code for all pertinent routines in the library (Unless someone else
- has done this for you).
-
- This is of course where the work is done by the user. The word
- "pertinent" is used because depending on the nature of the data, some
- of the routines in the library may be dummy routines.
-
- The source code for a dummy library and for various other working or
- sample libraries is copied from the installation CD during
- installation. These will be located in directories under:
-
- $ENSIGHT7_HOME/user_defined_src/readers
-
- examples of API 1.0:
- -------------------
- Basic dummy routines provide skeleton for a new reader
- $ENSIGHT7_HOME/user_defined_src/readers/dummy
-
- Sample library which reads unstructured binary EnSight6 data
- $ENSIGHT7_HOME/user_defined_src/readers/ensight6
-
- Sample library which reads binary static plot3d data
- $ENSIGHT7_HOME/user_defined_src/readers/plot3d
-
- Reads binary LS-DYNA3D state database
- $ENSIGHT7_HOME/user_defined_src/readers/ls-dyna3d
-
- Reads FORTRAN binary Unstructured dytran data base
- $ENSIGHT7_HOME/user_defined_src/readers/dytran
-
- Reads FlowScience "flsgrf" flow3d data
- $ENSIGHT7_HOME/user_defined_src/readers/flow3d
-
- Reads Tecplot "plt" files
- $ENSIGHT7_HOME/user_defined_src/readers/tecplot
-
- Reads Common File Format data
- $ENSIGHT7_HOME/user_defined_src/readers/cff
-
- Reads Cobalt grid and picture/restart file data
- $ENSIGHT7_HOME/user_defined_src/readers/cobalt
-
- Reads binary Nastran OP2 data base
- $ENSIGHT7_HOME/user_defined_src/readers/nastran
-
- Reads binary and ascii cfx data
- $ENSIGHT7_HOME/user_defined_src/readers/cfx4
-
- Reads Exodus II data base
- $ENSIGHT7_HOME/user_defined_src/readers/exodus
-
- Reads Parallel Exodus data base
- $ENSIGHT7_HOME/user_defined_src/readers/pxi
-
- Reads FORTRAN binary SCRYU data
- $ENSIGHT7_HOME/user_defined_src/readers/scryu
-
- Reads binary and ascii STL data
- $ENSIGHT7_HOME/user_defined_src/readers/stl
-
- Reads Vectis data
- $ENSIGHT7_HOME/user_defined_src/readers/vectis
-
- You may find it useful to place your library source in this area as
- well, but are not limited to this location.
-
- * ===> The descriptions of each library routine and the order that the
- routines are called, which is provided in this file, along with
- the example libraries, should make it possible for you to produce
- code for your own data reader.
-
-
-2. Produce the dynamic shared library.
-
- This is a compiling and loading process which varies according to
- the type of machine you are on. In the user-defined-reader source
- tree we have tried to isolate the machine dependent parts of the
- build process using a set of files in the 'config' directory. In this
- directory there is a configuration file for each platform on which
- EnSight is supported. Before you can compile the installed readers
- you should run the script called 'init' in the config directory.
-
- i.e. (for UNIX)
- cd config
- ./init sgi_6.5_n64
- cd ..
- make
-
- If you are compiling for Windows NT, there are two options. If you
- have the Cygwin GNU utilities installed, you can use GNU make as for
- Unix. Otherwise, there is a script called makeall.cmd which will
- build all of the readers using nmake. The Makefiles in each reader
- directory will work using either make or nmake.
-
- i.e. (WIN32 Cygwin) (using nmake)
- cd config cd config
- sh init win32 cp win32 config
- cd .. cd ..
- mkdir lib
- make makeall.cmd
-
- If you have platform-specific portions of code in your reader, the
- build system defines a set of flags which can be used within
- #ifdef ... #endif regions in your source, as shown in the table
- below.
-
- Because the readers are now dynamically opened by EnSight, you may
- have to include dependent libraries on your link-line to avoid having
- unresolved symbols. If you are having problems with a reader, start
- ensight as "ensight7 -readerdbg" and you will get feedback on any
- problems encountered in loading a reader. If there are unresolved
- symbols, you need to find the library which contains the missing
- symbols and link it into your reader by adding it to the example
- link commands below.
-
- If you choose to use a different build environment for your reader,
- you should take care to use compatible compilation flags to ensure
- compatibilty with the EnSight executables, most notably on the SGI
- and HP-UX 11.0 platforms, which should use the following flags:
-
- sgi_6.2_o32: -mips2
- sgi_6.2_n64: -mips4 -64
- sgi_6.5_n32: -mips3
- sgi_6.5_n64: -mips4 -64
- hp_11.0_32: +DA2.0
- hp_11.0_64: +DA2.0W
-
- ______________________________________________________________________
- | MACHINE | OS flag | SHARED LIBRARY NAME PRODUCED |
- | TYPE |------------------------------------------------------------|
- | | LD COMMAND USED IN MAKEFILE |
- ======================================================================
- ______________________________________________________________________
- | sgi | -DSGI | libuserd-X.so |
- | |------------------------------------------------------------|
- | | ld -shared -all -o libuserd-X.so libuserd-X.o |
- ----------------------------------------------------------------------
- ______________________________________________________________________
- | hp | -DHP | libuserd-X.sl |
- | |------------------------------------------------------------|
- | | ld -b -o libuserd-X.sl libuserd-X.o |
- ----------------------------------------------------------------------
- ______________________________________________________________________
- | sun | -DSUN | libuserd-X.so |
- | |------------------------------------------------------------|
- | | ld -G -o libuserd-X.so libuserd-X.o |
- ----------------------------------------------------------------------
- ______________________________________________________________________
- | dec | -DDEC | libuserd-X.so |
- | |------------------------------------------------------------|
- | | ld -shared -all -o libuserd-X.so libuserd-X.o -lc |
- ----------------------------------------------------------------------
- ______________________________________________________________________
- | linux | -DLINUX | libuserd-X.so |
- | |------------------------------------------------------------|
- | | ld -shared -o libuserd-X.so libuserd-X.o -lc |
- ----------------------------------------------------------------------
- ______________________________________________________________________
- | alpha | -DALINUX | libuserd-X.so |
- | linux |------------------------------------------------------------|
- | | ld -shared -o libuserd-X.so libuserd-X.o -lc |
- ----------------------------------------------------------------------
- ______________________________________________________________________
- | ibm | -DIBM | libuserd-X.so |
- | |------------------------------------------------------------|
- | | ld -G -o libuserd-X.so libuserd-X.o -bnoentry -bexpall -lc |
- ----------------------------------------------------------------------
-
- Once you have created your library, you should place it in a directory
- of your choice or in the standard reader location:
-
- $ENSIGHT7_HOME/machines/$ENSIGHT7_ARCH/lib_readers
-
- For example, if you created a reader for "mydata", you should create
- the reader libuserd-mydata.so and place the file in your own reader
- directory (see section 3 below) or in the standard location:
-
- $ENSIGHT7_HOME/machines/$ENSIGHT7_ARCH/lib_readers/libuserd-mydata.so
-
-
-3. By default EnSight will load all readers found in the directory:
-
- $ENSIGHT7_HOME/machines/$ENSIGHT7_ARCH/lib_readers
-
- Files with names "libuserd-X.so" (where X is a name unique to the reader)
- are assumed to be user-defined readers.
-
- There are two methods which can be used to supplement the default
- behavior.
-
- (1) A feature which is useful for site-level or user-level configuration
- is the optional environment variable $ENSIGHT7_READER. This
- variable directs EnSight to load all readers in the specified reader
- directory (you should probably specify a full path) before loading
- the built-in readers. If the same reader exists in both directories
- (as determined by the name returned by USERD_get_name_of_reader(),
- NOT by the filename), the locally configured reader will take
- precedence.
-
- (2) A useful feature for end-users is the use of the libuserd-devel
- reader. EnSight will search for a reader named libuserd-devel.so
- (.sl for HP or .dll for NT). This reader can exist anywhere in the
- library path (see below) of the user. This is useful for an
- individual actively developing a reader because the existence of a
- libuserd-devel library will take precedence over any other library
- which returns the same name from USERD_get_name_of_reader().
-
- As an example, a site may install commonly used readers in a common
- location, and users can set the ENSIGHT7_READER variable to access them:
-
- setenv ENSIGHT7_READER /usr/local/lib/e7readers
-
- A user working on a new reader may compile the reader and place it in
- a directory specified by the library path:
-
- cp libuserd-myreader.so ~/lib/libuserd-devel.so
- setenv <librarypath> ~/lib:$<librarypath>
-
- The user is responsible for correctly configuring the library path
- variable in order to make use of the libuserd-devel feature. The
- library environment variables used are:
-
- Machine type Environment variable to set
- ------------ ---------------------------
- sgi LD_LIBRARY_PATH
- dec LD_LIBRARY_PATH
- sun LD_LIBRARY_PATH
- linux LD_LIBRARY_PATH
- alpha linux LD_LIBRARY_PATH
- hp SHLIB_PATH
- ibm LIBPATH
-
-As always, EnSight support is available if you need it.
-
-
-
--------------------------------
-Quick Index of Library Routines
--------------------------------
-
-Generally Needed for UNSTRUCTURED data
---------------------------------------
-USERD_get_number_of_global_nodes number of global nodes
-USERD_get_global_coords global node coordinates
-USERD_get_global_node_ids global node ids
-USERD_get_element_connectivities_for_part part's element connectivites
-USERD_get_element_ids_for_part part's element ids
-USERD_get_scalar_values global scalar variables
-USERD_get_vector_values global vector variables
-
-
-Generally Needed for BLOCK data
------------------------------------------
-USERD_get_block_coords_by_component block coordinates
-USERD_get_block_iblanking block iblanking values
-USERD_get_block_scalar_values block scalar variables
-USERD_get_block_vector_values_by_component block vector variables
-
-
-Generally needed for either or both kinds of data
--------------------------------------------------
-USERD_set_filenames filenames entered in GUI
-USERD_set_time_step current time step
-
-USERD_get_name_of_reader name of reader for GUI
-USERD_get_number_of_files_in_dataset number of files in model
-USERD_get_dataset_query_file_info info about each model file
-USERD_get_changing_geometry_status changing geometry?
-USERD_get_node_label_status node labels?
-USERD_get_element_label_status element labels?
-USERD_get_number_of_time_steps number of time steps
-USERD_get_solution_times solution time values
-USERD_get_description_lines file associated descrip lines
-USERD_get_number_of_variables number of variables
-USERD_get_variable_info variable type/descrip etc.
-USERD_get_constant_value constant variable's value
-USERD_get_number_of_model_parts number of model parts
-USERD_get_part_build_info part type/descrip etc.
-USERD_get_variable_value_at_specific node's or element's variable
- value over time
-
-USERD_stop_part_building cleanup routine
-USERD_bkup archive routine
-
-
--------------------------
-Order Routines are called
--------------------------
-
-The various main operations are given basically in the order they will
-be performed. Within each operation, the order the routines will be
-called is given.
-
-1. Setting name in the gui, and specifying one or two input fields
-
- USERD_get_name_of_reader
-
-2. Setting filenames and getting time info
- USERD_set_filenames
- USERD_get_number_of_time_steps
- USERD_get_solution_times
- USERD_set_time_step
-
-3. Gathering info for part builder
-
- USERD_set_time_step
- USERD_get_changing_geometry_status
- USERD_get_node_label_status
- USERD_get_element_label_status
- USERD_get_number_of_files_in_dataset
- USERD_get_dataset_query_file_info
- USERD_get_description_lines (for geometry)
- USERD_get_number_of_model_parts
- USERD_get_part_build_info
- USERD_get_number_global_nodes
- USERD_get_global_coords (for model extents)
- USERD_get_block_coords_by_component (for model extents)
-
-4. Gathering Variable info
-
- USERD_get_number_of_variables
- USERD_get_variable_info
-
-5. Part building (per part created)
-
- USERD_set_time_step
- USERD_get_global_coords
- USERD_get_global_node_ids
- USERD_get_element_connectivities_for_part
- USERD_get_element_ids_for_part
- USERD_get_block_iblanking
- USERD_get_block_coords_by_component
-
- USERD_stop_part_building (only once when part builder
- dialog is closed)
-
-6. Loading Variables
-
- constants:
- ---------
- USERD_set_time_step
- USERD_get_constant_value
-
- scalars:
- -------
- USERD_get_description_lines
- USERD_set_time_step
- USERD_get_scalar_values
- USERD_get_block_scalar_values
-
- vectors:
- -------
- USERD_get_description_lines
- USERD_set_time_step
- USERD_get_vector_values
- USERD_get_block_vector_values_by_component
-
-7. Changing geometry
-
- changing coords only:
- --------------------
- USERD_set_time_step
- USERD_get_global_coords
- USERD_get_block_coords_by_component
-
- changing connectivity:
- ---------------------
- USERD_set_time_step
- USERD_get_number_of_model_parts
- USERD_get_part_build_info
- USERD_get_number_global_nodes
- USERD_get_global_coords
- USERD_get_global_node_ids
- USERD_get_element_connectivities_for_part
- USERD_get_element_ids_for_part
- USERD_get_block_iblanking
- USERD_get_block_coords_by_component
-
-8. Node or Element queries over time
-
- USERD_get_variable_value_at_specific
-
-
------------------------
-Detailed Specifications
------------------------
-
-Include files:
---------------
-The following header file is required in any file containing these library
-routines.
-
- #include "global_extern.h"
-
-
-Basis of arrays:
----------------
-Unless explicitly stated otherwise, all arrays are zero based - in true C
-fashion.
-
-
-Global variables:
-----------------
-You will generally need to have a few global variables which are shared by
-the various library routines. The detailed specifications below have assumed
-the following are available. (Their names describe their purpose, and they
-will be used in helping describe the details of the routines below).
-
-static int Numparts_available = 0;
-static int Num_unstructured_parts = 0;
-static int Num_structured_blocks = 0;
-
-/* Note: Numparts_available = Num_unstructured_parts + Num_structured_blocks */
-
-static int Num_time_steps = 1;
-static int Num_global_nodes = 0;
-static int Num_variables = 0;
-static int Num_dataset_files = 0;
-static int Current_time_step = 0;
-
-
-
-
-
-_________________________________________
------------------------------------------
-Library Routines (in alphabetical order):
-_________________________________________
------------------------------------------
-
---------------------------------------------------------------------
-USERD_bkup
-
- Description:
- -----------
- This routine is called during the EnSight archive process. You can
- use it to save or restore info relating to your user defined reader.
-
- Specification:
- -------------
- int USERD_bkup(FILE *archive_file,
- int backup_type)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) archive_file = The archive file pointer
-
- (IN) backup_type = Z_SAVE_ARCHIVE for saving archive
- Z_REST_ARCHIVE for restoring archive
-
- Notes:
- -----
- * Since EnSight's archive file is saved in binary form, you should
- also do any writing to it or reading from it in binary.
-
- * You should archive any variables, which will be needed for
- future operations, that will not be read or computed again
- before they will be needed. These are typically global
- variables.
-
- * Make sure that the number of bytes that you write on a save and
- the number of bytes that you read on a restore are identical!!
-
- * If any of the variables you save are allocated arrays, you must
- do the allocations before restoring into them.
-
-
-
---------------------------------------------------------------------
-USERD_get_block_coords_by_component
-
- Description:
- -----------
- Get the coordinates of a given structured block, a component at a time.
-
- Specification:
- -------------
- int USERD_get_block_coords_by_component(int block_number,
- int which_component,
- float *coord_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) block_number = The block part number
-
- (IN) which_component = Z_COMPX if x component wanted
- = Z_COMPY if y component wanted
- = Z_COMPZ if z component wanted
-
- (OUT) coord_array = 1D array containing x,y, or z
- coordinate component of each node
-
- (Array will have been allocated
- i*j*k for the block long)
-
- Notes:
- -----
- * Not called unless Num_structured_blocks is > 0
-
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_block_iblanking
-
- Description:
- -----------
- Get the iblanking value at each node of a block (if the block is
- iblanked).
-
- Specification:
- -------------
- int USERD_get_block_iblanking(int block_number,
- int *iblank_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) block_number = The block part number
- (OUT) iblank_array = 1D array containing iblank value
- for each node.
-
- (Array will have been allocated
- i*j*k for the block long)
-
- possible values are: Z_EXT = exterior
- Z_INT = interior
- Z_BND = boundary
- Z_INTBND = internal boundary
- Z_SYM = symmetry plane
-
- Notes:
- -----
- * Not called unless Num_structured_blocks is > 0 and you have
- some iblanked blocks
-
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_block_scalar_values
-
- Description:
- -----------
- if Z_PER_NODE:
- Get the values at each node of a block, for a given scalar variable
-
- or if Z_PER_ELEM:
- Get the values at each element of a block, for a given scalar variable
-
- Specification:
- -------------
- int USERD_get_block_scalar_values(int block_number,
- int which_scalar,
- float *scalar_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) block_number = The block part number
- (IN) which_scalar = The variable number
- (OUT) scalar_array = 1D array containing scalar values
- for each node or element.
-
- Array will have been allocated:
-
- if Z_PER_NODE:
- i*j*k for the block long
-
- if Z_PER_ELEM:
- (i-1)*(i-1)*(k-1) for the block long
-
- Notes:
- -----
- * Not called unless Num_structured_blocks is > 0,
- Num_variables is > 0, and there are some scalar type variables
-
- * The per_node or per_elem classification must be obtainable from the
- variable number (a var_classify array needs to be retained)
-
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_block_vector_values_by_component
-
- Description:
- -----------
- if Z_PER_NODE:
- Get the values at each node of a block, for a given vector
- variable, one component at a time.
-
- or if Z_PER_ELEM:
- Get the values at each element of a block, for a given vector
- variable, one component at a time.
-
-
- Specification:
- -------------
- int USERD_get_block_vector_values_by_component(int block_number,
- int which_vector,
- int which_component,
- float *vector_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) block_number = The block part number
-
- (IN) which_vector = The variable number
-
- (IN) which_component = Z_COMPX if x component wanted
- = Z_COMPY if y component wanted
- = Z_COMPZ if z component wanted
-
- (OUT) vector_array = 1D array containing vector
- component value for each node or element.
-
- Array will have been allocated:
-
- if Z_PER_NODE:
- i*j*k for the block long
-
- if Z_PER_ELEM:
- (i-1)*(i-1)*(k-1) for the block long
-
- Notes:
- -----
- * Not called unless Num_structured_blocks is > 0,
- Num_variables is > 0, and there are some vector type variables
-
- * The per_node or per_elem classification must be obtainable from the
- variable number (a var_classify array needs to be retained)
-
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_changing_geometry_status
-
- Description:
- -----------
- Gets the changing geometry status for the model
-
- Specification:
- -------------
- int USERD_get_changing_geometry_status( void )
-
- Returns:
- -------
- Z_STATIC if geometry does not change
- Z_CHANGE_COORDS if changing coordinates only
- Z_CHANGE_CONN if changing connectivity
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * EnSight does not support changing number of parts. But the
- coords and/or the connectivity of the parts can change.
-
-
-
---------------------------------------------------------------------
-USERD_get_constant_value
-
- Description:
- -----------
- Get the value of a constant at a time step
-
- Specification:
- -------------
- float USERD_get_constant_value(int which_var)
-
- Returns:
- -------
- Value of the requested constant variable
-
- Arguments:
- ---------
- (IN) which_var = The variable number
-
- Notes:
- -----
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_dataset_query_file_info
-
- Description:
- -----------
- Get the information about files in the dataset. Used for the
- dataset query option within EnSight.
-
- Specification:
- -------------
- int USERD_get_dataset_query_file_info(Z_QFILES *qfiles)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) qfiles = Structure containing information about each file
- of the dataset. The Z_QFILES structure is defined
- in the global_extern.h file
-
- (The structure will have been allocated
- Num_dataset_files long, with 10 description
- lines per file).
-
- qfiles[].name = The name of the file
- (Z_MAXFILENP is the dimensioned length
- of the name)
-
- qfiles[].sizeb = The number of bytes in the file
- (Typically obtained with a call to the
- "stat" system routine) (Is a long)
-
- qfiles[].timemod = The time the file was last modified
- (Z_MAXTIMLEN is the dimensioned length
- of this string)
- (Typically obtained with a call to the
- "stat" system routine)
-
- qfiles[].num_d_lines = The number of description lines you
- are providing from the file. Max = 10
-
- qfiles[].f_desc[] = The description line(s) per file,
- qfiles[].num_d_lines of them
- (Z_MAXFILENP is the allocated length of
- each line)
-
- Notes:
- -----
- * If Num_dataset_files is 0, this routine will not be called.
-
-
-
---------------------------------------------------------------------
-USERD_get_description_lines
-
- Description:
- -----------
- Get two description lines associated with geometry per time step,
- or one description line associated with a variable per time step.
-
- Specification:
- -------------
- int USERD_get_description_lines(int which_type,
- int which_var,
- char line1[Z_BUFL],
- char line2[Z_BUFL])
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) which_type = Z_GEOM for geometry (2 lines)
- = Z_VARI for variable (1 line)
-
- (IN) which_var = If it is a variable, which one.
- Ignored if geometry type.
-
- (OUT) line1 = The 1st geometry description line,
- or the variable description line.
-
- (OUT) line2 = The 2nd geometry description line
- Not used if variable type.
-
- Notes:
- -----
- * Will be based on Current_time_step
-
- * These are the lines EnSight can echo to the screen in
- annotation mode.
-
-
-
---------------------------------------------------------------------
-USERD_get_element_connectivities_for_part
-
- Description:
- -----------
- Gets the connectivities for the elements of an unstructured part
-
- Specification:
- -------------
- int USERD_get_element_connectivities_for_part(int part_number,
- int **conn_array[Z_MAXTYPE])
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) part_number = The part number
-
- (OUT) conn_array = 3D array containing connectivity
- of each element of each type.
-
- (Array will have been allocated
- Z_MAXTYPE by num_of_elements of
- each type by connectivity length
- of each type)
-
- ex) If num_of_elements[Z_TRI03] = 25
- num_of_elements[Z_QUA04] = 100
- num_of_elements[Z_HEX08] = 30
- as obtained in:
- USERD_get_part_build_info
-
- Then the allocated dimensions available
- for this routine will be:
- conn_array[Z_TRI03][25][3]
- conn_array[Z_QUA04][100][4]
- conn_array[Z_HEX08][30][8]
-
- Notes:
- -----
- * Not called unless Num_unstructured_parts is > 0
-
- * Will be based on Current_time_step
-
- * The coord_array loaded in USERD_get_global_coords is zero-based,
- but within EnSight it will become a one-based array.
- Thus, coord_array[0] will be accessed by node 1 from the conn_array,
- coord_array[1] will be accessed by node 2 from the conn_array, etc.
-
- ex) Given a model of two triangles, you should load coord_array in
- USERD_get_global_coords as follows:
-
- node coordinates
- ---- -----------
- 4 --------- 3 1 coord_array[0].xyz[0] = 0.0
- |\ | coord_array[0].xyz[1] = 0.0
- | \ T2 | coord_array[0].xyz[2] = 0.0
- | \ |
- | \ | 2 coord_array[1].xyz[0] = 1.0
- | \ | coord_array[1].xyz[1] = 0.0
- | \ | coord_array[1].xyz[2] = 0.0
- | \ |
- | T1 \ | 3 coord_array[2].xyz[0] = 1.0
- | \| coord_array[2].xyz[1] = 1.6
- 1 --------- 2 coord_array[2].xyz[2] = 0.0
-
- 4 coord_array[3].xyz[0] = 0.0
- coord_array[3].xyz[1] = 1.6
- coord_array[3].xyz[2] = 0.0
-
-
- And conn_array here as follows:
-
- Triangle Connectivity
- -------- ------------
- T1 conn_array[Z_TRI03][0][0] = 1
- conn_array[Z_TRI03][0][1] = 2
- conn_array[Z_TRI03][0][2] = 4
-
- T2 conn_array[Z_TRI03][1][0] = 2
- conn_array[Z_TRI03][1][1] = 3
- conn_array[Z_TRI03][1][2] = 4
-
-
-
---------------------------------------------------------------------
-USERD_get_element_ids_for_part
-
- Description:
- -----------
- Gets the ids for the elements of an unstructured part.
-
- Specification:
- -------------
- int USERD_get_element_ids_for_part(int part_number,
- int *elemid_array[Z_MAXTYPE])
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) part_number = The part number
-
- (OUT) elemid_array = 2D array containing id of each
- element of each type.
-
- (Array will have been allocated
- Z_MAXTYPE by num_of_elements of
- each type)
-
- ex) If num_of_elements[Z_TRI03] = 25
- num_of_elements[Z_QUA04] = 100
- num_of_elements[Z_HEX08] = 30
- as obtained in:
- USERD_get_part_build_info
-
- Then the allocated dimensions available
- for this routine will be:
- conn_array[Z_TRI03][25]
- conn_array[Z_QUA04][100]
- conn_array[Z_HEX08][30]
-
- Notes:
- -----
- * Not called unless Num_unstructured_parts is > 0 and element
- label status is TRUE
-
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_element_label_status
-
- Description:
- -----------
- Answers the question as to whether element labels will be provided.
-
- Specification:
- -------------
- int USERD_get_element_label_status( void )
-
- Returns:
- -------
- TRUE if element labels will be provided
- FALSE if element labels will NOT be provided
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * element lables are needed in order to do any element querying, or
- element labeling on-screen within EnSight.
-
- For unstructured parts, you can read them from your file if
- available, or can assign them, etc. They need to be unique
- per part, and are often unique per model.
-
- USERD_get_element_ids_for_part is used to obtain the ids,
- on a part by part basis, if TRUE status is returned here.
-
- For structured parts, EnSight will assign ids if you return a
- status of TRUE here. You cannot assign them youself!!
-
-
-
---------------------------------------------------------------------
-USERD_get_global_coords
-
- Description:
- -----------
- Gets the coordinates for the global nodes.
-
- Specification:
- -------------
- int USERD_get_global_coords(CRD *coord_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) coord_array = 1D array of CRD structures,
- which contains x,y,z coordinates
- of each node.
-
- (Array will have been allocated
- Num_global_nodes long)
-
- For reference, CRD structure (which is in global_extern) is:
-
- typedef struct {
- float xyz[3];
- }CRD;
-
- Notes:
- -----
- * Not called unless Num_unstructured_parts is > 0
-
- * Will be based on Current_time_step
-
- * The coord_array is zero-based, but within EnSight it will become
- a one-based array.
- Thus, coord_array[0] will be accessed by node 1 from the conn_array,
- coord_array[1] will be accessed by node 2 from the conn_array, etc.
-
- ex) Given a model of two triangles, you should load coord_array as
- follows:
-
- node coordinates
- ---- -----------
- 4 --------- 3 1 coord_array[0].xyz[0] = 0.0
- |\ | coord_array[0].xyz[1] = 0.0
- | \ T2 | coord_array[0].xyz[2] = 0.0
- | \ |
- | \ | 2 coord_array[1].xyz[0] = 1.0
- | \ | coord_array[1].xyz[1] = 0.0
- | \ | coord_array[1].xyz[2] = 0.0
- | \ |
- | T1 \ | 3 coord_array[2].xyz[0] = 1.0
- | \| coord_array[2].xyz[1] = 1.6
- 1 --------- 2 coord_array[2].xyz[2] = 0.0
-
- 4 coord_array[3].xyz[0] = 0.0
- coord_array[3].xyz[1] = 1.6
- coord_array[3].xyz[2] = 0.0
-
-
- And conn_array in USERD_get_element_connectivities_for_part
- as follows:
-
- Triangle Connectivity
- -------- ------------
- T1 conn_array[Z_TRI03][0][0] = 1
- conn_array[Z_TRI03][0][1] = 2
- conn_array[Z_TRI03][0][2] = 4
-
- T2 conn_array[Z_TRI03][1][0] = 2
- conn_array[Z_TRI03][1][1] = 3
- conn_array[Z_TRI03][1][2] = 4
-
---------------------------------------------------------------------
-USERD_get_global_node_ids
-
- Description:
- -----------
- Gets the node ids assigned to each of the global nodes.
-
- Specification:
- -------------
- int USERD_get_global_node_ids(int *nodeid_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) nodeid_array = 1D array containing node ids of
- each node. The ids must be > 0
-
- (Array will have been allocated
- Num_global_nodes long)
- Notes:
- -----
- * Not called unless Num_unstructured_parts is > 0 and node label
- status is TRUE
-
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_name_of_reader
-
- Description:
- -----------
- Gets the name of your user defined reader. The user interface will
- ask for this and include it in the available reader list.
-
- Specification:
- -------------
- int USERD_get_name_of_reader(char reader_name[Z_MAX_USERD_NAME],
- int *two_fields)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) reader_name = the name of the your reader or data format.
- (max length is Z_MAX_USERD_NAME, which is 20)
-
- (OUT) *two_fields = FALSE if only one data field required
- in the data dialog of EnSight.
- TRUE if two data fields required.
-
- Notes:
- -----
- * Always called. Provide a name for your custom reader format.
-
- * If you don't want a custom reader to show up in the data dialog
- choices, return a name of "No_Custom"
-
-
-
---------------------------------------------------------------------
-USERD_get_node_label_status
-
- Description:
- -----------
- Answers the question as to whether node labels will be provided.
-
- Specification:
- -------------
- int USERD_get_node_label_status( void )
-
- Returns:
- -------
- TRUE if node labels will be provided
- FALSE if node labels will NOT be provided
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * Node ids are needed in order to do any node querying, or node
- labeling on-screen within EnSight.
-
- For unstructured parts, you can read them from your file if
- available, or can assign them, etc. They need to be unique
- per part, and are often unique per model. The must also be
- positive numbers greater than zero.
-
- USERD_get_global_node_ids is used to obtain the ids, if the
- status returned here is TRUE.
-
- Also be aware that if you say node labels are available,
- the connectivity of elements must be according to these
- node ids.
-
- For structured parts, EnSight will assign ids if you return a
- status of TRUE here. You cannot assign them yourself!!
-
-
-
---------------------------------------------------------------------
-USERD_get_number_of_files_in_dataset
-
- Description:
- -----------
- Get the total number of files in the dataset. Used for the
- dataset query option within EnSight.
-
- Specification:
- -------------
- int USERD_get_number_of_files_in_dataset( void )
-
- Returns:
- -------
- The total number of files in the dataset.
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * You can be as complete as you want about this. If you don't
- care about the dataset query option, return a value of 0
- If you only want certain files, you can just include them. But,
- you will need to supply the info in USERD_get_dataset_query_file_info
- for each file you include here.
-
- * Num_dataset_files would be set here
-
-
-
---------------------------------------------------------------------
-USERD_get_number_of_global_nodes
-
- Description:
- -----------
- Gets the number of global nodes, used for unstructured parts.
-
- Specification:
- -------------
- int USERD_get_number_of_global_nodes()
-
- Returns:
- -------
- Number of global nodes (>=0 if okay, <0 if problems)
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * Not called unless Num_unstructured_parts is > 0
-
- * Will be based on Current_time_step
-
- * For unstructured data:
- EnSight wants 1. A global array of nodes
- 2. Element connectivities by part, which
- reference the node numbers of the global
- node array.
- IMPORTANT:
- ---------
- If you provide node ids, then element connectivities
- must be in terms of the node ids. If you do not
- provide node ids, then element connectivities must be
- in terms of the index into the node array, but shifted
- to start at 1
-
- * Num_global_nodes would be set here
-
-
-
---------------------------------------------------------------------
-USERD_get_number_of_model_parts
-
- Description:
- -----------
- Gets the total number of unstructured and structured parts
- in the model, for which you can supply information.
-
- Specification:
- -------------
- int USERD_get_number_of_model_parts( void )
-
- Returns:
- -------
- Number of parts (>0 if okay, <=0 if probs).
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * If going to have to read down through the parts in order to
- know how many, you may want to build a table of pointers to
- the various parts, so you can easily get to particular parts in
- later processes. If you can simply read the number of parts
- at the head of the file, then you would probably not build the
- table at this time.
-
- * This routine would set Numparts_available, which is equal to
- Num_unstructured_parts + Num_structured_blocks.
-
-
-
---------------------------------------------------------------------
-USERD_get_number_of_time_steps
-
- Description:
- -----------
- Gets the number of time steps of data available.
-
- Specification:
- -------------
- int USERD_get_number_of_time_steps( void )
-
- Returns:
- -------
- Number of time steps (>0 if okay, <=0 if problems).
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * This should be >= 1 1 indicates a static model
- >1 indicates a transient model
-
- * Num_time_steps would be set here
-
-
-
---------------------------------------------------------------------
-USERD_get_number_of_variables
-
- Description:
- -----------
- Get the number of variables for which you will be providing info.
-
- Specification:
- -------------
- int USERD_get_number_of_variables( void )
-
- Returns:
- -------
- Number of variables (includes constant, scalar, and vector types)
- (>=0 if okay, <0 if problem)
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- *****************************************************************
- * Variable numbers, by which references will be made, are implied
- here. If you say there are 3 variables, the variable numbers
- will be 1, 2, and 3.
- *****************************************************************
-
- * Num_variables would be set here
-
-
-
---------------------------------------------------------------------
-USERD_get_part_build_info
-
- Description:
- -----------
- Gets the info needed for the part building process.
-
- Specification:
- -------------
- int USERD_get_part_build_info(int *part_numbers,
- int *part_types,
- char *part_description[Z_BUFL],
- int *number_of_elements[Z_MAXTYPE],
- int *ijk_dimensions[3],
- int *iblanking_options[6])
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) part_numbers = Array containing part numbers for
- each of the model parts.
-
- IMPORTANT:
- Parts numbers must be >= 1
-
- ********************************************
- The numbers provided here are the ones by
- which the parts will be referred to in any
- of the other routines which receive a part
- number or block number as an argument!!
- ********************************************
-
- (Array will have been allocated
- Numparts_available long)
-
- (OUT) part_types = Array containing one of the
- following for each model part:
-
- Z_UNSTRUCTURED or
- Z_STRUCTURED or
- Z_IBLANKED
-
- (Array will have been allocated
- Numparts_available long)
-
- (OUT) part_description = Array containing a description
- for each of the model parts
-
- (Array will have been allocated
- Numparts_available by Z_BUFL
- long)
-
- (OUT) number_of_elements = 2D array containing number of
- each type of element for each
- unstructured model part.
- ------------
- Possible types are:
-
- Z_POINT = point
- Z_BAR02 = 2-noded bar
- Z_BAR03 = 3-noded bar
- Z_TRI03 = 3-noded triangle
- Z_TRI06 = 6-noded triangle
- Z_QUA04 = 4-noded quadrilateral
- Z_QUA08 = 8-noded quadrilateral
- Z_TET04 = 4-noded tetrahedron
- Z_TET10 = 10-noded tetrahedron
- Z_PYR05 = 5-noded pyramid
- Z_PYR13 = 13-noded pyramid
- Z_PEN06 = 6-noded pentahedron
- Z_PEN15 = 15-noded pentahedron
- Z_HEX08 = 8-noded hexahedron
- Z_HEX20 = 20-noded hexahedron
-
- (Ignored unless Z_UNSTRUCTURED type)
-
- (Array will have been allocated
- Numparts_available by
- Z_MAXTYPE long)
-
- (OUT) ijk_dimensions = 2D array containing ijk dimensions
- for each structured model part.
- ----------
- (Ignored if Z_UNSTRUCTURED type)
-
- (Array will have been allocated
- Numparts_available by 3 long)
-
- ijk_dimensions[][0] = I dimension
- ijk_dimensions[][1] = J dimension
- ijk_dimensions[][2] = K dimension
-
- (OUT) iblanking_options = 2D array containing iblanking
- options possible for each
- structured model part.
- ----------
- (Ignored unless Z_IBLANKED type)
-
- (Array will have been allocated
- Numparts_available by 6 long)
-
- iblanking_options[][Z_EXT] = TRUE if external (outside)
- [][Z_INT] = TRUE if internal (inside)
- [][Z_BND] = TRUE if boundary
- [][Z_INTBND] = TRUE if internal boundary
- [][Z_SYM] = TRUE if symmetry surface
-
-
- Notes:
- -----
- * If you haven't built a table of pointers to the different parts,
- you might want to do so here as you gather the needed info.
-
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_scalar_values
-
- Description:
- -----------
- if Z_PER_NODE:
- Get the values at each global node for a given scalar variable.
-
- or if Z_PER_ELEM:
- Get the values at each element of a specific part and type for a
- given scalar variable.
-
- Specification:
- -------------
- int USERD_get_scalar_values(int which_scalar,
- int which_part,
- int which_type,
- float *scalar_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) which_scalar = The variable number (of scalar type)
-
- (IN) which_part
-
- if Z_PER_NODE: Not used
-
- if Z_PER_ELEM: = The part number
-
- (IN) which_type
-
- if Z_PER_NODE: Not used
-
- if Z_PER_ELEM: = The element type
-
- (OUT) scalar_array
-
- if Z_PER_NODE: = 1D array containing scalar values
- for each node.
-
- (Array will have been allocated
- Num_global_nodes long)
-
- if Z_PER_ELEM: = 1d array containing scalar values for
- each element of a particular part and type.
-
- (Array will have been allocated
- number_of_elements[which_part][which_type]
- long. See USERD_get_part_build_info)
-
- Notes:
- -----
- * Not called unless Num_unstructured_parts is > 0,
- Num_variables is > 0, and you have some scalar type variables.
-
- * The per_node or per_elem classification must be obtainable from the
- variable number (a var_classify array needs to be retained)
-
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_solution_times
-
- Description:
- -----------
- Get the solution times associated with each time step.
-
- Specification:
- -------------
- int USERD_get_solution_times(float *solution_times)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) solution_times = 1D array of solution times/time step
-
- (Array will have been allocated
- Num_time_steps long)
-
- Notes:
- -----
- * The solution times must be non-negative and increasing.
-
-
-
---------------------------------------------------------------------
-USERD_get_variable_info
-
- Description:
- -----------
- Get the variable descriptions, types and filenames
-
- Specification:
- -------------
- int USERD_get_variable_info(char **var_description,
- char **var_filename,
- int *var_type,
- int *var_classify)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) var_description = Variable descriptions
-
- (Array will have been allocated
- Num_variables by Z_BUFL long)
-
- (OUT) var_filename = Variable filenames
-
- (Array will have been allocated
- Num_variables by Z_BUFL long)
-
- (OUT) var_type = Variable type
-
- (Array will have been allocated
- Num_variables long)
-
- types are: Z_CONSTANT
- Z_SCALAR
- Z_VECTOR
-
- (OUT) var_classify = Variable classification
-
- (Array will have been allocated
- Num_variables long)
-
- types are: Z_PER_NODE
- Z_PER_ELEM
-
- Notes:
- -----
- * The implied variable numbers apply, but be aware that the
- arrays are zero based.
- So for variable 1, will need to provide var_description[0]
- var_filename[0]
- var_type[0]
- var_classify[0]
-
- for variable 2, will need to provide var_description[1]
- var_filename[1]
- var_type[1]
- var_classify[1]
- etc.
-
-
-
---------------------------------------------------------------------
-USERD_get_variable_value_at_specific
-
- Description:
- -----------
- if Z_PER_NODE:
- Get the value of a particular variable at a particular node in a
- particular part at a particular time.
-
- or if Z_PER_ELEM:
- Get the value of a particular variable at a particular element of
- a particular type in a particular part at a particular time.
-
-
- Specification:
- -------------
- int USERD_get_variable_value_at_specific(int which_var,
- int which_node_or_elem,
- int which_part,
- int which_elem_type,
- int time_step,
- float values[3])
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) which_var = The variable number
-
- (IN) which_node_or_elem
-
- If Z_PER_NODE:
- = The node number. This is not the id, but is
- the index of the global node
- list (1 based), or the block's
- node list (1 based).
-
- Thus, coord_array[1]
- coord_array[2]
- coord_array[3]
- . |
- . |which_node_or_elem index
- . ----
-
-
- If Z_PER_ELEM:
- = The element number. This is not the id, but is
- the element number index
- of the number_of_element array
- (see USERD_get_part_build_info),
- or the block's element list (1 based).
-
- Thus, for which_part:
- conn_array[which_elem_type][0]
- conn_array[which_elem_type][1]
- conn_array[which_elem_type][2]
- . |
- . which_node_or_elem index
- . ----
-
-
- (IN) which_part
-
- If Z_PER_NODE, or block part:
- = Not used
-
- If Z_PER_ELEM:
- = The part number
-
- (IN) which_elem_type
-
- If Z_PER_NODE, or block part:
- = Not used
-
- If Z_PER_ELEM:
- = The element type. This is the element type index
- of the number_of_element array
- (see USERD_get_part_build_info)
-
- (IN) time_step = The time step
-
- (OUT) values = scalar or vector component value(s)
- values[0] = scalar or vector[0]
- values[1] = vector[1]
- values[2] = vector[2]
-
-
- Notes:
- -----
- * This routine is used in node querys over time (or element querys over
- time for Z_PER_ELEM variables). If these operations are not critical
- to you, this can be a dummy routine.
-
- * The per_node or per_elem classification must be obtainable from the
- variable number (a var_classify array needs to be retained)
-
-
---------------------------------------------------------------------
-USERD_get_vector_values
-
- Description:
- -----------
- if Z_PER_NODE:
- Get the values at each global node for a given vector variable.
-
- or if Z_PER_ELEM:
- Get the values at each element of a specific part and type for a
- given vector variable.
-
- Specification:
- -------------
- int USERD_get_vector_values(int which_vector,
- int which_part,
- int which_type,
- float *vector_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) which_vector = The variable number
-
- (IN) which_part
-
- if Z_PER_NODE: Not used
-
- if Z_PER_ELEM: = The part number
-
- (IN) which_type
-
- if Z_PER_NODE: Not used
-
- if Z_PER_ELEM: = The element type
-
- (OUT) vector_array
-
- if Z_PER_NODE: = 1D array containing vector values
- for each node.
-
- (Array will have been allocated
- 3 by Num_global_nodes long)
-
- Info stored in this fashion:
- vector_array[0] = xcomp of node 1
- vector_array[1] = ycomp of node 1
- vector_array[2] = zcomp of node 1
-
- vector_array[3] = xcomp of node 2
- vector_array[4] = ycomp of node 2
- vector_array[5] = zcomp of node 2
-
- vector_array[6] = xcomp of node 3
- vector_array[7] = ycomp of node 3
- vector_array[8] = zcomp of node 3
- etc.
-
- if Z_PER_ELEM: = 1D array containing vector values for
- each element of a particular part and type.
-
- (Array will have been allocated
- 3 by number_of_elements[which_part][which_type]
- long. See USERD_get_part_build_info)
-
- Info stored in this fashion:
- vector_array[0] = xcomp of elem 1 (of part and type)
- vector_array[1] = ycomp of elem 1 "
- vector_array[2] = zcomp of elem 1 "
-
- vector_array[3] = xcomp of elem 2 "
- vector_array[4] = ycomp of elem 2 "
- vector_array[5] = zcomp of elem 2 "
-
- vector_array[6] = xcomp of elem 3 "
- vector_array[7] = ycomp of elem 3 "
- vector_array[8] = zcomp of elem 3 "
- etc.
-
- Notes:
- -----
- * Not called unless Num_unstructured_parts is > 0,
- Num_variables is > 0, and you have some vector type variables
-
- * The per_node or per_elem classification must be obtainable from the
- variable number (a var_classify array needs to be retained)
-
- * Will be based on Current_time_step
-
-
---------------------------------------------------------------------
-USERD_set_filenames
-
- Description:
- -----------
- Receives the geometry and result filenames entered in the data
- dialog. The user written code will have to store and use these
- as needed.
-
- Specification:
- -------------
- int USERD_set_filenames(char filename_1[],
- char filename_2[],
- char the_path[],
- int swapbytes)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) filename_1 = the filename entered into the geometry
- field of the data dialog.
- (IN) filename_2 = the filename entered into the result
- field of the data dialog.
- (If the two_fields flag in USERD_get_name_of_reader
- is FALSE, this will be null string)
- (IN) the_path = the path info from the data dialog.
- Note: filename_1 and filename_2 have already
- had the path prepended to them. This
- is provided in case it is needed for
- filenames contained in one of the files
- (IN) swapbytes = TRUE if should swap bytes when reading data.
-
- Notes:
- -----
- * Since you must manage everything from the input that is entered in
- these data dialog fields, this is an important routine!
-
- * It may be that you will need to have an executive type file that contains
- info and other filenames within it, like EnSight6's case file.
-
-
-
---------------------------------------------------------------------
-USERD_set_time_step
-
- Description:
- -----------
- Set the current time step. All functions that need time, and
- that do not explicitly pass it in, will use the time step set by
- this routine.
-
- Specification:
- -------------
- void USERD_set_time_step(int time_step)
-
- Returns:
- -------
- nothing
-
- Arguments:
- ---------
- (IN) time_step - The current time step to set
-
- Notes:
- -----
- * Current_time_step would be set here
-
-
-
---------------------------------------------------------------------
-USERD_stop_part_building
-
- Description:
- -----------
- This routine called when the part building dialog is closed. It is
- provided in case you desire to release memory, etc. that was only needed
- during the part building process.
-
- Specification:
- -------------
- void USERD_stop_part_building( void )
-
- Returns:
- -------
- nothing
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
-
-
-
----- end of doucment ----
-
-
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/README_USERD_2.0 b/applications/utilities/postProcessing/graphics/ensightFoamReader/README_USERD_2.0
deleted file mode 100644
index 93ac1f4..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/README_USERD_2.0
+++ /dev/null
@@ -1,2537 +0,0 @@
-README_USERD_2.0
-================
---------------------------------------
-EnSight User Defined Reader Capability ===> (API 2.0)
---------------------------------------
-A user defined reader capability is included in EnSight which can allow
-otherwise unsupported structured or unstructured data to be read. The user
-defined reader capability utilizes dynamic shared libraries composed of
-routines defined in this document but produced by you, the user, (or some
-third party). This capability is currently available for dec, ibm, hp, sgi,
-sun, linux, alpha linux, and NT servers.
-
-Two versions of this API are available starting with EnSight Version 7.2. The
-1.0 API (which was designed to be friendly to those producing it, but requires
-more manipulation internally by EnSight) may be a little easier to
-produce, but requires more memory and processing time. The 2.0 API is
-considerably more efficient, and was designed more with that in mind. It
-requires that all data be provided on a part basis.
-
-If you already have a working 1.0 API reader and are happy with it - there is
-probably no reason to modify it to the 2.0 API unless:
- - you deal with large models and the memory use and load times are a
- problem or
- - you need tensor variable support or
- - you need complex variable support or
- - you need multiple timeset capability or
- _ you want to provide your own "border" elements (as opposed to EnSight's
- computation of them).
-
-If you are producing a new reader, you should consider which will work best
-for your needs.
-
-
-API 1.0 (defined in README_USERD_1.0 document)
-=======
-The original user defined reader API (used with EnSight Versions 6 through
-7.1) will continue to be supported. (Note that there was a change in the way
-that the libraries were made at version 7.1 of EnSight, but underlying code
-was kept the same.) Thus, any readers that work with EnSight 7.1, should still
-function with EnSight 7.2.
-
-
-API 2.0 (defined in this README_USERD_2.0 document)
-=======
-This new API has been defined to be more efficient and includes access to new
-capabilities of EnSight 7.2. It lends itself closely to the EnSight "gold"
-type format.
-
-Some of its advantages are::
-
- * Most intermediate temporary arrays have been eliminated, such that the user
- defined routines write directly into internal part structures. This is a
- considerable improvement in memory use, and improves speed as well since
- far less memory need be allocated, initialized, etc.
-
- * Parts are self contained. Coordinates, connectivity and all variables are
- provided on a part basis. This eliminates the need for several global to
- local coordinate mapping operations and the need for node id connectivity
- hashing. This can greatly improve the speed at which models are loaded.
-
- * Model extents can be provided directly, such that EnSight need not read
- all the coordinate data at load time.
-
- * Tensor variables are supported
-
- * Complex variables are supported
-
- * A routine is provided as EnSight exits, so cleanup operations such as
- removing temporary files can be easily accomplished.
-
- * Geometry and variables can be provided on different time lines (timesets).
-
- * If your data format already provides boundary shell information, you can
- use it instead of the "border" representation that EnSight would compute.
-
-Further discussion on the philosophical differences between the two API's and
-an efficiency comparison example can be found in the README_1.0_to_2.0 file.
-This file also contains guidance on necessary changes to modify an existing
-1.0 API to the new 2.0 API.
-
-
-****************************************************************************
-Note: A default dummy_gold reader and an Ensight Gold example of this new 2.0
- user defined reader API has been included with your EnSight release.
- Also, the SILO reader included in the release utilizes the 2.0 API.
-
- And while not identical, the API 1.0 readers might be useful to
- examine as examples. Many of the routines are the same or similar.
-****************************************************************************
-
-
-The process for producing a user defined reader is:
----------------------------------------------------
-1. Write code for all pertinent routines in the library (Unless someone else
- has done this for you).
-
- This is of course where the work is done by the user. The word
- "pertinent" is used because depending on the nature of the data, some
- of the routines in the library may be dummy routines.
-
- The source code for a dummy_gold library and for various other
- working or sample libraries is copied from the installation CD during
- installation. These will be located in directories under:
-
- $CEI_HOME/ensight76/user_defined_src/readers
-
- examples:
- --------
- Basic dummy_gold routines provide skeleton for a new reader
- $CEI_HOME/ensight76/user_defined_src/readers/dummy_gold
-
- Sample library which reads unstructured binary EnSight Gold data
- $CEI_HOME/ensight76/user_defined_src/readers/ensight_gold
-
- You may find it useful to place your library source in this area as
- well, but are not limited to this location.
-
- * ===> The descriptions of each library routine and the order that the
- routines are called, which is provided in this file, along with
- the example libraries, should make it possible for you to produce
- code for your own data reader.
-
-
-2. Produce the dynamic shared library.
-
- This is a compiling and loading process which varies according to
- the type of machine you are on. In the user-defined-reader source
- tree we have tried to isolate the machine dependent parts of the
- build process using a set of files in the 'config' directory. In this
- directory there is a configuration file for each platform on which
- EnSight is supported. Before you can compile the installed readers
- you should run the script called 'init' in the config directory.
-
- i.e. (for UNIX)
- cd config
- ./init sgi_6.5_n64
- cd ..
- make
-
- If you are compiling for Windows NT, there are two options. If you
- have the Cygwin GNU utilities installed, you can use GNU make as for
- Unix. Otherwise, there is a script called makeall.cmd which will
- build all of the readers using nmake. The Makefiles in each reader
- directory will work using either make or nmake.
-
- i.e. (WIN32 Cygwin) (using nmake)
- cd config cd config
- sh init win32 cp win32 config
- cd .. cd ..
- mkdir lib
- make makeall.cmd
-
- If you have platform-specific portions of code in your reader, the
- build system defines a set of flags which can be used within
- #ifdef ... #endif regions in your source, as shown in the table
- below.
-
- Because the readers are now dynamically opened by EnSight, you may
- have to include dependent libraries on your link-line to avoid having
- unresolved symbols. If you are having problems with a reader, start
- ensight as "ensight7 -readerdbg" and you will get feedback on any
- problems encountered in loading a reader. If there are unresolved
- symbols, you need to find the library which contains the missing
- symbols and link it into your reader by adding it to the example
- link commands below.
-
- If you choose to use a different build environment for your reader,
- you should take care to use compatible compilation flags to ensure
- compatibilty with the EnSight executables, most notably on the SGI
- and HP-UX 11.0 platforms, which should use the following flags:
-
- sgi_6.2_o32: -mips2
- sgi_6.2_n64: -mips4 -64
- sgi_6.5_n32: -mips3
- sgi_6.5_n64: -mips4 -64
- hp_11.0_32: +DA2.0
- hp_11.0_64: +DA2.0W
-
- ______________________________________________________________________
- | MACHINE | OS flag | SHARED LIBRARY NAME PRODUCED |
- | TYPE |------------------------------------------------------------|
- | | LD COMMAND USED IN MAKEFILE |
- ======================================================================
- ______________________________________________________________________
- | sgi | -DSGI | libuserd-X.so |
- | |------------------------------------------------------------|
- | | ld -shared -all -o libuserd-X.so libuserd-X.o |
- ----------------------------------------------------------------------
- ______________________________________________________________________
- | hp | -DHP | libuserd-X.sl |
- | |------------------------------------------------------------|
- | | ld -b -o libuserd-X.sl libuserd-X.o |
- ----------------------------------------------------------------------
- ______________________________________________________________________
- | sun | -DSUN | libuserd-X.so |
- | |------------------------------------------------------------|
- | | ld -G -o libuserd-X.so libuserd-X.o |
- ----------------------------------------------------------------------
- ______________________________________________________________________
- | dec | -DDEC | libuserd-X.so |
- | |------------------------------------------------------------|
- | | ld -shared -all -o libuserd-X.so libuserd-X.o -lc |
- ----------------------------------------------------------------------
- ______________________________________________________________________
- | linux | -DLINUX | libuserd-X.so |
- | |------------------------------------------------------------|
- | | ld -shared -o libuserd-X.so libuserd-X.o -lc |
- ----------------------------------------------------------------------
- ______________________________________________________________________
- | alpha | -DALINUX | libuserd-X.so |
- | linux |------------------------------------------------------------|
- | | ld -shared -o libuserd-X.so libuserd-X.o -lc |
- ----------------------------------------------------------------------
- ______________________________________________________________________
- | ibm | -DIBM | libuserd-X.so |
- | |------------------------------------------------------------|
- | | ld -G -o libuserd-X.so libuserd-X.o -bnoentry -bexpall -lc |
- ----------------------------------------------------------------------
-
- Once you have created your library, you should place it in a directory
- of your choice or in the standard reader location:
-
- $CEI_HOME/ensight76/machines/$CEI_ARCH/lib_readers
-
- For example, if you created a reader for "mydata", you should create
- the reader libuserd-mydata.so and place the file in your own reader
- directory (see section 3 below) or in the standard location:
-
- $CEI_HOME/ensight76/machines/$CEI_ARCH/lib_readers/libuserd-mydata.so
-
-
-3. By default EnSight will load all readers found in the directory:
-
- $CEI_HOME/ensight76/machines/$CEI_ARCH/lib_readers
-
- Files with names "libuserd-X.so" (where X is a name unique to the reader)
- are assumed to be user-defined readers.
-
- There are two methods which can be used to supplement the default
- behavior.
-
- (1) A feature which is useful for site-level or user-level configuration
- is the optional environment variable $ENSIGHT7_READER. This
- variable directs EnSight to load all readers in the specified reader
- directory (you should probably specify a full path) before loading
- the built-in readers. If the same reader exists in both directories
- (as determined by the name returned by USERD_get_name_of_reader(),
- NOT by the filename), the locally configured reader will take
- precedence.
-
- (2) A useful feature for end-users is the use of the libuserd-devel
- reader. EnSight will search for a reader named libuserd-devel.so
- (.sl for HP or .dll for NT). This reader can exist anywhere in the
- library path (see below) of the user. This is useful for an
- individual actively developing a reader because the existence of a
- libuserd-devel library will take precedence over any other library
- which returns the same name from USERD_get_name_of_reader().
-
- As an example, a site may install commonly used readers in a common
- location, and users can set the ENSIGHT7_READER variable to access them:
-
- setenv ENSIGHT7_READER /usr/local/lib/e7readers
-
- A user working on a new reader may compile the reader and place it in
- a directory specified by the library path:
-
- cp libuserd-myreader.so ~/lib/libuserd-devel.so
- setenv <librarypath> ~/lib:$<librarypath>
-
- The user is responsible for correctly configuring the library path
- variable in order to make use of the libuserd-devel feature. The
- library environment variables used are:
-
- Machine type Environment variable to set
- ------------ ---------------------------
- sgi LD_LIBRARY_PATH
- dec LD_LIBRARY_PATH
- sun LD_LIBRARY_PATH
- linux LD_LIBRARY_PATH
- alpha linux LD_LIBRARY_PATH
- hp SHLIB_PATH
- ibm LIBPATH
-
-As always, EnSight support is available if you need it.
-
-
-
--------------------------------
-Quick Index of Library Routines
--------------------------------
-
-Generally Needed for UNSTRUCTURED data
---------------------------------------
-USERD_get_part_coords part's node coordinates
-USERD_get_part_node_ids part's node ids
-USERD_get_part_elements_by_type part's element connectivites
-USERD_get_part_element_ids_by_type part's element ids
-
-
-Generally Needed for BLOCK data
---------------------------------------
-USERD_get_block_coords_by_component block coordinates
-USERD_get_block_iblanking block iblanking values
-
-
-Generally needed for either or both kinds of data
--------------------------------------------------
-USERD_get_name_of_reader name of reader for GUI
-USERD_get_reader_version provide reader version number
-USERD_get_reader_descrip provide GUI more description(optional)
-
-USERD_set_filenames filenames entered in GUI
-USERD_set_server_number server which of how many
-
-USERD_get_number_of_timesets number of timesets
-USERD_get_timeset_description description of timeset
-USERD_get_geom_timeset_number timeset # to use for geom
-
-USERD_get_num_of_time_steps number of time steps
-USERD_get_sol_times solution time values
-USERD_set_time_set_and_step current timeset and time step
-
-
-USERD_get_changing_geometry_status changing geometry?
-USERD_get_node_label_status node labels?
-USERD_get_element_label_status element labels?
-USERD_get_model_extents provide model bounding extents
-USERD_get_number_of_files_in_dataset number of files in model
-USERD_get_dataset_query_file_info info about each model file
-USERD_get_descrip_lines file associated description lines
-USERD_get_number_of_model_parts number of model parts
-USERD_get_part_build_info part/block type/descrip etc.
-USERD_get_maxsize_info part/block allocation maximums
-
-USERD_get_border_availability part border provided?
-USERD_get_border_elements_by_type part border conn and parent info
-
-USERD_get_number_of_variables number of variables
-USERD_get_gold_variable_info variable type/descrip etc.
-USERD_get_var_by_component part or block variable values
-USERD_get_constant_val constant variable's value
-USERD_get_var_value_at_specific node's or element's variable
- value over time
-USERD_stop_part_building cleanup after part build routine
-
-USERD_bkup archive routine
-
-USERD_exit_routine cleanup upon exit routine
-
-
--------------------------
-Order Routines are called
--------------------------
-
-The various main operations are given basically in the order they will
-be performed. Within each operation, the order the routines will be
-called is given.
-
-1. Setting name in the gui, and specifying one or two input fields
-
- USERD_get_name_of_reader
- USERD_get_reader_descrip (optional)
-
-2. Getting the reader version (also distinguishes between API's)
-
- USERD_get_reader_version
-
-3. Setting filenames and getting timeset and time info
-
- USERD_set_server_number
- USERD_set_filenames
- USERD_get_number_of_timesets
- USERD_get_geom_timeset_number
-
- for each timeset:
- USERD_get_timeset_description
- USERD_get_num_of_time_steps
- USERD_get_sol_times
-
- USERD_set_time_set_and_step
-
-4. Gathering info for part builder
-
- USERD_set_time_set_and_step
- USERD_get_changing_geometry_status
- USERD_get_node_label_status
- USERD_get_element_label_status
- USERD_get_number_of_files_in_dataset
- USERD_get_dataset_query_file_info
- USERD_get_descrip_lines (for geometry)
- USERD_get_number_of_model_parts
- USERD_get_gold_part_build_info
- USERD_get_maxsize_info
- USERD_get_model_extents OR (for model extents)
- USERD_get_part_coords AND/OR
- USERD_get_block_coords_by_component
-
-5. Gathering Variable info
-
- USERD_get_number_of_variables
- USERD_get_gold_variable_info
-
-6. Part building (per part created)
-
- USERD_set_time_set_and_step
- USERD_get_part_element_ids_by_type
- USERD_get_part_elements_by_type
- USERD_get_part_coords
- USERD_get_part_node_ids
- USERD_get_block_iblanking
- USERD_get_block_coords_by_component
-
- USERD_get_border_availability (If border representation
- USERD_get_border_elements_by_type is selected)
-
- USERD_stop_part_building (only once when part builder
- dialog is closed)
-
-7. Loading Variables
-
- constants:
- ---------
- USERD_set_time_set_and_step
- USERD_get_constant_val
-
- scalars/vectors/tensors:
- ------------------------
- USERD_get_descrip_lines
- USERD_set_time_set_and_step
- USERD_get_var_by_component
-
-8. Changing geometry
-
- changing coords only (per part):
- --------------------
- USERD_set_time_set_and_step
- USERD_get_descrip_lines
- USERD_get_part_coords
- USERD_get_block_coords_by_component
-
- changing connectivity (per part):
- ---------------------
- USERD_set_time_set_and_step
- USERD_get_descrip_lines
- USERD_get_number_of_model_parts
- USERD_get_gold_part_build_info
- USERD_get_model_extents OR
- USERD_get_part_coords AND/OR
- USERD_get_block_coords_by_component
- USERD_get_part_element_ids_by_type
- USERD_get_part_elements_by_type
- USERD_get_part_coords
- USERD_get_part_node_ids
- USERD_get_block_iblanking
- USERD_get_block_coords_by_component
-
- USERD_get_border_availability (If border representation
- USERD_get_border_elements_by_type is selected)
-
-
-9. Node or Element queries over time
-
- USERD_get_var_value_at_specific
-
-
------------------------
-Detailed Specifications
------------------------
-
-Include files:
---------------
-The following header file is required in any file containing these library
-routines.
-
- #include "global_extern.h"
-
-
-Basis of arrays:
----------------
-Unless explicitly stated otherwise, all arrays are zero based - in true C
-fashion.
-
-
-Global variables:
-----------------
-You will generally need to have a few global variables which are shared by
-the various library routines. The detailed specifications below have assumed
-the following are available. (Their names describe their purpose, and they
-will be used in helping describe the details of the routines below).
-
-static int Numparts_available = 0;
-static int Num_unstructured_parts = 0;
-static int Num_structured_blocks = 0;
-
-/* Note: Numparts_available = Num_unstructured_parts + Num_structured_blocks */
-
-static int Num_timesets = 1;
-static int Current_timeset = 1;
-static int Geom_timeset_number = 1;
-
-static int Num_time_steps[Z_MAXSETS] = 1;
-static int Current_time_step = 0;
-static int Num_variables = 0;
-static int Num_dataset_files = 0;
-
-static int Server_Number = 1; Which server of
-static int Tot_Servers = 1; the total number of servers
-
-
-
-_________________________________________
------------------------------------------
-Library Routines (in alphabetical order):
-_________________________________________
------------------------------------------
-
---------------------------------------------------------------------
-USERD_bkup
-
- Description:
- -----------
- This routine is called during the EnSight archive process. You can
- use it to save or restore info relating to your user defined reader.
-
- Specification:
- -------------
- int USERD_bkup(FILE *archive_file,
- int backup_type)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) archive_file = The archive file pointer
-
- (IN) backup_type = Z_SAVE_ARCHIVE for saving archive
- Z_REST_ARCHIVE for restoring archive
-
- Notes:
- -----
- * Since EnSight's archive file is saved in binary form, you should
- also do any writing to it or reading from it in binary.
-
- * You should archive any variables, which will be needed for
- future operations, that will not be read or computed again
- before they will be needed. These are typically global
- variables.
-
- * Make sure that the number of bytes that you write on a save and
- the number of bytes that you read on a restore are identical!!
-
- * If any of the variables you save are allocated arrays, you must
- do the allocations before restoring into them.
-
---------------------------------------------------------------------
-USERD_exit_routine
-
- Description:
- -----------
- This routine is called as EnSight is exiting. It can be used to clean
- up anything needed - such as removing temporary files, etc. - or can simply
- be a dummy.
-
- Specification:
- -------------
- void USERD_exit_routine( void )
-
- Arguments:
- ---------
- none
-
---------------------------------------------------------------------
-USERD_get_block_coords_by_component
-
- Description:
- -----------
- Get the coordinates of a given structured block, a component at a time.
-
- Specification:
- -------------
- int USERD_get_block_coords_by_component(int block_number,
- int which_component,
- float *coord_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) block_number = The block part number
- (1-based index of part table, namely:
-
- 1 ... Numparts_available.
-
- It is NOT the part_id that
- is loaded in USERD_get_gold_part_build_info)
-
- (IN) which_component = Z_COMPX if x component wanted
- = Z_COMPY if y component wanted
- = Z_COMPZ if z component wanted
-
- (OUT) coord_array = 1D array containing x,y, or z
- coordinate component of each node
-
- (Array will have been allocated
- i*j*k for the block long)
-
- Notes:
- -----
- * Not called unless Num_structured_blocks is > 0
-
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_block_iblanking
-
- Description:
- -----------
- Get the iblanking value at each node of a block (if the block is
- iblanked).
-
- Specification:
- -------------
- int USERD_get_block_iblanking(int block_number,
- int *iblank_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) block_number = The block part number
- (1-based index of part table, namely:
-
- 1 ... Numparts_available.
-
- It is NOT the part_id that
- is loaded in USERD_get_gold_part_build_info)
-
- (OUT) iblank_array = 1D array containing iblank value
- for each node.
-
- (Array will have been allocated
- i*j*k for the block long)
-
- possible values are: Z_EXT = exterior
- Z_INT = interior
- Z_BND = boundary
- Z_INTBND = internal boundary
- Z_SYM = symmetry plane
-
- Notes:
- -----
- * Not called unless Num_structured_blocks is > 0 and you have
- some iblanked blocks
-
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_border_availability
-
- Description:
- -----------
- Finds out if border elements are provided by the reader for the
- desired part, or will need to be computed internally by EnSight.
-
- Specification:
- -------------
- int USERD_get_border_availability(int part_number,
- int number_of_elements[Z_MAXTYPE])
-
- Returns:
- -------
- Z_OK if border elements will be provided by the reader.
- (number_of_elements array will be loaded and
- USERD_get_border_elements_by_type will be called)
-
- Z_ERR if border elements are not available - thus EnSight must compute.
- (USERD_get_border_elements_by_type will not be called)
-
-
- Arguments:
- ---------
- (IN) part_number = The part number
- (1-based index of part table, namely:
-
- 1 ... Numparts_available.
-
- It is NOT the part_id that
- is loaded in USERD_get_gold_part_build_info)
-
- (OUT) number_of_elements = 2D array containing number of
- each type of border element in
- the part.
- ------------
- Possible types are:
-
- Z_POINT = point
- Z_BAR02 = 2-noded bar
- Z_BAR03 = 3-noded bar
- Z_TRI03 = 3-noded triangle
- Z_TRI06 = 6-noded triangle
- Z_QUA04 = 4-noded quadrilateral
- Z_QUA08 = 8-noded quadrilateral
-
- Notes:
- -----
- * Only called if border representation is used.
-
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_border_elements_by_type
-
- Description:
- -----------
- Provides border element connectivity and parent information.
-
- Specification:
- -------------
- int USERD_get_border_elements_by_type(int part_number,
- int element_type,
- int **conn_array,
- short *parent_element_type,
- int *parent_element_num)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) part_number = The part number
- (1-based index of part table, namely:
-
- 1 ... Numparts_available.
-
- It is NOT the part_id that
- is loaded in USERD_get_gold_part_build_info)
-
- (IN) element_type = One of the following (See global_extern.h)
- Z_POINT node point element
- Z_BAR02 2 node bar
- Z_BAR03 3 node bar
- Z_TRI03 3 node triangle
- Z_TRI06 6 node triangle
- Z_QUA04 4 node quad
- Z_QUA08 8 node quad
-
- (OUT) conn_array = 2D array containing connectivity
- of each border element of the type.
-
- (Array will have been allocated
- num_of_elements of the type by
- connectivity length of the type)
-
- ex) If number_of_elements[Z_TRI03] = 25
- number_of_elements[Z_QUA04] = 100
- number_of_elements[Z_QUA08] = 30
- as obtained in:
- USERD_get_border_availability
-
- Then the allocated dimensions available
- for this routine will be:
- conn_array[25][3] when called with Z_TRI03
-
- conn_array[100][4] when called with Z_QUA04
-
- conn_array[30][8] when called with Z_QUA08
-
- (OUT) parent_element_type = 1D array containing element type of the
- parent element (the one that the border
- element is a face/edge of).
-
- (Array will have been allocated
- num_of_elements of the type long)
-
- (OUT) parent_element_num = 1D array containing element number of the
- parent element (the one that the border
- element is a face/edge of).
-
- (Array will have been allocated
- num_of_elements of the type long)
-
-
- Notes:
- -----
- * Not called unless USERD_get_border_availability returned Z_OK
-
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_changing_geometry_status
-
- Description:
- -----------
- Gets the changing geometry status for the model
-
- Specification:
- -------------
- int USERD_get_changing_geometry_status( void )
-
- Returns:
- -------
- Z_STATIC if geometry does not change
- Z_CHANGE_COORDS if changing coordinates only
- Z_CHANGE_CONN if changing connectivity
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * EnSight does not support changing number of parts. But the
- coords and/or the connectivity of the parts can change. Note that
- a part is allowed to be empty (number of nodes and elements equal
- to zero).
-
-
---------------------------------------------------------------------
-USERD_get_constant_val
-
- Description:
- -----------
- Get the value of a constant at a time step
-
- Specification:
- -------------
- float USERD_get_constant_value(int which_var,
- int imag_data)
-
- Returns:
- -------
- Value of the requested constant variable
-
- Arguments:
- ---------
- (IN) which_var = The variable number
-
- (IN) imag_data = TRUE if want imaginary data value.
- FALSE if want real data value.
-
- Notes:
- -----
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_dataset_query_file_info
-
- Description:
- -----------
- Get the information about files in the dataset. Used for the
- dataset query option within EnSight.
-
- Specification:
- -------------
- int USERD_get_dataset_query_file_info(Z_QFILES *qfiles)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) qfiles = Structure containing information about each file
- of the dataset. The Z_QFILES structure is defined
- in the global_extern.h file
-
- (The structure will have been allocated
- Num_dataset_files long, with 10 description
- lines per file).
-
- qfiles[].name = The name of the file
- (Z_MAXFILENP is the dimensioned length
- of the name)
-
- qfiles[].sizeb = The number of bytes in the file
- (Typically obtained with a call to the
- "stat" system routine) (Is a long)
-
- qfiles[].timemod = The time the file was last modified
- (Z_MAXTIMLEN is the dimensioned length
- of this string)
- (Typically obtained with a call to the
- "stat" system routine)
-
- qfiles[].num_d_lines = The number of description lines you
- are providing from the file. Max = 10
-
- qfiles[].f_desc[] = The description line(s) per file,
- qfiles[].num_d_lines of them
- (Z_MAXFILENP is the allocated length of
- each line)
-
- Notes:
- -----
- * If Num_dataset_files is 0, this routine will not be called.
- (See USERD_get_number_of_files_in_dataset)
-
-
---------------------------------------------------------------------
-USERD_get_descrip_lines
-
- Description:
- -----------
- Get two description lines associated with geometry per time step,
- or one description line associated with a variable per time step.
-
- Specification:
- -------------
- int USERD_get_descrip_lines(int which_type,
- int which_var,
- int imag_data,
- char line1[Z_BUFL],
- char line2[Z_BUFL])
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) which_type = Z_GEOM for geometry (2 lines)
- = Z_VARI for variable (1 line)
-
- (IN) which_var = If it is a variable, which one.
- Ignored if geometry type.
-
- (IN) imag_data = TRUE if want imaginary data file.
- FALSE if want real data file.
-
- (OUT) line1 = The 1st geometry description line,
- or the variable description line.
-
- (OUT) line2 = The 2nd geometry description line
- Not used if variable type.
-
- Notes:
- -----
- * Will be based on Current_time_step
-
- * These are the lines EnSight can echo to the screen in
- annotation mode.
-
-
-
---------------------------------------------------------------------
-USERD_get_element_label_status
-
- Description:
- -----------
- Answers the question as to whether element labels will be provided.
-
- Specification:
- -------------
- int USERD_get_element_label_status( void )
-
- Returns:
- -------
- TRUE if element labels will be provided
- FALSE if element labels will NOT be provided
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * element lables are needed in order to do any element querying, or
- element labeling on-screen within EnSight.
-
- For unstructured parts, you can read them from your file if
- available, or can assign them, etc. They need to be unique
- per part, and are often unique per model.
-
- USERD_get_part_element_ids_by_type is used to obtain the ids,
- on a per part, per type basis, if TRUE status is returned here.
-
- For structured parts, EnSight will assign ids if you return a
- status of TRUE here. You cannot assign them youself!!
-
-
---------------------------------------------------------------------
-USERD_get_geom_timeset_number -
-
- Description:
- -----------
- Gets the timeset number to be used for geometry
-
- Specification:
- -------------
- int USERD_get_geom_timeset_number( void )
-
- Returns:
- -------
- Geom_timeset_number = The timeset number that will be used for geometry.
- For example, if USERD_get_number_of timesets
- returns 2, the valid timeset numbers would be
- 1 or 2.
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * If your model is static, which you indicated by returning a zero
- in USERD_get_number_of_timesets, you can return a zero here as well.
-
-
-
---------------------------------------------------------------------
-USERD_get_gold_part_build_info
-
- Description:
- -----------
- Gets the info needed for the part building process.
-
- Specification:
- -------------
- int USERD_get_gold_part_build_info(int *part_id,
- int *part_types,
- char *part_description[Z_BUFL],
- int *number_of_nodes,
- int *number_of_elements[Z_MAXTYPE],
- int *ijk_dimensions[3],
- int *iblanking_options[6])
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) part_id = Array containing the external part
- ids for each of the model parts.
-
- IMPORTANT:
- Parts numbers must be >= 1, because
- of the way they are used in the GUI
-
- *******************************************
- The ids provided here are the numbers by
- which the parts will be referred to in the
- GUI (if possible). They are basically
- labels as far as you are concerned.
-
- Note: The part numbers you pass to routines
- which receive a part_number or block_number
- or which_part as an argument are the 1-based
- table index of the parts!
-
- example: If Numparts_available = 3
-
- Table index part_id
- ----------- -------
- 1 13
- 2 57
- 3 125
-
- ^ ^
- | |
- | These are placed in:
- | part_id[0] = 13
- | part_id[1] = 57
- | part_id[2] = 125
- | for GUI labeling purposes.
- |
- These implied table indices are the part_number,
- block_number, or which_part numbers that you would
- pass to routines like:
-
- USERD_get_part_coords(int part_number,...
- USERD_get_part_node_ids(int part_number,...
- USERD_get_part_elements_by_type(int part_number,...
- USERD_get_part_element_ids_by_type(int part_number,...
- USERD_get_block_coords_by_component(int block_number,...
- USERD_get_block_iblanking(int block_number,...
- USERD_get_block_ghost_flags(int block_number,...
- USERD_get_ghosts_in_block_flag(int block_number)
- USERD_get_border_availability( int part_number,...
- USERD_get_border_elements_by_type( int part_number,...
- USERD_get_var_by_component(int which_variable,
- int which_part,...
- USERD_get_var_value_at_specific(int which_var,
- int which_node_or_elem,
- int which_part,...
- ********************************************
-
- (Array will have been allocated
- Numparts_available long)
-
- (OUT) part_types = Array containing one of the
- following for each model part:
-
- Z_UNSTRUCTURED or
- Z_STRUCTURED or
- Z_IBLANKED
-
- (Array will have been allocated
- Numparts_available long)
-
- (OUT) part_description = Array containing a description
- for each of the model parts
-
- (Array will have been allocated
- Numparts_available by Z_BUFL
- long)
-
- (OUT) number_of_nodes = Number of unstructured nodes in the part
-
- (Array will have been allocated
- Numparts_available long)
-
- (OUT) number_of_elements = 2D array containing number of
- each type of element for each
- unstructured model part.
- ------------
- Possible types are:
-
- Z_POINT = point
- Z_BAR02 = 2-noded bar
- Z_BAR03 = 3-noded bar
- Z_TRI03 = 3-noded triangle
- Z_TRI06 = 6-noded triangle
- Z_QUA04 = 4-noded quadrilateral
- Z_QUA08 = 8-noded quadrilateral
- Z_TET04 = 4-noded tetrahedron
- Z_TET10 = 10-noded tetrahedron
- Z_PYR05 = 5-noded pyramid
- Z_PYR13 = 13-noded pyramid
- Z_PEN06 = 6-noded pentahedron
- Z_PEN15 = 15-noded pentahedron
- Z_HEX08 = 8-noded hexahedron
- Z_HEX20 = 20-noded hexahedron
-
- (Ignored unless Z_UNSTRUCTURED type)
-
- (Array will have been allocated
- Numparts_available by
- Z_MAXTYPE long)
-
- (OUT) ijk_dimensions = 2D array containing ijk dimensions
- for each structured model part.
- ----------
- (Ignored if Z_UNSTRUCTURED type)
-
- (Array will have been allocated
- Numparts_available by 3 long)
-
- ijk_dimensions[][0] = I dimension
- ijk_dimensions[][1] = J dimension
- ijk_dimensions[][2] = K dimension
-
- (OUT) iblanking_options = 2D array containing iblanking
- options possible for each
- structured model part.
- ----------
- (Ignored unless Z_IBLANKED type)
-
- (Array will have been allocated
- Numparts_available by 6 long)
-
- iblanking_options[][Z_EXT] = TRUE if external (outside)
- [][Z_INT] = TRUE if internal (inside)
- [][Z_BND] = TRUE if boundary
- [][Z_INTBND] = TRUE if internal boundary
- [][Z_SYM] = TRUE if symmetry surface
-
-
- Notes:
- -----
- * If you haven't built a table of pointers to the different parts,
- you might want to do so here as you gather the needed info.
-
- * Will be based on Current_time_step
-
-
---------------------------------------------------------------------
-USERD_get_gold_variable_info
-
- Description:
- -----------
- Get the variable descriptions, types and filenames
-
- Specification:
- -------------
- int USERD_get_gold_variable_info(char **var_description,
- char **var_filename,
- int *var_type,
- int *var_classify,
- int *var_complex,
- char **var_ifilename,
- float *var_freq,
- int *var_contran,
- int *var_timeset)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) var_description = Variable descriptions
-
- (Array will have been allocated
- Num_variables by Z_BUFL long)
-
- variable description restrictions:
- ----------------------------------
- 1. Only first 19 characters used in EnSight.
- 2. Leading and trailing whitespace will be removed by EnSight.
- 3. Illegal characters will be replaced by underscores.
- 4. Thay may not start with a numeric digit.
- 4. No two variables may have the same description.
-
-
- (OUT) var_filename = Variable real filenames
-
- (Array will have been allocated
- Num_variables by Z_BUFL long)
-
- (OUT) var_type = Variable type
-
- (Array will have been allocated
- Num_variables long)
-
- types are: Z_CONSTANT
- Z_SCALAR
- Z_VECTOR
- Z_TENSOR
- Z_TENSOR9
-
- (OUT) var_classify = Variable classification
-
- (Array will have been allocated
- Num_variables long)
-
- types are: Z_PER_NODE
- Z_PER_ELEM
-
- (OUT) var_complex = TRUE if complex, FALSE otherwise
-
- (Array will have been allocated
- Num_variables long)
-
- (OUT) var_ifilename = Variable imaginary filenames (if complex)
-
- (Array will have been allocated
- Num_variables by Z_BUFL long)
-
- (OUT) var_freq = complex frequency (if complex)
-
- (Array will have been allocated
- Num_variables long)
-
- (OUT) var_contran = TRUE if constant changes per time step
- FALSE if constant truly same at all time steps
-
- (Array will have been allocated
- Num_variables long)
-
- (OUT) var_timeset = Timeset the variable will use (1 based).
- (For static models, set it to 1)
-
- (Array will have been allocated
- Num_variables long)
-
- For example: If USERD_get_number_of_timesets
- returns 2, the valid
- timeset_number's would be 1 or 2
-
-
- Notes:
- -----
- * The implied variable numbers apply, but be aware that the
- arrays are zero based.
- So for variable 1, will need to provide var_description[0]
- var_filename[0]
- var_type[0]
- var_classify[0]
- var_complex[0]
- var_ifilename[0]
- var_freq[0]
- var_contran[0]
- var_timeset[0]
-
-
- for variable 2, will need to provide var_description[1]
- var_filename[1]
- var_type[1]
- var_classify[1]
- var_complex[1]
- var_ifilename[1]
- var_freq[1]
- var_contran[1]
- var_timeset[1]
- etc.
-
-
---------------------------------------------------------------------
-USERD_get_maxsize_info
-
- Description:
- -----------
- Gets maximum part sizes for efficient memory allocation.
-
- Transient models (especially those that increase in size) can cause
- reallocations, at time step changes, to keep chewing up more and
- more memory. The way to avoid this is to know what the maximum
- size of such memory will be, and allocate for this maximum initially.
-
- Accordingly, if you choose to provide this information (it is optional),
- EnSight will take advantage of it.
-
-
- Specification:
- -------------
- int USERD_get_maxsize_info(int *max_number_of_nodes,
- int *max_number_of_elements[Z_MAXTYPE],
- int *max_ijk_dimensions[3])
-
- Returns:
- -------
- Z_OK if supplying maximum data
- Z_ERR if not supplying maximum data, or some error occurred
- while trying to obtain it.
-
- Arguments:
- ---------
- (OUT) max_number_of_nodes = Maximum number of unstructured nodes
- in the part (over all time).
-
- (Array will have been allocated
- Numparts_available long)
-
- (OUT) max_number_of_elements = 2D array containing maximum number of
- each type of element for each
- unstructured model part (over all time).
- ------------
- Possible types are:
-
- Z_POINT = point
- Z_BAR02 = 2-noded bar
- Z_BAR03 = 3-noded bar
- Z_TRI03 = 3-noded triangle
- Z_TRI06 = 6-noded triangle
- Z_QUA04 = 4-noded quadrilateral
- Z_QUA08 = 8-noded quadrilateral
- Z_TET04 = 4-noded tetrahedron
- Z_TET10 = 10-noded tetrahedron
- Z_PYR05 = 5-noded pyramid
- Z_PYR13 = 13-noded pyramid
- Z_PEN06 = 6-noded pentahedron
- Z_PEN15 = 15-noded pentahedron
- Z_HEX08 = 8-noded hexahedron
- Z_HEX20 = 20-noded hexahedron
-
- (Ignored unless Z_UNSTRUCTURED type)
-
- (Array will have been allocated
- Numparts_available by
- Z_MAXTYPE long)
-
- (OUT) max_ijk_dimensions = 2D array containing maximum ijk dimensions
- for each structured model part (over all time).
- ----------
- (Ignored if Z_UNSTRUCTURED type)
-
- (Array will have been allocated
- Numparts_available by 3 long)
-
- max_ijk_dimensions[][0] = maximum I dimension
- max_ijk_dimensions[][1] = maximum J dimension
- max_ijk_dimensions[][2] = maximum K dimension
-
- Notes:
- -----
- * You need to have first called USERD_get_number_of_model_parts and
- USERD_get_gold_part_build_info, so Numparts_available is known and
- so EnSight will know what the type is (Z_UNSTRUCTURED, Z_STRUCTURED,
- or Z_IBLANKED) of each part.
-
- * This will NOT be based on Current_time_step - it is to be the maximum
- values over all time!!
-
- * This information is optional. If you return Z_ERR, Ensight will still
- process things fine, reallocating as needed, etc. However, for
- large transient models you will likely use considerably more memory
- and take more processing time for the memory reallocations. So, if it
- is possible to provide this information "up front", it is recommended
- to do so.
-
-
-
-
---------------------------------------------------------------------
-USERD_get_model_extents
-
- Description:
- -----------
- Gets the model bounding box extents. If this routine supplys them
- EnSight will not have to spend time doing so. If this routine
- returns Z_ERR, EnSight will have to take the time to touch all the
- nodes and gather the extent info.
-
- Specification:
- -------------
- int USERD_get_model_extents(float extents[6])
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful (whereupon EnSight will determine by reading
- all coords of all parts)
-
- Arguments:
- ---------
- (OUT) extents[0] = min x
- [1] = max x
- [2] = min y
- [3] = max y
- [4] = min z
- [5] = max z
-
- Notes:
- -----
- * This will be based on Current_time_step
-
-
---------------------------------------------------------------------
-USERD_get_name_of_reader
-
- Description:
- -----------
- Gets the name of your user defined reader. The user interface will
- ask for this and include it in the available reader list.
-
- Specification:
- -------------
- int USERD_get_name_of_reader(char reader_name[Z_MAX_USERD_NAME],
- int *two_fields)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) reader_name = the name of the your reader or data format.
- (max length is Z_MAX_USERD_NAME, which is 20)
-
- (OUT) *two_fields = FALSE if only one data field required
- in the data dialog of EnSight.
- TRUE if two data fields required.
-
- Notes:
- -----
- * Always called. Please be sure to provide a name for your custom
- reader format.
-
-
-
---------------------------------------------------------------------
-USERD_get_node_label_status
-
- Description:
- -----------
- Answers the question as to whether node labels will be provided.
-
- Specification:
- -------------
- int USERD_get_node_label_status( void )
-
- Returns:
- -------
- TRUE if node labels will be provided
- FALSE if node labels will NOT be provided
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * Node ids are needed in order to do any node querying, or node
- labeling on-screen within EnSight.
-
- For unstructured parts, you can read them from your file if
- available, or can assign them, etc. They need to be unique
- per part, and are often unique per model. They must also be
- positive numbers greater than zero.
-
- USERD_get_part_node_ids is used to obtain the ids, if the
- status returned here is TRUE.
-
- (Unlike API 1.0, where the connectivity of elements had to be
- according to the node ids - API 2.0's element connectivities
- are not affected either way by the status here.)
-
- For structured parts, EnSight will assign ids if you return a
- status of TRUE here. You cannot assign them yourself!!
-
-
-
---------------------------------------------------------------------
-USERD_get_num_of_time_steps
-
- Description:
- -----------
- Gets the number of time steps of data available for desired timeset.
-
- Specification:
- -------------
- int USERD_get_num_of_time_steps( int timeset_number )
-
- Returns:
- -------
- Number of time steps in timeset (>0 if okay, <=0 if problems).
-
- Arguments:
- ---------
- (IN) timeset number = the timeset number
-
- For example: If USERD_get_number_of_timesets
- returns 2, the valid
- timeset_number's would be 1 and 2
-
- Notes:
- -----
- * This should be >= 1 1 indicates a static model
- >1 indicates a transient model
-
- * Num_time_steps[timeset_number] would be set here
-
-
-
---------------------------------------------------------------------
-USERD_get_number_of_files_in_dataset
-
- Description:
- -----------
- Get the total number of files in the dataset. Used for the
- dataset query option within EnSight.
-
- Specification:
- -------------
- int USERD_get_number_of_files_in_dataset( void )
-
- Returns:
- -------
- The total number of files in the dataset.
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * You can be as complete as you want about this. If you don't
- care about the dataset query option, return a value of 0
- If you only want certain files, you can just include them. But,
- you will need to supply the info in USERD_get_dataset_query_file_info
- for each file you include here.
-
- * Num_dataset_files would be set here
-
-
-
---------------------------------------------------------------------
-USERD_get_number_of_model_parts
-
- Description:
- -----------
- Gets the total number of unstructured and structured parts
- in the model, for which you can supply information.
-
- Specification:
- -------------
- int USERD_get_number_of_model_parts( void )
-
- Returns:
- -------
- Number of parts (>0 if okay, <=0 if problems).
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * If going to have to read down through the parts in order to
- know how many, you may want to build a table of pointers to
- the various parts, so you can easily get to particular parts in
- later processes. If you can simply read the number of parts
- at the head of the file, then you would probably not build the
- table at this time.
-
- * This routine would set Numparts_available, which is equal to
- Num_unstructured_parts + Num_structured_blocks.
-
-
-
---------------------------------------------------------------------
-USERD_get_number_of_timesets
-
- Description:
- -----------
- Gets the number of timesets used in the model.
-
- Specification:
- -------------
- int USERD_get_number_of_timesets( void )
-
- Returns:
- -------
- Number of timesets in the model
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * Num_timesets would be set here
-
- * If you have a static model, both geometry and variables, you should
- return a value of zero.
-
- * If you have a transient model, then you should return one or more.
-
- For example:
-
- Geometry Variables No. of timesets
- --------- ------------------------------ ---------------
- static static 0
- static transient, all using same timeset 1
-
- transient transient, all using same timeset as geom 1
-
- static transient, using 3 different timesets 3
-
- transient transient, using 3 different timesets and
- none of them the same as the
- geometry timeset 4
- etc.
-
- NOTE: ALL GEOMETRY MUST USE THE SAME TIMESET!!! You will have to provide
- the timeset number to use
- for geometry in:
- USERD_get_geom_timeset_number
-
- Variables can use the same timeset as the geometry, or can use
- other timesets. More than one variable can use the same timeset.
-
- example: changing geometry at 5 steps, 0.0, 1.0, 2.0, 3.0, 4.0
- variable 1 provided at these same five steps
- variable 2 provided at 3 steps, 0.5, 1.25, 3.33
-
- This routine should return a value of 2, because only
- two different timesets are needed. Timeset 1 would be for the
- geometry and variable 1 (they both use it). Timeset 2 would
- be for variable 2, which needs its own in this case.
-
-
-
-
-
---------------------------------------------------------------------
-USERD_get_number_of_variables
-
- Description:
- -----------
- Get the number of variables for which you will be providing info.
-
- Specification:
- -------------
- int USERD_get_number_of_variables( void )
-
- Returns:
- -------
- Number of variables (includes constant, scalar, vector and tensor types)
- (>=0 if okay, <0 if problem)
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- *****************************************************************
- * Variable numbers, by which references will be made, are implied
- here. If you say there are 3 variables, the variable numbers
- will be 1, 2, and 3.
- *****************************************************************
-
- * Num_variables would be set here
-
-
-
---------------------------------------------------------------------
-USERD_get_part_coords
-
- Description:
- -----------
- Gets the coordinates for an unstructured part.
-
- Specification:
- -------------
- int USERD_get_part_coords(int part_number, float **coord_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) part_number = The part number
- (1-based index of part table, namely:
-
- 1 ... Numparts_available.
-
- It is NOT the part_id that
- is loaded in USERD_get_gold_part_build_info)
-
- (OUT) coord_array = 2D float array which contains,
- x,y,z coordinates of each node
- in the part.
-
- (IMPORTANT: The second dimension of this aray is 1-based!!!)
-
- (Array will have been allocated
- 3 by (number_of_nodes + 1) for the part
- long - see USERD_get_gold_part_build_info)
-
-
- ex) If number_of_nodes = 100
- as obtained in:
- USERD_get_gold_part_build_info
-
- Then the allocated dimensions of the
- pointer sent to this routine will be:
- coord_array[3][101]
-
- Ignore the coord_array[0][0]
- coord_array[1][0]
- coord_array[2][0] locations and start
- the node coordinates at:
- coord_array[0][1]
- coord_array[1][1]
- coord_array[2][1]
-
- coord_array[0][2]
- coord_array[1][2]
- coord_array[2][2]
-
- etc.
-
- Notes:
- -----
- * Not called unless Num_unstructured_parts is > 0
-
- * Will be based on Current_time_step
-
-
---------------------------------------------------------------------
-USERD_get_part_element_ids_by_type
-
- Description:
- -----------
- Gets the ids for the elements of a particular type for an unstructured part.
-
- Specification:
- -------------
- int USERD_get_part_element_ids_by_type(int part_number,
- int element_type,
- int *elemid_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) part_number = The part number
- (1-based index of part table, namely:
-
- 1 ... Numparts_available.
-
- It is NOT the part_id that
- is loaded in USERD_get_gold_part_build_info)
-
- (IN) element_type = One of the following (See global_extern.h)
- Z_POINT node point element
- Z_BAR02 2 node bar
- Z_BAR03 3 node bar
- Z_TRI03 3 node triangle
- Z_TRI06 6 node triangle
- Z_QUA04 4 node quad
- Z_QUA08 8 node quad
- Z_TET04 4 node tetrahedron
- Z_TET10 10 node tetrahedron
- Z_PYR05 5 node pyramid
- Z_PYR13 13 node pyramid
- Z_PEN06 6 node pentahedron
- Z_PEN15 15 node pentahedron
- Z_HEX08 8 node hexahedron
- Z_HEX20 20 node hexahedron
-
- (OUT) elemid_array = 1D array containing id of each
- element of the type.
-
- (Array will have been allocated
- number_of_elements of the type long)
-
- ex) If number_of_elements[Z_TRI03] = 25
- number_of_elements[Z_QUA04] = 100
- number_of_elements[Z_HEX08] = 30
- as obtained in:
- USERD_get_gold_part_build_info
-
- Then the allocated dimensions available
- for this routine will be:
- conn_array[25] when called with Z_TRI03
-
- conn_array[100] when called with Z_QUA04
-
- conn_array[30] when called with Z_HEX08
-
- Notes:
- -----
- * Not called unless Num_unstructured_parts is > 0 and element
- label status is TRUE
-
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_part_elements_by_type
-
- Description:
- -----------
- Gets the connectivities for the elements of a particular type in an
- unstructured part
-
- Specification:
- -------------
- int USERD_get_part_elements_by_type(int part_number,
- int element_type,
- int **conn_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) part_number = The part number
- (1-based index of part table, namely:
-
- 1 ... Numparts_available.
-
- It is NOT the part_id that
- is loaded in USERD_get_gold_part_build_info)
-
- (IN) element_type = One of the following (See global_extern.h)
- Z_POINT node point element
- Z_BAR02 2 node bar
- Z_BAR03 3 node bar
- Z_TRI03 3 node triangle
- Z_TRI06 6 node triangle
- Z_QUA04 4 node quad
- Z_QUA08 8 node quad
- Z_TET04 4 node tetrahedron
- Z_TET10 10 node tetrahedron
- Z_PYR05 5 node pyramid
- Z_PYR13 13 node pyramid
- Z_PEN06 6 node pentahedron
- Z_PEN15 15 node pentahedron
- Z_HEX08 8 node hexahedron
- Z_HEX20 20 node hexahedron
-
- (OUT) conn_array = 2D array containing connectivity
- of each element of the type.
-
- (Array will have been allocated
- num_of_elements of the type by
- connectivity length of the type)
-
- ex) If number_of_elements[Z_TRI03] = 25
- number_of_elements[Z_QUA04] = 100
- number_of_elements[Z_HEX08] = 30
- as obtained in:
- USERD_get_gold_part_build_info
-
- Then the allocated dimensions available
- for this routine will be:
- conn_array[25][3] when called with Z_TRI03
-
- conn_array[100][4] when called with Z_QUA04
-
- conn_array[30][8] when called with Z_HEX08
-
- Notes:
- -----
- * Not called unless Num_unstructured_parts is > 0
-
- * Will be based on Current_time_step
-
-
---------------------------------------------------------------------
-USERD_get_part_node_ids
-
- Description:
- -----------
- Gets the node ids of an unstructured part.
-
- Specification:
- -------------
- int USERD_get_part_node_ids(int part_number, int *nodeid_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) part_number = The part number
- (1-based index of part table, namely:
-
- 1 ... Numparts_available.
-
- It is NOT the part_id that
- is loaded in USERD_get_gold_part_build_info)
-
- (OUT) nodeid_array = 1D array containing node ids of
- each node in the part.
-
- (IMPORTANT: This array is 1-based!!!)
-
- (Array will have been allocated
- (number_of_nodes + 1) for the part long
- see USERD_get_gold_part_build_info)
-
- ex) If number_of_nodes = 100
- as obtained in:
- USERD_get_gold_part_build_info
-
- Then the allocated dimensions of the
- pointer sent to this routine will be:
- nodeid_array[101]
-
- Ignore the nodeid_array[0] location and start
- the node ids at:
- nodeid_array[1]
-
- nodeid_array[2]
-
- etc.
-
- Notes:
- -----
- * Not called unless Num_unstructured_parts is > 0 and node label
- status is TRUE
-
- * Will be based on Current_time_step
-
- * The ids are purely labels, used when displaying or querying node ids.
- However, any node id < 0 will never be displayed
-
-
---------------------------------------------------------------------
-USERD_get_reader_descrip
-
- Description:
- -----------
- Gets the description of the reader, so gui can give more info
-
- Specification:
- -------------
- int USERD_get_reader_descrip(char descrip[Z_MAXFILENP])
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) descrip = the description of the reader (max length is MAXFILENP,
- which is 255)
-
- Notes:
- -----
- * OPTIONAL ROUTINE! You can have it or not.
-
-
---------------------------------------------------------------------
-USERD_get_reader_version
-
- Description:
- -----------
- Gets the version number of the user defined reader
-
- Specification:
- -------------
- int USERD_get_reader_version(char version_number[Z_MAX_USERD_NAME])
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful (and will assume is version 1.0)
-
- Arguments:
- ---------
- (OUT) version_number = the version number of the reader
- (max length is Z_MAX_USERD_NAME, which
- is 20)
-
- Notes:
- -----
- * This needs to be "2.000" or greater. Otherwise EnSight will assume
- this reader is API 1.0 instead of 2.0
-
-
-
---------------------------------------------------------------------
-USERD_get_sol_times
-
- Description:
- -----------
- Get the solution times associated with each time step for
- desired timeset.
-
- Specification:
- -------------
- int USERD_get_sol_times(int timeset_number,
- float *solution_times)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) timeset_number = the timeset number
-
- For example: If USERD_get_number_of_timesets
- returns 2, the valid
- timeset_number's would be 1 and 2
-
- (OUT) solution_times = 1D array of solution times per time step
-
- (Array will have been allocated
- Num_time_steps[timeset_number] long)
-
- Notes:
- -----
- * The solution times must be non-negative and increasing.
-
-
-
---------------------------------------------------------------------
-USERD_get_timeset_description -
-
- Description:
- -----------
- Get the description to associate with the desired timeset.
-
- Specification:
- -------------
- int USERD_get_timeset_description(int timeset_number,
- char timeset_description[Z_BUFL])
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) timeset_number = the timeset number
-
- For example: If USERD_get_number_of_timesets
- returns 2, the valid
- timeset_number's would be 1 and 2
-
- (OUT) timeset_description = timeset description string
-
-
- Notes:
- -----
- * A string of NULLs is valid for timeset_description
-
-
-
-
---------------------------------------------------------------------
-USERD_get_var_by_component
-
- Description:
- -----------
- Gets the values of a variable component. Both unstructured and structured
- parts use this routine.
-
- if Z_PER_NODE:
- Get the component value at each node for a given variable in the part.
-
- or if Z_PER_ELEM:
- Get the component value at each element of a specific part and type
- for a given variable.
-
- Specification:
- -------------
- int USERD_get_var_by_component(int which_variable,
- int which_part,
- int var_type,
- int which_type,
- int imag_data,
- int component,
- float *var_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- or: Z_UNDEF, in which case you need not load any values into var_array
-
-
- Arguments:
- ---------
- (IN) which_variable = The variable number
-
- (IN) which_part Since EnSight Version 7.4
- -------------------------
- = The part number
-
- (1-based index of part table, namely:
-
- 1 ... Numparts_available.
-
- It is NOT the part_id that
- is loaded in USERD_get_gold_part_build_info)
-
- Prior to EnSight Version 7.4
- ----------------------------
- = The part id This is the part_id label loaded
- in USERD_get_gold_part_build_info.
- It is NOT the part table index.
-
- (IN) var_type = Z_SCALAR
- Z_VECTOR
- Z_TENSOR (symmetric tensor)
- Z_TENSOR9 (asymmetric tensor)
-
- (IN) which_type
-
- if Z_PER_NODE: Not used
-
- if Z_PER_ELEM: = The element type
- Z_POINT node point element
- Z_BAR02 2 node bar
- Z_BAR03 3 node bar
- Z_TRI03 3 node triangle
- Z_TRI06 6 node triangle
- Z_QUA04 4 node quad
- Z_QUA08 8 node quad
- Z_TET04 4 node tetrahedron
- Z_TET10 10 node tetrahedron
- Z_PYR05 5 node pyramid
- Z_PYR13 13 node pyramid
- Z_PEN06 6 node pentahedron
- Z_PEN15 15 node pentahedron
- Z_HEX08 8 node hexahedron
- Z_HEX20 20 node hexahedron
-
- (IN) imag_data = TRUE if imag component
- FALSE if real component
-
- (IN) component = The component: (0 if Z_SCALAR)
- (0 - 2 if Z_VECTOR)
- (0 - 5 if Z_TENSOR)
- (0 - 8 if Z_TENSOR9)
-
- * 6 Symmetric Indicies, 0:5 *
- * ---------------------------- *
- * | 11 12 13 | | 0 3 4 | *
- * | | | | *
- * T = | 22 23 | = | 1 5 | *
- * | | | | *
- * | 33 | | 2 | *
-
-
- * 9 General Indicies, 0:8 *
- * ---------------------------- *
- * | 11 12 13 | | 0 3 4 | *
- * | | | | *
- * T = | 21 22 23 | = | 6 1 5 | *
- * | | | | *
- * | 31 32 33 | | 7 8 2 | *
-
- (OUT) var_array
-
- -----------------------------------------------------------------------
- (IMPORTANT: this array is 1-based for both Z_PER_NODE and Z_PER_ELEM!!!)
- -----------------------------------------------------------------------
-
- if Z_PER_NODE: = 1D array containing variable component value
- for each node.
-
- (Array will have been allocated
- (number_of_nodes + 1) long)
-
- Info stored in this fashion:
- var_array[0] = not used
- var_array[1] = var component for node 1 of part
- var_array[2] = var_component for node 2 of part
- var_array[3] = var_component for node 3 of part
- etc.
-
- if Z_PER_ELEM: = 1D array containing variable component
- value for each element of a particular
- part and type.
-
- (Array will have been allocated
- (number_of_elements[which_part][which_type] + 1)
- long. See USERD_get_gold_part_build_info)
-
- Info stored in this fashion:
- var_array[1] = var component for elem 1 (of part and type)
- var_array[2] = var component for elem 2 (of part and type)
- var_array[3] = var component for elem 3 (of part and type)
- etc.
-
- Notes:
- -----
- * Not called unless Num_variables is > 0
-
- * The per_node or per_elem classification must be obtainable from the
- variable number (a var_classify array needs to be retained)
-
- * Will be based on Current_time_step
-
- * If the variable is not defined for this part, simply return with a
- value of Z_UNDEF. EnSight will treat the variable as undefined for
- this part.
-
-
---------------------------------------------------------------------
-USERD_get_var_value_at_specific
-
- Description:
- -----------
- if Z_PER_NODE:
- Get the value of a particular variable at a particular node in a
- particular part at a particular time.
-
- or if Z_PER_ELEM:
- Get the value of a particular variable at a particular element of
- a particular type in a particular part at a particular time.
-
-
- Specification:
- -------------
- int USERD_get_var_value_at_specific(int which_var,
- int which_node_or_elem,
- int which_part,
- int which_elem_type,
- int time_step,
- float values[3],
- int imag_data)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) which_var = The variable number
-
- (IN) which_node_or_elem
-
- If Z_PER_NODE:
- = The node number. This is not the id, but is
- the index of the global node
- list (1 based), or the block's
- node list (1 based).
-
- Thus, coord_array[1]
- coord_array[2]
- coord_array[3]
- . |
- . |which_node_or_elem index
- . ----
-
-
- If Z_PER_ELEM:
- = The element number. This is not the id, but is
- the element number index
- of the number_of_element array
- (see USERD_get_gold_part_build_info),
- or the block's element list (1 based).
-
- Thus, for which_part:
- conn_array[which_elem_type][0]
- conn_array[which_elem_type][1]
- conn_array[which_elem_type][2]
- . |
- . which_node_or_elem index
- . ----
-
-
- (IN) which_part Since EnSight Version 7.4
- -------------------------
- = The part number
-
- (1-based index of part table, namely:
-
- 1 ... Numparts_available.
-
- It is NOT the part_id that
- is loaded in USERD_get_gold_part_build_info)
-
- Prior to EnSight Version 7.4
- ----------------------------
- = The part id This is the part_id label loaded
- in USERD_get_gold_part_build_info.
- It is NOT the part table index.
-
- (IN) which_elem_type
-
- If Z_PER_NODE, or block part:
- = Not used
-
- If Z_PER_ELEM:
- = The element type. This is the element type index
- of the number_of_element array
- (see USERD_get_gold_part_build_info)
-
- (IN) time_step = The time step
-
- (IN) imag_data = TRUE if want imaginary value.
- FALSE if want real value.
-
- (OUT) values = scalar or vector component value(s)
- values[0] = scalar or vector[0]
- values[1] = vector[1]
- values[2] = vector[2]
-
-
- Notes:
- -----
- * This routine is used in node querys over time (or element querys over
- time for Z_PER_ELEM variables). If these operations are not critical
- to you, this can be a dummy routine.
-
- * The per_node or per_elem classification must be obtainable from the
- variable number (a var_classify array needs to be retained)
-
- * The time step given is for the proper variable timeset.
-
-
---------------------------------------------------------------------
-USERD_set_filenames
-
- Description:
- -----------
- Receives the geometry and result filenames entered in the data
- dialog. The user written code will have to store and use these
- as needed. The user written code must manage its own files!!
-
- Specification:
- -------------
- int USERD_set_filenames(char filename_1[],
- char filename_2[],
- char the_path[],
- int swapbytes)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) filename_1 = the filename entered into the geometry
- field of the data dialog.
-
- (IN) filename_2 = the filename entered into the result
- field of the data dialog.
- (If the two_fields flag in USERD_get_name_of_reader
- is FALSE, this will be null string)
-
- (IN) the_path = the path info from the data dialog.
- Note: filename_1 and filename_2 have already
- had the path prepended to them. This
- is provided in case it is needed for
- filenames contained in one of the files
-
- (IN) swapbytes = TRUE if should swap bytes when reading data.
- = FALSE normally.
-
- Notes:
- -----
- * Since you must manage everything from the input that is entered in
- these data dialog fields, this is an important routine!
-
- * It may be that you will need to have an executive type file that contains
- info and other filenames within it, like EnSight6's case file.
-
-
---------------------------------------------------------------------
-USERD_set_server_number
-
- Description:
- -----------
- Receives the server number of how many total servers.
-
- Specification:
- -------------
- int USERD_set_server_number(int cur_serv,
- int tot_servs)
-
- Returns:
- -------
- nothing
-
- Arguments:
- ---------
- (IN) cur_serv = the current server.
-
- (IN) tot_servs = the total number of servers.
-
- Notes:
- -----
- * Only useful if your user defined reader is being used with EnSight's
- Server-of-Server capability. And even then, it may or may not be
- something that you can take advantage of. If your data is already
- partitioned in some manner, such that you can access the proper
- portions using this information.
-
- For all non-SOS uses, this will simply be 1 of 1
-
-
-
---------------------------------------------------------------------
-USERD_set_time_set_and_step
-
- Description:
- -----------
- Set the current time step in the desired timeset. All functions that
- need time, and that do not explicitly pass it in, will use the timeset
- and step set by this routine, if needed.
-
- Specification:
- -------------
- void USERD_set_time_set_and_step(int timeset_number,
- int time_step)
-
- Returns:
- -------
- nothing
-
- Arguments:
- ---------
- (IN) timeset_number = the timeset number (1 based).
-
- For example: If USERD_get_number_of_timesets
- returns 2, the valid timeset_number's
- would be 1 and 2.
-
- (IN) time_step = The current time step to set
-
- Notes:
- -----
- * Current_time_step and Current_timeset would be set here
-
-
-
---------------------------------------------------------------------
-USERD_stop_part_building
-
- Description:
- -----------
- This routine called when the part building dialog is closed. It is
- provided in case you desire to release memory, etc. that was only needed
- during the part building process.
-
- Specification:
- -------------
- void USERD_stop_part_building( void )
-
- Returns:
- -------
- nothing
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
-
-
----- end of doucment ----
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/README_USERD_2.01 b/applications/utilities/postProcessing/graphics/ensightFoamReader/README_USERD_2.01
deleted file mode 100644
index e76880e..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/README_USERD_2.01
+++ /dev/null
@@ -1,2787 +0,0 @@
-README_USERD_2.01
-=================
---------------------------------------
-EnSight User Defined Reader Capability ===> (API 2.01)
---------------------------------------
-A user defined reader capability is included in EnSight which can allow
-otherwise unsupported structured or unstructured data to be read. The user
-defined reader capability utilizes dynamic shared libraries composed of
-routines defined in this document but produced by you, the user, (or some
-third party). This capability is currently available for dec, ibm, hp, sgi,
-sun, linux, alpha linux, and NT servers.
-
-You should refer to beginning of README_USERD_2.0 and/or README_1.0_to_2.0
-for a discussion of the differences between API 1.0 and API 2.*.
-
-
-***>> API 2.01 adds the capabilty of handling ghost cells.
-
-
-API 2.01 (defined in this README_USERD_2.01 document)
-========
-This new API has been defined to be more efficient and includes access to new
-capabilities of EnSight 7.4. It lends itself closely to the EnSight "gold"
-type format.
-
-Some of its advantages are::
-
- * Most intermediate temporary arrays have been eliminated, such that the user
- defined routines write directly into internal part structures. This is a
- considerable improvement in memory use, and improves speed as well since
- far less memory need be allocated, initialized, etc.
-
- * Parts are self contained. Coordinates, connectivity and all variables are
- provided on a part basis. This eliminates the need for several global to
- local coordinate mapping operations and the need for node id connectivity
- hashing. This can greatly improve the speed at which models are loaded.
-
- * Model extents can be provided directly, such that EnSight need not read
- all the coordinate data at load time.
-
- * Tensor variables are supported
-
- * Complex variables are supported
-
- * A routine is provided as EnSight exits, so cleanup operations such as
- removing temporary files can be easily accomplished.
-
- * Geometry and variables can be provided on different time lines (timesets).
-
- * If your data format already provides boundary shell information, you can
- use it instead of the "border" representation that EnSight would compute.
-
- * Ghost cells are supported, for both unstructured and structured models.
-
-
-****************************************************************************
-Note: A default dummy_gold reader and an Ensight Gold example of this new 2.01
- user defined reader API has been included with your EnSight release.
- Also, the SILO and ExodusII_gold reader included in the release
- utilizes the 2.01 API.
-****************************************************************************
-
-
-The process for producing a user defined reader is:
----------------------------------------------------
-1. Write code for all pertinent routines in the library (Unless someone else
- has done this for you).
-
- This is of course where the work is done by the user. The word
- "pertinent" is used because depending on the nature of the data, some
- of the routines in the library may be dummy routines.
-
- The source code for a dummy_gold library and for various other
- working or sample libraries is copied from the installation CD during
- installation. These will be located in directories under:
-
- $CEI_HOME/ensight76/user_defined_src/readers
-
- examples:
- --------
- Basic dummy_gold routines provide skeleton for a new reader
- $CEI_HOME/ensight76/user_defined_src/readers/dummy_gold
-
- Sample library which reads unstructured binary EnSight Gold data
- $CEI_HOME/ensight76/user_defined_src/readers/ensight_gold
-
- You may find it useful to place your library source in this area as
- well, but are not limited to this location.
-
- * ===> The descriptions of each library routine and the order that the
- routines are called, which is provided in this file, along with
- the example libraries, should make it possible for you to produce
- code for your own data reader.
-
-
-2. Produce the dynamic shared library.
-
- This is a compiling and loading process which varies according to
- the type of machine you are on. In the user-defined-reader source
- tree we have tried to isolate the machine dependent parts of the
- build process using a set of files in the 'config' directory. In this
- directory there is a configuration file for each platform on which
- EnSight is supported. Before you can compile the installed readers
- you should run the script called 'init' in the config directory.
-
- i.e. (for UNIX)
- cd config
- ./init sgi_6.5_n64
- cd ..
- make
-
- If you are compiling for Windows NT, there are two options. If you
- have the Cygwin GNU utilities installed, you can use GNU make as for
- Unix. Otherwise, there is a script called makeall.cmd which will
- build all of the readers using nmake. The Makefiles in each reader
- directory will work using either make or nmake.
-
- i.e. (WIN32 Cygwin) (using nmake)
- cd config cd config
- sh init win32 cp win32 config
- cd .. cd ..
- mkdir lib
- make makeall.cmd
-
- If you have platform-specific portions of code in your reader, the
- build system defines a set of flags which can be used within
- #ifdef ... #endif regions in your source, as shown in the table
- below.
-
- Because the readers are now dynamically opened by EnSight, you may
- have to include dependent libraries on your link-line to avoid having
- unresolved symbols. If you are having problems with a reader, start
- ensight as "ensight7 -readerdbg" and you will get feedback on any
- problems encountered in loading a reader. If there are unresolved
- symbols, you need to find the library which contains the missing
- symbols and link it into your reader by adding it to the example
- link commands below.
-
- If you choose to use a different build environment for your reader,
- you should take care to use compatible compilation flags to ensure
- compatibilty with the EnSight executables, most notably on the SGI
- and HP-UX 11.0 platforms, which should use the following flags:
-
- sgi_6.2_o32: -mips2
- sgi_6.2_n64: -mips4 -64
- sgi_6.5_n32: -mips3
- sgi_6.5_n64: -mips4 -64
- hp_11.0_32: +DA2.0
- hp_11.0_64: +DA2.0W
-
- ______________________________________________________________________
- | MACHINE | OS flag | SHARED LIBRARY NAME PRODUCED |
- | TYPE |------------------------------------------------------------|
- | | LD COMMAND USED IN MAKEFILE |
- ======================================================================
- ______________________________________________________________________
- | sgi | -DSGI | libuserd-X.so |
- | |------------------------------------------------------------|
- | | ld -shared -all -o libuserd-X.so libuserd-X.o |
- ----------------------------------------------------------------------
- ______________________________________________________________________
- | hp | -DHP | libuserd-X.sl |
- | |------------------------------------------------------------|
- | | ld -b -o libuserd-X.sl libuserd-X.o |
- ----------------------------------------------------------------------
- ______________________________________________________________________
- | sun | -DSUN | libuserd-X.so |
- | |------------------------------------------------------------|
- | | ld -G -o libuserd-X.so libuserd-X.o |
- ----------------------------------------------------------------------
- ______________________________________________________________________
- | dec | -DDEC | libuserd-X.so |
- | |------------------------------------------------------------|
- | | ld -shared -all -o libuserd-X.so libuserd-X.o -lc |
- ----------------------------------------------------------------------
- ______________________________________________________________________
- | linux | -DLINUX | libuserd-X.so |
- | |------------------------------------------------------------|
- | | ld -shared -o libuserd-X.so libuserd-X.o -lc |
- ----------------------------------------------------------------------
- ______________________________________________________________________
- | alpha | -DALINUX | libuserd-X.so |
- | linux |------------------------------------------------------------|
- | | ld -shared -o libuserd-X.so libuserd-X.o -lc |
- ----------------------------------------------------------------------
- ______________________________________________________________________
- | ibm | -DIBM | libuserd-X.so |
- | |------------------------------------------------------------|
- | | ld -G -o libuserd-X.so libuserd-X.o -bnoentry -bexpall -lc |
- ----------------------------------------------------------------------
-
- Once you have created your library, you should place it in a directory
- of your choice or in the standard reader location:
-
- $CEI_HOME/ensight76/machines/$CEI_ARCH/lib_readers
-
- For example, if you created a reader for "mydata", you should create
- the reader libuserd-mydata.so and place the file in your own reader
- directory (see section 3 below) or in the standard location:
-
- $CEI_HOME/ensight76/machines/$CEI_ARCH/lib_readers/libuserd-mydata.so
-
-
-3. By default EnSight will load all readers found in the directory:
-
- $CEI_HOME/ensight76/machines/$CEI_ARCH/lib_readers
-
- Files with names "libuserd-X.so" (where X is a name unique to the reader)
- are assumed to be user-defined readers.
-
- There are two methods which can be used to supplement the default
- behavior.
-
- (1) A feature which is useful for site-level or user-level configuration
- is the optional environment variable $ENSIGHT7_READER. This
- variable directs EnSight to load all readers in the specified reader
- directory (you should probably specify a full path) before loading
- the built-in readers. If the same reader exists in both directories
- (as determined by the name returned by USERD_get_name_of_reader(),
- NOT by the filename), the locally configured reader will take
- precedence.
-
- (2) A useful feature for end-users is the use of the libuserd-devel
- reader. EnSight will search for a reader named libuserd-devel.so
- (.sl for HP or .dll for NT). This reader can exist anywhere in the
- library path (see below) of the user. This is useful for an
- individual actively developing a reader because the existence of a
- libuserd-devel library will take precedence over any other library
- which returns the same name from USERD_get_name_of_reader().
-
- As an example, a site may install commonly used readers in a common
- location, and users can set the ENSIGHT7_READER variable to access them:
-
- setenv ENSIGHT7_READER /usr/local/lib/e7readers
-
- A user working on a new reader may compile the reader and place it in
- a directory specified by the library path:
-
- cp libuserd-myreader.so ~/lib/libuserd-devel.so
- setenv <librarypath> ~/lib:$<librarypath>
-
- The user is responsible for correctly configuring the library path
- variable in order to make use of the libuserd-devel feature. The
- library environment variables used are:
-
- Machine type Environment variable to set
- ------------ ---------------------------
- sgi LD_LIBRARY_PATH
- dec LD_LIBRARY_PATH
- sun LD_LIBRARY_PATH
- linux LD_LIBRARY_PATH
- alpha linux LD_LIBRARY_PATH
- hp SHLIB_PATH
- ibm LIBPATH
-
-As always, EnSight support is available if you need it.
-
--------------------------------
-Quick Index of Library Routines
--------------------------------
-
-Generally Needed for UNSTRUCTURED data
---------------------------------------
-USERD_get_part_coords part's node coordinates
-USERD_get_part_node_ids part's node ids
-USERD_get_part_elements_by_type part's element connectivites
-USERD_get_part_element_ids_by_type part's element ids
-
-
-Generally Needed for BLOCK data
---------------------------------------
-USERD_get_block_coords_by_component block coordinates
-USERD_get_block_iblanking block iblanking values
-USERD_get_ghosts_in_block_flag block ghost cell existence?
-USERD_get_block_ghost_flags block ghost cell flags
-
- These routines, which formerly were only for unstructured data, will now
- also be called for structured data if you specify that ids will be given
- in the USERD_get_node_label_status and USERD_get_element_label_status rotuines
- ------------------------------------------------------------------------------
- USERD_get_part_node_ids part's node ids
- USERD_get_part_element_ids_by_type part's element ids
-
-
-Generally needed for either or both kinds of data
--------------------------------------------------
-USERD_get_name_of_reader name of reader for GUI
-USERD_get_reader_version provide reader version number
-USERD_get_reader_descrip provide GUI more description(optional)
-
-USERD_set_filenames filenames entered in GUI
-USERD_set_server_number server which of how many
-
-USERD_get_number_of_timesets number of timesets
-USERD_get_timeset_description description of timeset
-USERD_get_geom_timeset_number timeset # to use for geom
-
-USERD_get_num_of_time_steps number of time steps
-USERD_get_sol_times solution time values
-USERD_set_time_set_and_step current timeset and time step
-
-
-USERD_get_changing_geometry_status changing geometry?
-USERD_get_node_label_status node labels?
-USERD_get_element_label_status element labels?
-USERD_get_model_extents provide model bounding extents
-USERD_get_number_of_files_in_dataset number of files in model
-USERD_get_dataset_query_file_info info about each model file
-USERD_get_descrip_lines file associated description lines
-USERD_get_number_of_model_parts number of model parts
-USERD_get_part_build_info part/block type/descrip etc.
-USERD_get_maxsize_info part/block allocation maximums
-USERD_get_ghosts_in_model_flag model contains ghost cells?
-
-USERD_get_border_availability part border provided?
-USERD_get_border_elements_by_type part border conn and parent info
-
-USERD_get_number_of_variables number of variables
-USERD_get_gold_variable_info variable type/descrip etc.
-USERD_get_var_by_component part or block variable values
-USERD_get_constant_val constant variable's value
-USERD_get_var_value_at_specific node's or element's variable
- value over time
-USERD_stop_part_building cleanup after part build routine
-
-USERD_bkup archive routine
-
-USERD_exit_routine cleanup upon exit routine
-
-
--------------------------
-Order Routines are called
--------------------------
-
-The various main operations are given basically in the order they will
-be performed. Within each operation, the order the routines will be
-called is given.
-
-1. Setting name in the gui, and specifying one or two input fields
-
- USERD_get_name_of_reader
- USERD_get_reader_descrip (optional)
-
-2. Getting the reader version (also distinguishes between API's)
-
- USERD_get_reader_version
-
-3. Setting filenames and getting timeset and time info
-
- USERD_set_server_number
- USERD_set_filenames
- USERD_get_number_of_timesets
- USERD_get_geom_timeset_number
-
- for each timeset:
- USERD_get_timeset_description
- USERD_get_num_of_time_steps
- USERD_get_sol_times
-
- USERD_set_time_set_and_step
-
-4. Gathering info for part builder
-
- USERD_set_time_set_and_step
- USERD_get_changing_geometry_status
- USERD_get_node_label_status
- USERD_get_element_label_status
- USERD_get_number_of_files_in_dataset
- USERD_get_dataset_query_file_info
- USERD_get_descrip_lines (for geometry)
- USERD_get_number_of_model_parts
- USERD_get_gold_part_build_info
- USERD_get_ghosts_in_model_flag
- USERD_get_maxsize_info
- USERD_get_get_ghosts_in_block_flag (if any ghost cells in model)
- USERD_get_model_extents OR (for model extents)
- USERD_get_part_coords AND/OR
- USERD_get_block_coords_by_component
-
-5. Gathering Variable info
-
- USERD_get_number_of_variables
- USERD_get_gold_variable_info
-
-6. Part building (per part created)
-
- both unstructured and structured:
- --------------------------------
- USERD_set_time_set_and_step
-
- if unstructured part:
- --------------------
- USERD_get_part_element_ids_by_type
- USERD_get_part_elements_by_type
- USERD_get_part_coords
- USERD_get_part_node_ids
-
- else if structured part:
- -----------------------
- USERD_get_block_iblanking
- USERD_get_block_coords_by_component
- USERD_get_block_ghost_flags (If ghost cells in part)
- USERD_get_part_node_ids (If node ids given)
- USERD_get_part_element_ids_by_type (If element ids given)
-
- both again:
- ----------
- USERD_get_border_availability (If border representation
- USERD_get_border_elements_by_type is selected)
-
- USERD_stop_part_building (only once when part builder
- dialog is closed)
-
-7. Loading Variables
-
- constants:
- ---------
- USERD_set_time_set_and_step
- USERD_get_constant_val
-
- scalars/vectors/tensors:
- ------------------------
- USERD_get_descrip_lines
- USERD_set_time_set_and_step
- USERD_get_var_by_component
-
-8. Changing geometry
-
- changing coords only (per part):
- --------------------
- USERD_set_time_set_and_step
- USERD_get_descrip_lines
- USERD_get_part_coords
- USERD_get_block_coords_by_component
-
- changing connectivity (per part):
- ---------------------
- USERD_set_time_set_and_step
- USERD_get_descrip_lines
- USERD_get_number_of_model_parts
- USERD_get_gold_part_build_info
- USERD_get_ghosts_in_model_flag
- USERD_get_get_ghosts_in_block_flag (if any ghost cells in model)
- USERD_get_model_extents OR
- USERD_get_part_coords AND/OR
- USERD_get_block_coords_by_component
- USERD_get_part_element_ids_by_type
- USERD_get_part_elements_by_type
- USERD_get_part_coords
- USERD_get_part_node_ids
- USERD_get_block_iblanking
- USERD_get_block_coords_by_component
- USERD_get_block_ghost_flags (If ghost cells in part)
- USERD_get_part_node_ids (If node ids given)
- USERD_get_part_element_ids_by_type (If element ids given)
-
- USERD_get_border_availability (If border representation
- USERD_get_border_elements_by_type is selected)
-
-
-9. Node or Element queries over time
-
- USERD_get_var_value_at_specific
-
-
------------------------
-Detailed Specifications
------------------------
-
-Include files:
---------------
-The following header file is required in any file containing these library
-routines.
-
- #include "global_extern.h"
-
-
-
-*******************************************************************************
-****************************** Special Note ***********************************
-*******************************************************************************
-
-You must use the global_extern.h file associated with the proper release of
-EnSight when you build readers. Namely, this header file can change per EnSight
-release. For example, readers compiled for EnSight 7.3 will not run properly in
-EnSight 7.4 and vica versa because there was a critical change in the
-global_extern.h file between these two versions. In most cases the only thing
-needed to produce a workable reader is to remake it with the proper header file.
-
-*******************************************************************************
-*******************************************************************************
-
-
-Basis of arrays:
----------------
-Unless explicitly stated otherwise, all arrays are zero based - in true C
-fashion.
-
-
-Global variables:
-----------------
-You will generally need to have a few global variables which are shared by
-the various library routines. The detailed specifications below have assumed
-the following are available. (Their names describe their purpose, and they
-will be used in helping describe the details of the routines below).
-
-static int Numparts_available = 0;
-static int Num_unstructured_parts = 0;
-static int Num_structured_blocks = 0;
-
-/* Note: Numparts_available = Num_unstructured_parts + Num_structured_blocks */
-
-static int Num_timesets = 1;
-static int Current_timeset = 1;
-static int Geom_timeset_number = 1;
-
-static int Num_time_steps[Z_MAXSETS] = 1;
-static int Current_time_step = 0;
-static int Num_variables = 0;
-static int Num_dataset_files = 0;
-
-static int Server_Number = 1; Which server of
-static int Tot_Servers = 1; the total number of servers
-
-
-
-_________________________________________
------------------------------------------
-Library Routines (in alphabetical order):
-_________________________________________
------------------------------------------
-
---------------------------------------------------------------------
-USERD_bkup
-
- Description:
- -----------
- This routine is called during the EnSight archive process. You can
- use it to save or restore info relating to your user defined reader.
-
- Specification:
- -------------
- int USERD_bkup(FILE *archive_file,
- int backup_type)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) archive_file = The archive file pointer
-
- (IN) backup_type = Z_SAVE_ARCHIVE for saving archive
- Z_REST_ARCHIVE for restoring archive
-
- Notes:
- -----
- * Since EnSight's archive file is saved in binary form, you should
- also do any writing to it or reading from it in binary.
-
- * You should archive any variables, which will be needed for
- future operations, that will not be read or computed again
- before they will be needed. These are typically global
- variables.
-
- * Make sure that the number of bytes that you write on a save and
- the number of bytes that you read on a restore are identical!!
-
- * If any of the variables you save are allocated arrays, you must
- do the allocations before restoring into them.
-
---------------------------------------------------------------------
-USERD_exit_routine
-
- Description:
- -----------
- This routine is called as EnSight is exiting. It can be used to clean
- up anything needed - such as removing temporary files, etc. - or can simply
- be a dummy.
-
- Specification:
- -------------
- void USERD_exit_routine( void )
-
- Arguments:
- ---------
- none
-
---------------------------------------------------------------------
-USERD_get_block_coords_by_component
-
- Description:
- -----------
- Get the coordinates of a given structured block, a component at a time.
-
- Specification:
- -------------
- int USERD_get_block_coords_by_component(int block_number,
- int which_component,
- float *coord_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) block_number = The block part number
- (1-based index of part table, namely:
-
- 1 ... Numparts_available.
-
- It is NOT the part_id that
- is loaded in USERD_get_gold_part_build_info)
-
- (IN) which_component = Z_COMPX if x component wanted
- = Z_COMPY if y component wanted
- = Z_COMPZ if z component wanted
-
- (OUT) coord_array = 1D array containing x,y, or z
- coordinate component of each node
-
- (Array will have been allocated
- i*j*k for the block long)
-
- Notes:
- -----
- * Not called unless Num_structured_blocks is > 0
-
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_block_iblanking
-
- Description:
- -----------
- Get the iblanking value at each node of a block (if the block is
- iblanked).
-
- Specification:
- -------------
- int USERD_get_block_iblanking(int block_number,
- int *iblank_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) block_number = The block part number
- (1-based index of part table, namely:
-
- 1 ... Numparts_available.
-
- It is NOT the part_id that
- is loaded in USERD_get_gold_part_build_info)
-
- (OUT) iblank_array = 1D array containing iblank value
- for each node.
-
- (Array will have been allocated
- i*j*k for the block long)
-
- possible values are: Z_EXT = exterior
- Z_INT = interior
- Z_BND = boundary
- Z_INTBND = internal boundary
- Z_SYM = symmetry plane
-
- Notes:
- -----
- * Not called unless Num_structured_blocks is > 0 and you have
- some iblanked blocks
-
- * Will be based on Current_time_step
-
-
-
-----------------------------------------------------------------------
-USERD_get_block_ghost_flags
-
- Description:
- -----------
- Get the ghost_flags value at each element of a block containing ghost cells.
-
- Specification:
- -------------
- int USERD_get_block_ghost_flags(int block_number,
- int *ghost_flags)
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) block_number = The block number
- (1-based index of part table, namely:
-
- 1 ... Numparts_available.
-
- It is NOT the part_id that
- is loaded in USERD_get_gold_part_build_info)
-
- (OUT) ghost_flags = 1D array containing ghost flag value
- for each block cell.
-
- (Array will have been allocated
- (i-1)*(j-1)*(k-1) for the block long)
-
- possible values are: 0 = non-ghost cell (normal cell)
- >0 = ghost cell
-
- Notes:
- -----
- * This routine is new in the 2.01 API
-
- * This will be based on Current_time_step
-
- * Only called for structured "block" parts that have some ghost cells
- as indicated by the USERD_get_ghost_in_block_flag. The model must
- of course also have been indicated to have some ghost cells in the
- USERD_get_ghost_in_model_flag routine.
-
- * It is sufficient to set the value to be 1 to flag as a ghost cell,
- but the value can be any non-zero value, so you could use it to
- indicate which block or which server (for Server-of-server use) the
- cell is actually in.
-
-
-
---------------------------------------------------------------------
-USERD_get_border_availability
-
- Description:
- -----------
- Finds out if border elements are provided by the reader for the
- desired part, or will need to be computed internally by EnSight.
-
- Specification:
- -------------
- int USERD_get_border_availability(int part_number,
- int number_of_elements[Z_MAXTYPE])
-
- Returns:
- -------
- Z_OK if border elements will be provided by the reader.
- (number_of_elements array will be loaded and
- USERD_get_border_elements_by_type will be called)
-
- Z_ERR if border elements are not available - thus EnSight must compute.
- (USERD_get_border_elements_by_type will not be called)
-
-
- Arguments:
- ---------
- (IN) part_number = The part number
- (1-based index of part table, namely:
-
- 1 ... Numparts_available.
-
- It is NOT the part_id that
- is loaded in USERD_get_gold_part_build_info)
-
- (OUT) number_of_elements = 2D array containing number of
- each type of border element in
- the part.
- ------------
- Possible types are:
-
- Z_POINT = point
- Z_BAR02 = 2-noded bar
- Z_BAR03 = 3-noded bar
- Z_TRI03 = 3-noded triangle
- Z_TRI06 = 6-noded triangle
- Z_QUA04 = 4-noded quadrilateral
- Z_QUA08 = 8-noded quadrilateral
-
- Notes:
- -----
- * Only called if border representation is used.
-
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_border_elements_by_type
-
- Description:
- -----------
- Provides border element connectivity and parent information.
-
- Specification:
- -------------
- int USERD_get_border_elements_by_type(int part_number,
- int element_type,
- int **conn_array,
- short *parent_element_type,
- int *parent_element_num)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) part_number = The part number
- (1-based index of part table, namely:
-
- 1 ... Numparts_available.
-
- It is NOT the part_id that
- is loaded in USERD_get_gold_part_build_info)
-
- (IN) element_type = One of the following (See global_extern.h)
- Z_POINT node point element
- Z_BAR02 2 node bar
- Z_BAR03 3 node bar
- Z_TRI03 3 node triangle
- Z_TRI06 6 node triangle
- Z_QUA04 4 node quad
- Z_QUA08 8 node quad
-
- (OUT) conn_array = 2D array containing connectivity
- of each border element of the type.
-
- (Array will have been allocated
- num_of_elements of the type by
- connectivity length of the type)
-
- ex) If number_of_elements[Z_TRI03] = 25
- number_of_elements[Z_QUA04] = 100
- number_of_elements[Z_QUA08] = 30
- as obtained in:
- USERD_get_border_availability
-
- Then the allocated dimensions available
- for this routine will be:
- conn_array[25][3] when called with Z_TRI03
-
- conn_array[100][4] when called with Z_QUA04
-
- conn_array[30][8] when called with Z_QUA08
-
- (OUT) parent_element_type = 1D array containing element type of the
- parent element (the one that the border
- element is a face/edge of).
-
- (Array will have been allocated
- num_of_elements of the type long)
-
- (OUT) parent_element_num = 1D array containing element number of the
- parent element (the one that the border
- element is a face/edge of).
-
- (Array will have been allocated
- num_of_elements of the type long)
-
-
- Notes:
- -----
- * Not called unless USERD_get_border_availability returned Z_OK
-
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_changing_geometry_status
-
- Description:
- -----------
- Gets the changing geometry status for the model
-
- Specification:
- -------------
- int USERD_get_changing_geometry_status( void )
-
- Returns:
- -------
- Z_STATIC if geometry does not change
- Z_CHANGE_COORDS if changing coordinates only
- Z_CHANGE_CONN if changing connectivity
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * EnSight does not support changing number of parts. But the
- coords and/or the connectivity of the parts can change. Note that
- a part is allowed to be empty (number of nodes and elements equal
- to zero).
-
-
---------------------------------------------------------------------
-USERD_get_constant_val
-
- Description:
- -----------
- Get the value of a constant at a time step
-
- Specification:
- -------------
- float USERD_get_constant_value(int which_var,
- int imag_data)
-
- Returns:
- -------
- Value of the requested constant variable
-
- Arguments:
- ---------
- (IN) which_var = The variable number
-
- (IN) imag_data = TRUE if want imaginary data value.
- FALSE if want real data value.
-
- Notes:
- -----
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_dataset_query_file_info
-
- Description:
- -----------
- Get the information about files in the dataset. Used for the
- dataset query option within EnSight.
-
- Specification:
- -------------
- int USERD_get_dataset_query_file_info(Z_QFILES *qfiles)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) qfiles = Structure containing information about each file
- of the dataset. The Z_QFILES structure is defined
- in the global_extern.h file
-
- (The structure will have been allocated
- Num_dataset_files long, with 10 description
- lines per file).
-
- qfiles[].name = The name of the file
- (Z_MAXFILENP is the dimensioned length
- of the name)
-
- qfiles[].sizeb = The number of bytes in the file
- (Typically obtained with a call to the
- "stat" system routine) (Is a long)
-
- qfiles[].timemod = The time the file was last modified
- (Z_MAXTIMLEN is the dimensioned length
- of this string)
- (Typically obtained with a call to the
- "stat" system routine)
-
- qfiles[].num_d_lines = The number of description lines you
- are providing from the file. Max = 10
-
- qfiles[].f_desc[] = The description line(s) per file,
- qfiles[].num_d_lines of them
- (Z_MAXFILENP is the allocated length of
- each line)
-
- Notes:
- -----
- * If Num_dataset_files is 0, this routine will not be called.
- (See USERD_get_number_of_files_in_dataset)
-
-
---------------------------------------------------------------------
-USERD_get_descrip_lines
-
- Description:
- -----------
- Get two description lines associated with geometry per time step,
- or one description line associated with a variable per time step.
-
- Specification:
- -------------
- int USERD_get_descrip_lines(int which_type,
- int which_var,
- int imag_data,
- char line1[Z_BUFL],
- char line2[Z_BUFL])
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) which_type = Z_GEOM for geometry (2 lines)
- = Z_VARI for variable (1 line)
-
- (IN) which_var = If it is a variable, which one.
- Ignored if geometry type.
-
- (IN) imag_data = TRUE if want imaginary data file.
- FALSE if want real data file.
-
- (OUT) line1 = The 1st geometry description line,
- or the variable description line.
-
- (OUT) line2 = The 2nd geometry description line
- Not used if variable type.
-
- Notes:
- -----
- * Will be based on Current_time_step
-
- * These are the lines EnSight can echo to the screen in
- annotation mode.
-
-
-
---------------------------------------------------------------------
-USERD_get_element_label_status
-
- Description:
- -----------
- Answers the question as to whether element labels will be provided.
-
- Specification:
- -------------
- int USERD_get_element_label_status( void )
-
- Returns:
- -------
- TRUE if element labels will be provided
- FALSE if element labels will NOT be provided
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * element lables are needed in order to do any element querying, or
- element labeling on-screen within EnSight.
-
- * Prior to API 2.01:
- -----------------
- For unstructured parts, you can read them from your file if
- available, or can assign them, etc. They need to be unique
- per part, and are often unique per model.
-
- API 1.0:
- USERD_get_element_ids_for_part is used to obtain the ids,
- on a part by part basis, if TRUE status is returned here.
-
- API 2.0:
- USERD_get_part_element_ids_by_type is used to obtain the ids,
- on a per part, per type basis, if TRUE status is returned here.
-
- For structured parts, EnSight will assign ids if you return a
- status of TRUE here. You cannot assign them youself!!
-
- * Starting at API 2.01:
- --------------------
- For both unstructured and structured parts, you can read them
- from your file if available, or can assign them, etc. They need
- to be unique per part, and are often unique per model (especially
- if you are dealing with a decomposed dataset).
-
- USERD_get_part_element_ids_by_type is used to obtain the ids,
- on an element type by part basis, if TRUE status is returned here.
-
- * Will call USERD_get_part_element_ids_by_type for each type of
- of each part if this routine returns TRUE.
---------------------------------------------------------------------
-USERD_get_geom_timeset_number -
-
- Description:
- -----------
- Gets the timeset number to be used for geometry
-
- Specification:
- -------------
- int USERD_get_geom_timeset_number( void )
-
- Returns:
- -------
- Geom_timeset_number = The timeset number that will be used for geometry.
- For example, if USERD_get_number_of timesets
- returns 2, the valid timeset numbers would be
- 1 or 2.
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * If your model is static, which you indicated by returning a zero
- in USERD_get_number_of_timesets, you can return a zero here as well.
-
-
-
---------------------------------------------------------------------
-USERD_get_gold_part_build_info
-
- Description:
- -----------
- Gets the info needed for the part building process.
-
- Specification:
- -------------
- int USERD_get_gold_part_build_info(int *part_id,
- int *part_types,
- char *part_description[Z_BUFL],
- int *number_of_nodes,
- int *number_of_elements[Z_MAXTYPE],
- int *ijk_dimensions[3],
- int *iblanking_options[6])
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) part_id = Array containing the external part
- ids for each of the model parts.
-
- IMPORTANT:
- Parts numbers must be >= 1, because
- of the way they are used in the GUI
-
- *******************************************
- The ids provided here are the numbers by
- which the parts will be referred to in the
- GUI (if possible). They are basically
- labels as far as you are concerned.
-
- Note: The part numbers you pass to routines
- which receive a part_number or block_number
- or which_part as an argument are the 1-based
- table index of the parts!
-
- example: If Numparts_available = 3
-
- Table index part_id
- ----------- -------
- 1 13
- 2 57
- 3 125
-
- ^ ^
- | |
- | These are placed in:
- | part_id[0] = 13
- | part_id[1] = 57
- | part_id[2] = 125
- | for GUI labeling purposes.
- |
- These implied table indices are the part_number,
- block_number, or which_part numbers that you would
- pass to routines like:
-
- USERD_get_part_coords(int part_number,...
- USERD_get_part_node_ids(int part_number,...
- USERD_get_part_elements_by_type(int part_number,...
- USERD_get_part_element_ids_by_type(int part_number,...
- USERD_get_block_coords_by_component(int block_number,...
- USERD_get_block_iblanking(int block_number,...
- USERD_get_block_ghost_flags(int block_number,...
- USERD_get_ghosts_in_block_flag(int block_number)
- USERD_get_border_availability(int part_number,...
- USERD_get_border_elements_by_type(int part_number,...
- USERD_get_var_by_component(int which_variable,
- int which_part,...
- USERD_get_var_value_at_specific(int which_var,
- int which_node_or_elem,
- int which_part,...
- ********************************************
-
- (Array will have been allocated
- Numparts_available long)
-
- (OUT) part_types = Array containing one of the
- following for each model part:
-
- Z_UNSTRUCTURED or
- Z_STRUCTURED or
- Z_IBLANKED
-
- (Array will have been allocated
- Numparts_available long)
-
- (OUT) part_description = Array containing a description
- for each of the model parts
-
- (Array will have been allocated
- Numparts_available by Z_BUFL
- long)
-
- (OUT) number_of_nodes = Number of unstructured nodes in the part
-
- (Array will have been allocated
- Numparts_available long)
-
- (OUT) number_of_elements = 2D array containing number of
- each type of element for each
- unstructured model part.
- ------------
- Possible types are:
-
- Z_POINT = point
- Z_BAR02 = 2-noded bar
- Z_BAR03 = 3-noded bar
- Z_TRI03 = 3-noded triangle
- Z_TRI06 = 6-noded triangle
- Z_QUA04 = 4-noded quadrilateral
- Z_QUA08 = 8-noded quadrilateral
- Z_TET04 = 4-noded tetrahedron
- Z_TET10 = 10-noded tetrahedron
- Z_PYR05 = 5-noded pyramid
- Z_PYR13 = 13-noded pyramid
- Z_PEN06 = 6-noded pentahedron
- Z_PEN15 = 15-noded pentahedron
- Z_HEX08 = 8-noded hexahedron
- Z_HEX20 = 20-noded hexahedron
-
- Z_G_POINT = ghost node point element
- Z_G_BAR02 = 2 node ghost bar
- Z_G_BAR03 = 3 node ghost bar
- Z_G_TRI03 = 3 node ghost triangle
- Z_G_TRI06 = 6 node ghost triangle
- Z_G_QUA04 = 4 node ghost quad
- Z_G_QUA08 = 8 node ghost quad
- Z_G_TET04 = 4 node ghost tetrahedron
- Z_G_TET10 = 10 node ghost tetrahedron
- Z_G_PYR05 = 5 node ghost pyramid
- Z_G_PYR13 = 13 node ghost pyramid
- Z_G_PEN06 = 6 node ghost pentahedron
- Z_G_PEN15 = 15 node ghost pentahedron
- Z_G_HEX08 = 8 node ghost hexahedron
- Z_G_HEX20 = 20 node ghost hexahedron
-
- (Ignored unless Z_UNSTRUCTURED type)
-
- (Array will have been allocated
- Numparts_available by
- Z_MAXTYPE long)
-
- (OUT) ijk_dimensions = 2D array containing ijk dimensions
- for each structured model part.
- ----------
- (Ignored if Z_UNSTRUCTURED type)
-
- (Array will have been allocated
- Numparts_available by 3 long)
-
- ijk_dimensions[][0] = I dimension
- ijk_dimensions[][1] = J dimension
- ijk_dimensions[][2] = K dimension
-
- (OUT) iblanking_options = 2D array containing iblanking
- options possible for each
- structured model part.
- ----------
- (Ignored unless Z_IBLANKED type)
-
- (Array will have been allocated
- Numparts_available by 6 long)
-
- iblanking_options[][Z_EXT] = TRUE if external (outside)
- [][Z_INT] = TRUE if internal (inside)
- [][Z_BND] = TRUE if boundary
- [][Z_INTBND] = TRUE if internal boundary
- [][Z_SYM] = TRUE if symmetry surface
-
-
- Notes:
- -----
- * If you haven't built a table of pointers to the different parts,
- you might want to do so here as you gather the needed info.
-
- * Will be based on Current_time_step
-
-
---------------------------------------------------------------------
-USERD_get_gold_variable_info
-
- Description:
- -----------
- Get the variable descriptions, types and filenames
-
- Specification:
- -------------
- int USERD_get_gold_variable_info(char **var_description,
- char **var_filename,
- int *var_type,
- int *var_classify,
- int *var_complex,
- char **var_ifilename,
- float *var_freq,
- int *var_contran,
- int *var_timeset)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) var_description = Variable descriptions
-
- (Array will have been allocated
- Num_variables by Z_BUFL long)
-
- variable description restrictions:
- ----------------------------------
- 1. Only first 19 characters used in EnSight.
- 2. Leading and trailing whitespace will be removed by EnSight.
- 3. Illegal characters will be replaced by underscores.
- 4. Thay may not start with a numeric digit.
- 4. No two variables may have the same description.
-
-
- (OUT) var_filename = Variable real filenames
-
- (Array will have been allocated
- Num_variables by Z_BUFL long)
-
- (OUT) var_type = Variable type
-
- (Array will have been allocated
- Num_variables long)
-
- types are: Z_CONSTANT
- Z_SCALAR
- Z_VECTOR
- Z_TENSOR
- Z_TENSOR9
-
- (OUT) var_classify = Variable classification
-
- (Array will have been allocated
- Num_variables long)
-
- types are: Z_PER_NODE
- Z_PER_ELEM
-
- (OUT) var_complex = TRUE if complex, FALSE otherwise
-
- (Array will have been allocated
- Num_variables long)
-
- (OUT) var_ifilename = Variable imaginary filenames (if complex)
-
- (Array will have been allocated
- Num_variables by Z_BUFL long)
-
- (OUT) var_freq = complex frequency (if complex)
-
- (Array will have been allocated
- Num_variables long)
-
- (OUT) var_contran = TRUE if constant changes per time step
- FALSE if constant truly same at all time steps
-
- (Array will have been allocated
- Num_variables long)
-
- (OUT) var_timeset = Timeset the variable will use (1 based).
- (For static models, set it to 1)
-
- (Array will have been allocated
- Num_variables long)
-
- For example: If USERD_get_number_of_timesets
- returns 2, the valid
- timeset_number's would be 1 or 2
-
-
- Notes:
- -----
- * The implied variable numbers apply, but be aware that the
- arrays are zero based.
- So for variable 1, will need to provide var_description[0]
- var_filename[0]
- var_type[0]
- var_classify[0]
- var_complex[0]
- var_ifilename[0]
- var_freq[0]
- var_contran[0]
- var_timeset[0]
-
-
- for variable 2, will need to provide var_description[1]
- var_filename[1]
- var_type[1]
- var_classify[1]
- var_complex[1]
- var_ifilename[1]
- var_freq[1]
- var_contran[1]
- var_timeset[1]
- etc.
-
-
-
-
---------------------------------------------------------------------
-USERD_get_ghosts_in_block_flag
-
- Description:
- -----------
- Gets whether ghost cells present in block or not
-
- Specification:
- -------------
- int USERD_get_ghosts_in_block_flag(int block_number)
-
- Returns:
- -------
- TRUE if any ghost cells in this structured part
- FALSE if no ghost cells in this structured part
-
- Arguments:
- ---------
- (IN) block_number = The block part number
- (1-based index of part table, namely:
-
- 1 ... Numparts_available.
-
- It is NOT the part_id that
- is loaded in USERD_get_gold_part_build_info)
-
- Notes:
- -----
- * This routine is new in the 2.01 API
- * This will be based on Current_time_step
-
- * Intended for structured parts only, value will be ignored for
- unstructured parts
-
-
-
-
---------------------------------------------------------------------
-USERD_get_maxsize_info
-
- Description:
- -----------
- Gets maximum part sizes for efficient memory allocation.
-
- Transient models (especially those that increase in size) can cause
- reallocations, at time step changes, to keep chewing up more and
- more memory. The way to avoid this is to know what the maximum
- size of such memory will be, and allocate for this maximum initially.
-
- Accordingly, if you choose to provide this information (it is optional),
- EnSight will take advantage of it.
-
-
- Specification:
- -------------
- int USERD_get_maxsize_info(int *max_number_of_nodes,
- int *max_number_of_elements[Z_MAXTYPE],
- int *max_ijk_dimensions[3])
-
- Returns:
- -------
- Z_OK if supplying maximum data
- Z_ERR if not supplying maximum data, or some error occurred
- while trying to obtain it.
-
- Arguments:
- ---------
- (OUT) max_number_of_nodes = Maximum number of unstructured nodes
- in the part (over all time).
-
- (Array will have been allocated
- Numparts_available long)
-
- (OUT) max_number_of_elements = 2D array containing maximum number of
- each type of element for each
- unstructured model part (over all time).
- ------------
- Possible types are:
-
- Z_POINT = point
- Z_BAR02 = 2-noded bar
- Z_BAR03 = 3-noded bar
- Z_TRI03 = 3-noded triangle
- Z_TRI06 = 6-noded triangle
- Z_QUA04 = 4-noded quadrilateral
- Z_QUA08 = 8-noded quadrilateral
- Z_TET04 = 4-noded tetrahedron
- Z_TET10 = 10-noded tetrahedron
- Z_PYR05 = 5-noded pyramid
- Z_PYR13 = 13-noded pyramid
- Z_PEN06 = 6-noded pentahedron
- Z_PEN15 = 15-noded pentahedron
- Z_HEX08 = 8-noded hexahedron
- Z_HEX20 = 20-noded hexahedron
-
- Z_G_POINT = ghost node point element
- Z_G_BAR02 = 2 node ghost bar
- Z_G_BAR03 = 3 node ghost bar
- Z_G_TRI03 = 3 node ghost triangle
- Z_G_TRI06 = 6 node ghost triangle
- Z_G_QUA04 = 4 node ghost quad
- Z_G_QUA08 = 8 node ghost quad
- Z_G_TET04 = 4 node ghost tetrahedron
- Z_G_TET10 = 10 node ghost tetrahedron
- Z_G_PYR05 = 5 node ghost pyramid
- Z_G_PYR13 = 13 node ghost pyramid
- Z_G_PEN06 = 6 node ghost pentahedron
- Z_G_PEN15 = 15 node ghost pentahedron
- Z_G_HEX08 = 8 node ghost hexahedron
- Z_G_HEX20 = 20 node ghost hexahedron
-
- (Ignored unless Z_UNSTRUCTURED type)
-
- (Array will have been allocated
- Numparts_available by
- Z_MAXTYPE long)
-
- (OUT) max_ijk_dimensions = 2D array containing maximum ijk dimensions
- for each structured model part (over all time).
- ----------
- (Ignored if Z_UNSTRUCTURED type)
-
- (Array will have been allocated
- Numparts_available by 3 long)
-
- max_ijk_dimensions[][0] = maximum I dimension
- max_ijk_dimensions[][1] = maximum J dimension
- max_ijk_dimensions[][2] = maximum K dimension
-
- Notes:
- -----
- * You need to have first called USERD_get_number_of_model_parts and
- USERD_get_gold_part_build_info, so Numparts_available is known and
- so EnSight will know what the type is (Z_UNSTRUCTURED, Z_STRUCTURED,
- or Z_IBLANKED) of each part.
-
- * This will NOT be based on Current_time_step - it is to be the maximum
- values over all time!!
-
- * This information is optional. If you return Z_ERR, Ensight will still
- process things fine, reallocating as needed, etc. However, for
- large transient models you will likely use considerably more memory
- and take more processing time for the memory reallocations. So, if it
- is possible to provide this information "up front", it is recommended
- to do so.
-
-
---------------------------------------------------------------------
-USERD_get_ghosts_in_model_flag
-
- Description:
- -----------
- Answers the question as to whether any ghost cells in the model.
-
- Specification:
- -------------
- int USERD_get_ghosts_in_model_flag( void )
-
- Returns:
- -------
- TRUE if any ghost cells in the model
- FALSE if no ghost cells in the model
-
- Arguments:
- ---------
-
- Notes:
- -----
- * This routine is new in the 2.01 API
-
-
-
---------------------------------------------------------------------
-USERD_get_model_extents
-
- Description:
- -----------
- Gets the model bounding box extents. If this routine supplys them
- EnSight will not have to spend time doing so. If this routine
- returns Z_ERR, EnSight will have to take the time to touch all the
- nodes and gather the extent info.
-
- Specification:
- -------------
- int USERD_get_model_extents(float extents[6])
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful (whereupon EnSight will determine by reading
- all coords of all parts)
-
- Arguments:
- ---------
- (OUT) extents[0] = min x
- [1] = max x
- [2] = min y
- [3] = max y
- [4] = min z
- [5] = max z
-
- Notes:
- -----
- * This will be based on Current_time_step
-
-
---------------------------------------------------------------------
-USERD_get_name_of_reader
-
- Description:
- -----------
- Gets the name of your user defined reader. The user interface will
- ask for this and include it in the available reader list.
-
- Specification:
- -------------
- int USERD_get_name_of_reader(char reader_name[Z_MAX_USERD_NAME],
- int *two_fields)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) reader_name = the name of the your reader or data format.
- (max length is Z_MAX_USERD_NAME, which is 20)
-
- (OUT) *two_fields = FALSE if only one data field required
- in the data dialog of EnSight.
- TRUE if two data fields required.
-
- Notes:
- -----
- * Always called. Please be sure to provide a name for your custom
- reader format.
-
-
-
---------------------------------------------------------------------
-USERD_get_node_label_status
-
- Description:
- -----------
- Answers the question as to whether node labels will be provided.
-
- Specification:
- -------------
- int USERD_get_node_label_status( void )
-
- Returns:
- -------
- TRUE if node labels will be provided
- FALSE if node labels will NOT be provided
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * Node ids are needed in order to do any node querying, or node
- labeling on-screen within EnSight.
-
- * Prior to API 2.01:
- -----------------
- For unstructured parts, you can read them from your file if
- available, or can assign them, etc. They need to be unique
- per part, and are often unique per model. They must also be
- positive numbers greater than zero.
-
- USERD_get_part_node_ids is used to obtain the ids, if the
- status returned here is TRUE.
-
- (Unlike API 1.0, where the connectivity of elements had to be
- according to the node ids - API 2.0's element connectivities
- are not affected either way by the status here.)
-
- For structured parts, EnSight will assign ids if you return a
- status of TRUE here. You cannot assign them yourself!!
-
- * Starting at API 2.01:
- --------------------
- For both unstructured and structured parts, you can read them
- from your file if available, or can assign them, etc. They need
- to be unique per part, and are often unique per model. They must
- also be positive numbers greater than zero.
-
- USERD_get_part_node_ids is used to obtain the ids, if the
- status returned here is TRUE.
-
- * Will call USERD_get_part_node_ids for each part if this routine
- returns TRUE.
-
-
-
---------------------------------------------------------------------
-USERD_get_num_of_time_steps
-
- Description:
- -----------
- Gets the number of time steps of data available for desired timeset.
-
- Specification:
- -------------
- int USERD_get_num_of_time_steps( int timeset_number )
-
- Returns:
- -------
- Number of time steps in timeset (>0 if okay, <=0 if problems).
-
- Arguments:
- ---------
- (IN) timeset number = the timeset number
-
- For example: If USERD_get_number_of_timesets
- returns 2, the valid
- timeset_number's would be 1 and 2
-
- Notes:
- -----
- * This should be >= 1 1 indicates a static model
- >1 indicates a transient model
-
- * Num_time_steps[timeset_number] would be set here
-
-
-
---------------------------------------------------------------------
-USERD_get_number_of_files_in_dataset
-
- Description:
- -----------
- Get the total number of files in the dataset. Used for the
- dataset query option within EnSight.
-
- Specification:
- -------------
- int USERD_get_number_of_files_in_dataset( void )
-
- Returns:
- -------
- The total number of files in the dataset.
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * You can be as complete as you want about this. If you don't
- care about the dataset query option, return a value of 0
- If you only want certain files, you can just include them. But,
- you will need to supply the info in USERD_get_dataset_query_file_info
- for each file you include here.
-
- * Num_dataset_files would be set here
-
-
-
---------------------------------------------------------------------
-USERD_get_number_of_model_parts
-
- Description:
- -----------
- Gets the total number of unstructured and structured parts
- in the model, for which you can supply information.
-
- Specification:
- -------------
- int USERD_get_number_of_model_parts( void )
-
- Returns:
- -------
- Number of parts (>0 if okay, <=0 if problems).
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * If going to have to read down through the parts in order to
- know how many, you may want to build a table of pointers to
- the various parts, so you can easily get to particular parts in
- later processes. If you can simply read the number of parts
- at the head of the file, then you would probably not build the
- table at this time.
-
- * This routine would set Numparts_available, which is equal to
- Num_unstructured_parts + Num_structured_blocks.
-
-
-
---------------------------------------------------------------------
-USERD_get_number_of_timesets
-
- Description:
- -----------
- Gets the number of timesets used in the model.
-
- Specification:
- -------------
- int USERD_get_number_of_timesets( void )
-
- Returns:
- -------
- Number of timesets in the model
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * Num_timesets would be set here
-
- * If you have a static model, both geometry and variables, you should
- return a value of zero.
-
- * If you have a transient model, then you should return one or more.
-
- For example:
-
- Geometry Variables No. of timesets
- --------- ------------------------------ ---------------
- static static 0
- static transient, all using same timeset 1
-
- transient transient, all using same timeset as geom 1
-
- static transient, using 3 different timesets 3
-
- transient transient, using 3 different timesets and
- none of them the same as the
- geometry timeset 4
- etc.
-
- NOTE: ALL GEOMETRY MUST USE THE SAME TIMESET!!! You will have to provide
- the timeset number to use
- for geometry in:
- USERD_get_geom_timeset_number
-
- Variables can use the same timeset as the geometry, or can use
- other timesets. More than one variable can use the same timeset.
-
- example: changing geometry at 5 steps, 0.0, 1.0, 2.0, 3.0, 4.0
- variable 1 provided at these same five steps
- variable 2 provided at 3 steps, 0.5, 1.25, 3.33
-
- This routine should return a value of 2, because only
- two different timesets are needed. Timeset 1 would be for the
- geometry and variable 1 (they both use it). Timeset 2 would
- be for variable 2, which needs its own in this case.
-
-
-
-
-
---------------------------------------------------------------------
-USERD_get_number_of_variables
-
- Description:
- -----------
- Get the number of variables for which you will be providing info.
-
- Specification:
- -------------
- int USERD_get_number_of_variables( void )
-
- Returns:
- -------
- Number of variables (includes constant, scalar, vector and tensor types)
- (>=0 if okay, <0 if problem)
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- *****************************************************************
- * Variable numbers, by which references will be made, are implied
- here. If you say there are 3 variables, the variable numbers
- will be 1, 2, and 3.
- *****************************************************************
-
- * Num_variables would be set here
-
-
-
---------------------------------------------------------------------
-USERD_get_part_coords
-
- Description:
- -----------
- Gets the coordinates for an unstructured part.
-
- Specification:
- -------------
- int USERD_get_part_coords(int part_number, float **coord_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) part_number = The part number
- (1-based index of part table, namely:
-
- 1 ... Numparts_available.
-
- It is NOT the part_id that
- is loaded in USERD_get_gold_part_build_info)
-
- (OUT) coord_array = 2D float array which contains,
- x,y,z coordinates of each node
- in the part.
-
- (IMPORTANT: The second dimension of this aray is 1-based!!!)
-
- (Array will have been allocated
- 3 by (number_of_nodes + 1) for the part
- long - see USERD_get_gold_part_build_info)
-
-
- ex) If number_of_nodes = 100
- as obtained in:
- USERD_get_gold_part_build_info
-
- Then the allocated dimensions of the
- pointer sent to this routine will be:
- coord_array[3][101]
-
- Ignore the coord_array[0][0]
- coord_array[1][0]
- coord_array[2][0] locations and start
- the node coordinates at:
- coord_array[0][1]
- coord_array[1][1]
- coord_array[2][1]
-
- coord_array[0][2]
- coord_array[1][2]
- coord_array[2][2]
-
- etc.
-
- Notes:
- -----
- * Not called unless Num_unstructured_parts is > 0
-
- * Will be based on Current_time_step
-
-
---------------------------------------------------------------------
-USERD_get_part_element_ids_by_type
-
- Description:
- -----------
- Gets the ids for the elements of a particular type for an unstructured
- or structured part.
-
- Specification:
- -------------
- int USERD_get_part_element_ids_by_type(int part_number,
- int element_type,
- int *elemid_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) part_number = The part number
- (1-based index of part table, namely:
-
- 1 ... Numparts_available.
-
- It is NOT the part_id that
- is loaded in USERD_get_gold_part_build_info)
-
- (IN) element_type = One of the following (See global_extern.h)
- Z_POINT node point element
- Z_BAR02 2 node bar
- Z_BAR03 3 node bar
- Z_TRI03 3 node triangle
- Z_TRI06 6 node triangle
- Z_QUA04 4 node quad
- Z_QUA08 8 node quad
- Z_TET04 4 node tetrahedron
- Z_TET10 10 node tetrahedron
- Z_PYR05 5 node pyramid
- Z_PYR13 13 node pyramid
- Z_PEN06 6 node pentahedron
- Z_PEN15 15 node pentahedron
- Z_HEX08 8 node hexahedron
- Z_HEX20 20 node hexahedron
-
- Z_G_POINT ghost node point element
- Z_G_BAR02 2 node ghost bar
- Z_G_BAR03 3 node ghost bar
- Z_G_TRI03 3 node ghost triangle
- Z_G_TRI06 6 node ghost triangle
- Z_G_QUA04 4 node ghost quad
- Z_G_QUA08 8 node ghost quad
- Z_G_TET04 4 node ghost tetrahedron
- Z_G_TET10 10 node ghost tetrahedron
- Z_G_PYR05 5 node ghost pyramid
- Z_G_PYR13 13 node ghost pyramid
- Z_G_PEN06 6 node ghost pentahedron
- Z_G_PEN15 15 node ghost pentahedron
- Z_G_HEX08 8 node ghost hexahedron
- Z_G_HEX20 20 node ghost hexahedron
-
- (OUT) elemid_array = 1D array containing id of each
- element of the type.
-
- (Array will have been allocated
- number_of_elements of the type long)
-
- ex) If number_of_elements[Z_TRI03] = 25
- number_of_elements[Z_QUA04] = 100
- number_of_elements[Z_HEX08] = 30
- as obtained in:
- USERD_get_gold_part_build_info
-
- Then the allocated dimensions available
- for this routine will be:
- conn_array[25] when called with Z_TRI03
-
- conn_array[100] when called with Z_QUA04
-
- conn_array[30] when called with Z_HEX08
-
- Notes:
- -----
- * Not called unless element label status is set to TRUE in
- USERD_get_element_label_status
-
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_part_elements_by_type
-
- Description:
- -----------
- Gets the connectivities for the elements of a particular type in an
- unstructured part
-
- Specification:
- -------------
- int USERD_get_part_elements_by_type(int part_number,
- int element_type,
- int **conn_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) part_number = The part number
- (1-based index of part table, namely:
-
- 1 ... Numparts_available.
-
- It is NOT the part_id that
- is loaded in USERD_get_gold_part_build_info)
-
- (IN) element_type = One of the following (See global_extern.h)
- Z_POINT node point element
- Z_BAR02 2 node bar
- Z_BAR03 3 node bar
- Z_TRI03 3 node triangle
- Z_TRI06 6 node triangle
- Z_QUA04 4 node quad
- Z_QUA08 8 node quad
- Z_TET04 4 node tetrahedron
- Z_TET10 10 node tetrahedron
- Z_PYR05 5 node pyramid
- Z_PYR13 13 node pyramid
- Z_PEN06 6 node pentahedron
- Z_PEN15 15 node pentahedron
- Z_HEX08 8 node hexahedron
- Z_HEX20 20 node hexahedron
-
- Z_G_POINT ghost node point element
- Z_G_BAR02 2 node ghost bar
- Z_G_BAR03 3 node ghost bar
- Z_G_TRI03 3 node ghost triangle
- Z_G_TRI06 6 node ghost triangle
- Z_G_QUA04 4 node ghost quad
- Z_G_QUA08 8 node ghost quad
- Z_G_TET04 4 node ghost tetrahedron
- Z_G_TET10 10 node ghost tetrahedron
- Z_G_PYR05 5 node ghost pyramid
- Z_G_PYR13 13 node ghost pyramid
- Z_G_PEN06 6 node ghost pentahedron
- Z_G_PEN15 15 node ghost pentahedron
- Z_G_HEX08 8 node ghost hexahedron
- Z_G_HEX20 20 node ghost hexahedron
-
-
- (OUT) conn_array = 2D array containing connectivity
- of each element of the type.
-
- (Array will have been allocated
- num_of_elements of the type by
- connectivity length of the type)
-
- ex) If number_of_elements[Z_TRI03] = 25
- number_of_elements[Z_QUA04] = 100
- number_of_elements[Z_HEX08] = 30
- as obtained in:
- USERD_get_gold_part_build_info
-
- Then the allocated dimensions available
- for this routine will be:
- conn_array[25][3] when called with Z_TRI03
-
- conn_array[100][4] when called with Z_QUA04
-
- conn_array[30][8] when called with Z_HEX08
-
- Notes:
- -----
- * Not called unless Num_unstructured_parts is > 0
-
- * Will be based on Current_time_step
-
-
---------------------------------------------------------------------
-USERD_get_part_node_ids
-
- Description:
- -----------
- Gets the node ids of an unstructured or structured part.
-
- Specification:
- -------------
- int USERD_get_part_node_ids(int part_number, int *nodeid_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) part_number = The part number
- (1-based index of part table, namely:
-
- 1 ... Numparts_available.
-
- It is NOT the part_id that
- is loaded in USERD_get_gold_part_build_info)
-
- (OUT) nodeid_array = 1D array containing node ids of
- each node in the part.
-
- (IMPORTANT: This array is 1-based!!!)
-
- (Array will have been allocated
- (number_of_nodes + 1) for the part long
- see USERD_get_gold_part_build_info)
-
- ex) If number_of_nodes = 100
- as obtained in:
- USERD_get_gold_part_build_info
-
- Then the allocated dimensions of the
- pointer sent to this routine will be:
- nodeid_array[101]
-
- Ignore the nodeid_array[0] location and start
- the node ids at:
- nodeid_array[1]
-
- nodeid_array[2]
-
- etc.
-
- Notes:
- -----
- * Not called unless node label status is TRUE, as returned from
- USERD_get_node_label_status
-
- * Will be based on Current_time_step
-
- * The ids are purely labels, used when displaying or querying node ids.
- However, any node id < 0 will never be displayed
-
-
---------------------------------------------------------------------
-USERD_get_reader_descrip
-
- Description:
- -----------
- Gets the description of the reader, so gui can give more info
-
- Specification:
- -------------
- int USERD_get_reader_descrip(char descrip[Z_MAXFILENP])
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) descrip = the description of the reader (max length is MAXFILENP,
- which is 255)
-
- Notes:
- -----
- * OPTIONAL ROUTINE! You can have it or not.
-
-
---------------------------------------------------------------------
-USERD_get_reader_version
-
- Description:
- -----------
- Gets the version number of the user defined reader
-
- Specification:
- -------------
- int USERD_get_reader_version(char version_number[Z_MAX_USERD_NAME])
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful (and will assume is version 1.0)
-
- Arguments:
- ---------
- (OUT) version_number = the version number of the reader
- (max length is Z_MAX_USERD_NAME, which
- is 20)
-
- Notes:
- -----
- * This needs to be "2.000" or greater. Otherwise EnSight will assume
- this reader is API 1.0
-
- * should set it to "2.010" for this version of the API
-
-
-
-
---------------------------------------------------------------------
-USERD_get_sol_times
-
- Description:
- -----------
- Get the solution times associated with each time step for
- desired timeset.
-
- Specification:
- -------------
- int USERD_get_sol_times(int timeset_number,
- float *solution_times)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) timeset_number = the timeset number
-
- For example: If USERD_get_number_of_timesets
- returns 2, the valid
- timeset_number's would be 1 and 2
-
- (OUT) solution_times = 1D array of solution times per time step
-
- (Array will have been allocated
- Num_time_steps[timeset_number] long)
-
- Notes:
- -----
- * The solution times must be non-negative and increasing.
-
-
-
---------------------------------------------------------------------
-USERD_get_timeset_description -
-
- Description:
- -----------
- Get the description to associate with the desired timeset.
-
- Specification:
- -------------
- int USERD_get_timeset_description(int timeset_number,
- char timeset_description[Z_BUFL])
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) timeset_number = the timeset number
-
- For example: If USERD_get_number_of_timesets
- returns 2, the valid
- timeset_number's would be 1 and 2
-
- (OUT) timeset_description = timeset description string
-
-
- Notes:
- -----
- * A string of NULLs is valid for timeset_description
-
-
-
-
---------------------------------------------------------------------
-USERD_get_var_by_component
-
- Description:
- -----------
- Gets the values of a variable component. Both unstructured and structured
- parts use this routine.
-
- if Z_PER_NODE:
- Get the component value at each node for a given variable in the part.
-
- or if Z_PER_ELEM:
- Get the component value at each element of a specific part and type
- for a given variable.
-
- Specification:
- -------------
- int USERD_get_var_by_component(int which_variable,
- int which_part,
- int var_type,
- int which_type,
- int imag_data,
- int component,
- float *var_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- or: Z_UNDEF, in which case you need not load any values into var_array
-
-
- Arguments:
- ---------
- (IN) which_variable = The variable number
-
- (IN) which_part Since EnSight Version 7.4
- -------------------------
- = The part number
-
- (1-based index of part table, namely:
-
- 1 ... Numparts_available.
-
- It is NOT the part_id that
- is loaded in USERD_get_gold_part_build_info)
-
- Prior to EnSight Version 7.4
- ----------------------------
- = The part id This is the part_id label loaded
- in USERD_get_gold_part_build_info.
- It is NOT the part table index.
-
- (IN) var_type = Z_SCALAR
- Z_VECTOR
- Z_TENSOR (symmetric tensor)
- Z_TENSOR9 (asymmetric tensor)
-
- (IN) which_type
-
- if Z_PER_NODE: Not used
-
- if Z_PER_ELEM: = The element type
- Z_POINT node point element
- Z_BAR02 2 node bar
- Z_BAR03 3 node bar
- Z_TRI03 3 node triangle
- Z_TRI06 6 node triangle
- Z_QUA04 4 node quad
- Z_QUA08 8 node quad
- Z_TET04 4 node tetrahedron
- Z_TET10 10 node tetrahedron
- Z_PYR05 5 node pyramid
- Z_PYR13 13 node pyramid
- Z_PEN06 6 node pentahedron
- Z_PEN15 15 node pentahedron
- Z_HEX08 8 node hexahedron
- Z_HEX20 20 node hexahedron
-
- Z_G_POINT ghost node point element
- Z_G_BAR02 2 node ghost bar
- Z_G_BAR03 3 node ghost bar
- Z_G_TRI03 3 node ghost triangle
- Z_G_TRI06 6 node ghost triangle
- Z_G_QUA04 4 node ghost quad
- Z_G_QUA08 8 node ghost quad
- Z_G_TET04 4 node ghost tetrahedron
- Z_G_TET10 10 node ghost tetrahedron
- Z_G_PYR05 5 node ghost pyramid
- Z_G_PYR13 13 node ghost pyramid
- Z_G_PEN06 6 node ghost pentahedron
- Z_G_PEN15 15 node ghost pentahedron
- Z_G_HEX08 8 node ghost hexahedron
- Z_G_HEX20 20 node ghost hexahedron
-
- (IN) imag_data = TRUE if imag component
- FALSE if real component
-
- (IN) component = The component: (0 if Z_SCALAR)
- (0 - 2 if Z_VECTOR)
- (0 - 5 if Z_TENSOR)
- (0 - 8 if Z_TENSOR9)
-
- * 6 Symmetric Indicies, 0:5 *
- * ---------------------------- *
- * | 11 12 13 | | 0 3 4 | *
- * | | | | *
- * T = | 22 23 | = | 1 5 | *
- * | | | | *
- * | 33 | | 2 | *
-
-
- * 9 General Indicies, 0:8 *
- * ---------------------------- *
- * | 11 12 13 | | 0 3 4 | *
- * | | | | *
- * T = | 21 22 23 | = | 6 1 5 | *
- * | | | | *
- * | 31 32 33 | | 7 8 2 | *
-
- (OUT) var_array
-
- -----------------------------------------------------------------------
- (IMPORTANT: this array is 1-based for both Z_PER_NODE and Z_PER_ELEM!!!)
- -----------------------------------------------------------------------
-
- if Z_PER_NODE: = 1D array containing variable component value
- for each node.
-
- (Array will have been allocated
- (number_of_nodes + 1) long)
-
- Info stored in this fashion:
- var_array[0] = not used
- var_array[1] = var component for node 1 of part
- var_array[2] = var_component for node 2 of part
- var_array[3] = var_component for node 3 of part
- etc.
-
- if Z_PER_ELEM: = 1D array containing variable component
- value for each element of a particular
- part and type.
-
- (Array will have been allocated
- (number_of_elements[which_part][which_type] + 1)
- long. See USERD_get_gold_part_build_info)
-
- Info stored in this fashion:
- var_array[1] = var component for elem 1 (of part and type)
- var_array[2] = var component for elem 2 (of part and type)
- var_array[3] = var component for elem 3 (of part and type)
- etc.
-
- Notes:
- -----
- * Not called unless Num_variables is > 0
-
- * The per_node or per_elem classification must be obtainable from the
- variable number (a var_classify array needs to be retained)
-
- * Will be based on Current_time_step
-
- * If the variable is not defined for this part, simply return with a
- value of Z_UNDEF. EnSight will treat the variable as undefined for
- this part.
-
-
---------------------------------------------------------------------
-USERD_get_var_value_at_specific
-
- Description:
- -----------
- if Z_PER_NODE:
- Get the value of a particular variable at a particular node in a
- particular part at a particular time.
-
- or if Z_PER_ELEM:
- Get the value of a particular variable at a particular element of
- a particular type in a particular part at a particular time.
-
-
- Specification:
- -------------
- int USERD_get_var_value_at_specific(int which_var,
- int which_node_or_elem,
- int which_part,
- int which_elem_type,
- int time_step,
- float values[3],
- int imag_data)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) which_var = The variable number
-
- (IN) which_node_or_elem
-
- If Z_PER_NODE:
- = The node number. This is not the id, but is
- the index of the global node
- list (1 based), or the block's
- node list (1 based).
-
- Thus, coord_array[1]
- coord_array[2]
- coord_array[3]
- . |
- . |which_node_or_elem index
- . ----
-
-
- If Z_PER_ELEM:
- = The element number. This is not the id, but is
- the element number index
- of the number_of_element array
- (see USERD_get_gold_part_build_info),
- or the block's element list (1 based).
-
- Thus, for which_part:
- conn_array[which_elem_type][0]
- conn_array[which_elem_type][1]
- conn_array[which_elem_type][2]
- . |
- . which_node_or_elem index
- . ----
-
-
- (IN) which_part Since EnSight Version 7.4
- -------------------------
- = The part number
-
- (1-based index of part table, namely:
-
- 1 ... Numparts_available.
-
- It is NOT the part_id that
- is loaded in USERD_get_gold_part_build_info)
-
- Prior to EnSight Version 7.4
- ----------------------------
- = The part id This is the part_id label loaded
- in USERD_get_gold_part_build_info.
- It is NOT the part table index.
-
-
- (IN) which_elem_type
-
- If Z_PER_NODE, or block part:
- = Not used
-
- If Z_PER_ELEM:
- = The element type. This is the element type index
- of the number_of_element array
- (see USERD_get_gold_part_build_info)
-
- (IN) time_step = The time step
-
- (IN) imag_data = TRUE if want imaginary value.
- FALSE if want real value.
-
- (OUT) values = scalar or vector component value(s)
- values[0] = scalar or vector[0]
- values[1] = vector[1]
- values[2] = vector[2]
-
-
- Notes:
- -----
- * This routine is used in node querys over time (or element querys over
- time for Z_PER_ELEM variables). If these operations are not critical
- to you, this can be a dummy routine.
-
- * The per_node or per_elem classification must be obtainable from the
- variable number (a var_classify array needs to be retained)
-
- * The time step given is for the proper variable timeset.
-
-
---------------------------------------------------------------------
-USERD_set_filenames
-
- Description:
- -----------
- Receives the geometry and result filenames entered in the data
- dialog. The user written code will have to store and use these
- as needed. The user written code must manage its own files!!
-
- Specification:
- -------------
- int USERD_set_filenames(char filename_1[],
- char filename_2[],
- char the_path[],
- int swapbytes)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) filename_1 = the filename entered into the geometry
- field of the data dialog.
-
- (IN) filename_2 = the filename entered into the result
- field of the data dialog.
- (If the two_fields flag in USERD_get_name_of_reader
- is FALSE, this will be null string)
-
- (IN) the_path = the path info from the data dialog.
- Note: filename_1 and filename_2 have already
- had the path prepended to them. This
- is provided in case it is needed for
- filenames contained in one of the files
-
- (IN) swapbytes = TRUE if should swap bytes when reading data.
- = FALSE normally.
-
- Notes:
- -----
- * Since you must manage everything from the input that is entered in
- these data dialog fields, this is an important routine!
-
- * It may be that you will need to have an executive type file that contains
- info and other filenames within it, like EnSight6's case file.
-
-
---------------------------------------------------------------------
-USERD_set_server_number
-
- Description:
- -----------
- Receives the server number of how many total servers.
-
- Specification:
- -------------
- int USERD_set_server_number(int cur_serv,
- int tot_servs)
-
- Returns:
- -------
- nothing
-
- Arguments:
- ---------
- (IN) cur_serv = the current server.
-
- (IN) tot_servs = the total number of servers.
-
- Notes:
- -----
- * Only useful if your user defined reader is being used with EnSight's
- Server-of-Server capability. And even then, it may or may not be
- something that you can take advantage of. If your data is already
- partitioned in some manner, such that you can access the proper
- portions using this information.
-
- For all non-SOS uses, this will simply be 1 of 1
-
-
-
---------------------------------------------------------------------
-USERD_set_time_set_and_step
-
- Description:
- -----------
- Set the current time step in the desired timeset. All functions that
- need time, and that do not explicitly pass it in, will use the timeset
- and step set by this routine, if needed.
-
- Specification:
- -------------
- void USERD_set_time_set_and_step(int timeset_number,
- int time_step)
-
- Returns:
- -------
- nothing
-
- Arguments:
- ---------
- (IN) timeset_number = the timeset number (1 based).
-
- For example: If USERD_get_number_of_timesets
- returns 2, the valid timeset_number's
- would be 1 and 2.
-
- (IN) time_step = The current time step to set
-
- Notes:
- -----
- * Current_time_step and Current_timeset would be set here
-
-
-
---------------------------------------------------------------------
-USERD_stop_part_building
-
- Description:
- -----------
- This routine called when the part building dialog is closed. It is
- provided in case you desire to release memory, etc. that was only needed
- during the part building process.
-
- Specification:
- -------------
- void USERD_stop_part_building( void )
-
- Returns:
- -------
- nothing
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
-
-
----- end of doucment ----
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/README_USERD_2.03 b/applications/utilities/postProcessing/graphics/ensightFoamReader/README_USERD_2.03
deleted file mode 100644
index 14d40c7..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/README_USERD_2.03
+++ /dev/null
@@ -1,3838 +0,0 @@
-README_USERD_2.03
-=================
---------------------------------------
-EnSight User Defined Reader Capability ===> (API 2.03)
---------------------------------------
-A user defined reader capability is included in EnSight which can allow
-otherwise unsupported structured or unstructured data to be read. The user
-defined reader capability utilizes dynamic shared libraries composed of
-routines defined in this document but produced by you, the user, (or some
-third party). This capability is currently available for dec, ibm, hp, sgi,
-sun, linux, alpha linux, and NT servers.
-
-You should refer to beginning of README_USERD_2.0 and/or README_1.0_to_2.0
-for a discussion of the differences between API 1.0 and API 2.*.
-
-
-***>> API 2.03 additional capabilities (beyond API 2.01):
-1. Routines to handle materials
-2. Routines to handle nsided and nfaced elements
-3. Modified routine to handle structured ranges
-
-
-****************************************************************************
-Note: The dummy_gold reader, the Ensight Gold example reader, and the
- SILO reader have been moved to this 2.03 API level.
-****************************************************************************
-
-
-The process for producing a user defined reader is:
----------------------------------------------------
-1. Write code for all pertinent routines in the library (Unless someone else
- has done this for you).
-
- This is of course where the work is done by the user. The word
- "pertinent" is used because depending on the nature of the data, some
- of the routines in the library may be dummy routines.
-
- The source code for a dummy_gold library and for various other
- working or sample libraries is copied from the installation CD during
- installation. These will be located in directories under:
-
- $CEI_HOME/ensight76/user_defined_src/readers
-
- examples:
- --------
- Basic dummy_gold routines provide skeleton for a new reader
- $CEI_HOME/ensight76/user_defined_src/readers/dummy_gold
-
- Sample library which reads unstructured binary EnSight Gold data
- $CEI_HOME/ensight76/user_defined_src/readers/ensight_gold
-
- You may find it useful to place your library source in this area as
- well, but are not limited to this location.
-
- * ===> The descriptions of each library routine and the order that the
- routines are called, which is provided in this file, along with
- the example libraries, should make it possible for you to produce
- code for your own data reader.
-
-
-2. Produce the dynamic shared library.
-
- This is a compiling and loading process which varies according to
- the type of machine you are on. In the user-defined-reader source
- tree we have tried to isolate the machine dependent parts of the
- build process using a set of files in the 'config' directory. In this
- directory there is a configuration file for each platform on which
- EnSight is supported. Before you can compile the installed readers
- you should run the script called 'init' in the config directory.
-
- i.e. (for UNIX)
- cd config
- ./init sgi_6.5_n64
- cd ..
- make
-
- If you are compiling for Windows NT, there are two options. If you
- have the Cygwin GNU utilities installed, you can use GNU make as for
- Unix. Otherwise, there is a script called makeall.cmd which will
- build all of the readers using nmake. The Makefiles in each reader
- directory will work using either make or nmake.
-
- i.e. (WIN32 Cygwin) (using nmake)
- cd config cd config
- sh init win32 cp win32 config
- cd .. cd ..
- mkdir lib
- make makeall.cmd
-
- If you have platform-specific portions of code in your reader, the
- build system defines a set of flags which can be used within
- #ifdef ... #endif regions in your source, as shown in the table
- below.
-
- Because the readers are now dynamically opened by EnSight, you may
- have to include dependent libraries on your link-line to avoid having
- unresolved symbols. If you are having problems with a reader, start
- ensight as "ensight7 -readerdbg" and you will get feedback on any
- problems encountered in loading a reader. If there are unresolved
- symbols, you need to find the library which contains the missing
- symbols and link it into your reader by adding it to the example
- link commands below.
-
- If you choose to use a different build environment for your reader,
- you should take care to use compatible compilation flags to ensure
- compatibilty with the EnSight executables, most notably on the SGI
- and HP-UX 11.0 platforms, which should use the following flags:
-
- sgi_6.2_o32: -mips2
- sgi_6.2_n64: -mips4 -64
- sgi_6.5_n32: -mips3
- sgi_6.5_n64: -mips4 -64
- hp_11.0_32: +DA2.0
- hp_11.0_64: +DA2.0W
-
- ______________________________________________________________________
- | MACHINE | OS flag | SHARED LIBRARY NAME PRODUCED |
- | TYPE |------------------------------------------------------------|
- | | LD COMMAND USED IN MAKEFILE |
- ======================================================================
- ______________________________________________________________________
- | sgi | -DSGI | libuserd-X.so |
- | |------------------------------------------------------------|
- | | ld -shared -all -o libuserd-X.so libuserd-X.o |
- ----------------------------------------------------------------------
- ______________________________________________________________________
- | hp | -DHP | libuserd-X.sl |
- | |------------------------------------------------------------|
- | | ld -b -o libuserd-X.sl libuserd-X.o |
- ----------------------------------------------------------------------
- ______________________________________________________________________
- | sun | -DSUN | libuserd-X.so |
- | |------------------------------------------------------------|
- | | ld -G -o libuserd-X.so libuserd-X.o |
- ----------------------------------------------------------------------
- ______________________________________________________________________
- | dec | -DDEC | libuserd-X.so |
- | |------------------------------------------------------------|
- | | ld -shared -all -o libuserd-X.so libuserd-X.o -lc |
- ----------------------------------------------------------------------
- ______________________________________________________________________
- | linux | -DLINUX | libuserd-X.so |
- | |------------------------------------------------------------|
- | | ld -shared -o libuserd-X.so libuserd-X.o -lc |
- ----------------------------------------------------------------------
- ______________________________________________________________________
- | alpha | -DALINUX | libuserd-X.so |
- | linux |------------------------------------------------------------|
- | | ld -shared -o libuserd-X.so libuserd-X.o -lc |
- ----------------------------------------------------------------------
- ______________________________________________________________________
- | ibm | -DIBM | libuserd-X.so |
- | |------------------------------------------------------------|
- | | ld -G -o libuserd-X.so libuserd-X.o -bnoentry -bexpall -lc |
- ----------------------------------------------------------------------
-
- Once you have created your library, you should place it in a directory
- of your choice or in the standard reader location:
-
- $CEI_HOME/ensight76/machines/$CEI_ARCH/lib_readers
-
- For example, if you created a reader for "mydata", you should create
- the reader libuserd-mydata.so and place the file in your own reader
- directory (see section 3 below) or in the standard location:
-
- $CEI_HOME/ensight76/machines/$CEI_ARCH/lib_readers/libuserd-mydata.so
-
-
-3. By default EnSight will load all readers found in the directory:
-
- $CEI_HOME/ensight76/machines/$CEI_ARCH/lib_readers
-
- Files with names "libuserd-X.so" (where X is a name unique to the reader)
- are assumed to be user-defined readers.
-
- There are two methods which can be used to supplement the default
- behavior.
-
- (1) A feature which is useful for site-level or user-level configuration
- is the optional environment variable $ENSIGHT7_READER. This
- variable directs EnSight to load all readers in the specified reader
- directory (you should probably specify a full path) before loading
- the built-in readers. If the same reader exists in both directories
- (as determined by the name returned by USERD_get_name_of_reader(),
- NOT by the filename), the locally configured reader will take
- precedence.
-
- (2) A useful feature for end-users is the use of the libuserd-devel
- reader. EnSight will search for a reader named libuserd-devel.so
- (.sl for HP or .dll for NT). This reader can exist anywhere in the
- library path (see below) of the user. This is useful for an
- individual actively developing a reader because the existence of a
- libuserd-devel library will take precedence over any other library
- which returns the same name from USERD_get_name_of_reader().
-
- As an example, a site may install commonly used readers in a common
- location, and users can set the ENSIGHT7_READER variable to access them:
-
- setenv ENSIGHT7_READER /usr/local/lib/e7readers
-
- A user working on a new reader may compile the reader and place it in
- a directory specified by the library path:
-
- cp libuserd-myreader.so ~/lib/libuserd-devel.so
- setenv <librarypath> ~/lib:$<librarypath>
-
- The user is responsible for correctly configuring the library path
- variable in order to make use of the libuserd-devel feature. The
- library environment variables used are:
-
- Machine type Environment variable to set
- ------------ ---------------------------
- sgi LD_LIBRARY_PATH
- dec LD_LIBRARY_PATH
- sun LD_LIBRARY_PATH
- linux LD_LIBRARY_PATH
- alpha linux LD_LIBRARY_PATH
- hp SHLIB_PATH
- ibm LIBPATH
-
-As always, EnSight support is available if you need it.
-
--------------------------------
-Quick Index of Library Routines
--------------------------------
-
-Generally Needed for UNSTRUCTURED data
---------------------------------------
-USERD_get_part_coords part's node coordinates
-USERD_get_part_node_ids part's node ids
-USERD_get_part_elements_by_type part's element connectivites
-USERD_get_part_element_ids_by_type part's element ids
-
-
-Generally Needed for BLOCK data
---------------------------------------
-USERD_get_block_coords_by_component block coordinates
-USERD_get_block_iblanking block iblanking values
-USERD_get_ghosts_in_block_flag block ghost cell existence?
-USERD_get_block_ghost_flags block ghost cell flags
-
- These routines, which formerly were only for unstructured data, will now
- also be called for structured data if you specify that ids will be given
- in the USERD_get_node_label_status and USERD_get_element_label_status rotuines
- ------------------------------------------------------------------------------
- USERD_get_part_node_ids part's node ids
- USERD_get_part_element_ids_by_type part's element ids
-
-
-Generally needed for either or both kinds of data
--------------------------------------------------
-USERD_get_name_of_reader name of reader for GUI
-USERD_get_reader_version provide reader version number
-USERD_get_reader_descrip provide GUI more description (optional)
-
-USERD_set_filenames filenames entered in GUI
-USERD_set_server_number server which of how many
-
-USERD_get_number_of_timesets number of timesets
-USERD_get_timeset_description description of timeset
-USERD_get_geom_timeset_number timeset # to use for geom
-
-USERD_get_num_of_time_steps number of time steps
-USERD_get_sol_times solution time values
-USERD_set_time_set_and_step current timeset and time step
-
-USERD_get_gold_part_build_info Gets the info needed for part building process
-USERD_get_changing_geometry_status changing geometry?
-USERD_get_node_label_status node labels?
-USERD_get_element_label_status element labels?
-USERD_get_model_extents provide model bounding extents
-USERD_get_number_of_files_in_dataset number of files in model
-USERD_get_dataset_query_file_info info about each model file
-USERD_get_descrip_lines file associated description lines
-USERD_get_number_of_model_parts number of model parts
-USERD_get_part_build_info part/block type/descrip etc.
-USERD_get_maxsize_info part/block allocation maximums
-USERD_get_ghosts_in_model_flag model contains ghost cells?
-USERD_get_nsided_conn Gets the element connectivities for nsided
- elements. (utilizes the number of nodes
- per element obtained in
- USERD_get_part_elements_by_type)
-USERD_get_nfaced_nodes_per_face Gets the number of nodes per face for nfaced
- elements (utilizes the number of faces
- per element obtained in
- USERD_get_part_elements_by_type)
-USERD_get_nfaced_conn Gets the element connectivities for nfaced
- elements (utilizes the number of nodes
- per face obtained in
- USERD_get_nfaced_nodes_per_face)
-
-
-USERD_get_border_availability part border provided?
-USERD_get_border_elements_by_type part border conn and parent info
-
-USERD_get_number_of_variables number of variables
-USERD_get_gold_variable_info variable type/descrip etc.
-USERD_get_var_by_component part or block variable values
-USERD_get_constant_val constant variable's value
-USERD_get_var_value_at_specific node's or element's variable value over time
-USERD_stop_part_building cleanup after part build routine
-
-USERD_get_number_of_material_sets Gets the number of material sets
-USERD_get_matf_set_info Gets the material set indices and names
-USERD_get_number_of_materials Gets the number of materials
-USERD_get_matf_var_info Gets the material indices and descriptions
-USERD_size_matf_data Gets the length of either the
- material ids list,
- mixed-material ids list, or
- mixed-material values list
-USERD_load_matf_data Gets the material ids list,
- mixed-material ids list, or
- mixed-material values list
-
-USERD_bkup archive routine
-
-USERD_exit_routine cleanup upon exit routine
-
-
--------------------------
-Order Routines are called
--------------------------
-
-The various main operations are given basically in the order they will
-be performed. Within each operation, the order the routines will be
-called is given.
-
-1. Setting name in the gui, and specifying one or two input fields
-
- USERD_get_name_of_reader
- USERD_get_reader_descrip (optional)
-
-2. Getting the reader version (also distinguishes between API's)
-
- USERD_get_reader_version
-
-3. Setting filenames and getting timeset and time info
-
- USERD_set_server_number
- USERD_set_filenames
- USERD_get_number_of_timesets
- USERD_get_geom_timeset_number
-
- for each timeset:
- USERD_get_timeset_description
- USERD_get_num_of_time_steps
- USERD_get_sol_times
-
- USERD_set_time_set_and_step
-
-4. Gathering info for part builder
-
- USERD_set_time_set_and_step
- USERD_get_changing_geometry_status
- USERD_get_node_label_status
- USERD_get_element_label_status
- USERD_get_number_of_files_in_dataset
- USERD_get_dataset_query_file_info
- USERD_get_descrip_lines (for geometry)
- USERD_get_number_of_model_parts
- USERD_get_gold_part_build_info
- USERD_get_ghosts_in_model_flag
- USERD_get_maxsize_info
- USERD_get_get_ghosts_in_block_flag (if any ghost cells in model)
- USERD_get_model_extents OR (for model extents)
- USERD_get_part_coords AND/OR
- USERD_get_block_coords_by_component
-
-5. Gathering Variable info
-
- USERD_get_number_of_variables
- USERD_get_gold_variable_info
-
-6. Part building (per part created)
-
- both unstructured and structured:
- --------------------------------
- USERD_set_time_set_and_step
-
- if unstructured part:
- --------------------
- USERD_get_part_element_ids_by_type
- USERD_get_part_elements_by_type
-
- If any nsided elements:
-
- USERD_get_nsided_conn
-
- If any nfaced elements:
-
- USERD_get_nfaced_nodes_per_face
- USERD_get_nfaced_conn
-
- USERD_get_part_coords
- USERD_get_part_node_ids
-
- else if structured part:
- -----------------------
- USERD_get_block_iblanking
- USERD_get_block_coords_by_component
- USERD_get_block_ghost_flags (If ghost cells in part)
- USERD_get_part_node_ids (If node ids given)
- USERD_get_part_element_ids_by_type (If element ids given)
-
- both again:
- ----------
- USERD_get_border_availability (If border representation
- USERD_get_border_elements_by_type is selected)
-
- USERD_stop_part_building (only once when part builder
- dialog is closed)
-
-7. Loading Variables
-
- constants:
- ---------
- USERD_set_time_set_and_step
- USERD_get_constant_val
-
- scalars/vectors/tensors:
- ------------------------
- USERD_get_descrip_lines
- USERD_set_time_set_and_step
- USERD_get_var_by_component
-
-8. Changing geometry
-
- changing coords only (per part):
- --------------------
- USERD_set_time_set_and_step
- USERD_get_descrip_lines
- USERD_get_part_coords
- USERD_get_block_coords_by_component
-
- changing connectivity (per part):
- ---------------------
- USERD_set_time_set_and_step
- USERD_get_descrip_lines
- USERD_get_number_of_model_parts
- USERD_get_gold_part_build_info
- USERD_get_ghosts_in_model_flag
- USERD_get_get_ghosts_in_block_flag (if any ghost cells in model)
- USERD_get_model_extents OR
- USERD_get_part_coords AND/OR
- USERD_get_block_coords_by_component
- USERD_get_part_element_ids_by_type
- USERD_get_part_elements_by_type
- USERD_get_part_coords
- USERD_get_part_node_ids
- USERD_get_block_iblanking
- USERD_get_block_coords_by_component
- USERD_get_block_ghost_flags (If ghost cells in part)
- USERD_get_part_node_ids (If node ids given)
- USERD_get_part_element_ids_by_type (If element ids given)
-
- USERD_get_border_availability (If border representation
- USERD_get_border_elements_by_type is selected)
-
-
-9. Node or Element queries over time
-
- USERD_get_var_value_at_specific
-
-10. To see if materials in the model
-
- USERD_get_number_of_material_sets
- USERD_get_matf_set_info
-
- If any material sets in the model (calls these once per material set):
- USERD_get_number_of_materials
- USERD_get_matf_var_info
-
- For each elment type of each part containing material ids, calls:
- USERD_size_matf_data
- USERD_load_matf_data
-
- If there are any elements with mixed materials, when a domain or
- interface is created, calls these again per part:
-
- USERD_size_matf_data
- USERD_load_matf_data
-
-
-
------------------------
-Detailed Specifications
------------------------
-
-Include files:
---------------
-The following header file is required in any file containing these library
-routines.
-
- #include "global_extern.h"
-
-And it references:
-
- #include "global_extern_proto.h"
-
-
-
-*******************************************************************************
-****************************** Special Note ***********************************
-*******************************************************************************
-
-Make sure you use the proper define in the global_extern.h header file, namely:
-#define USERD_API_203
-
-Also, Make sure the api version in the USERD_get_reader_version routine is set
-to "2.03" or larger.
-
-Make sure your reader has access to the global_extern_proto.h This is a new
-file which is accessed from the new global_extern.h
-
-*******************************************************************************
-*******************************************************************************
-
-
-Basis of arrays:
----------------
-Unless explicitly stated otherwise, all arrays are zero based - in true C
-fashion.
-
-
-Global variables:
-----------------
-You will generally need to have a few global variables which are shared by
-the various library routines. The detailed specifications below have assumed
-the following are available. (Their names describe their purpose, and they
-will be used in helping describe the details of the routines below).
-
-static int Numparts_available = 0;
-static int Num_unstructured_parts = 0;
-static int Num_structured_blocks = 0;
-
-/* Note: Numparts_available = Num_unstructured_parts + Num_structured_blocks */
-
-static int Num_timesets = 1;
-static int Current_timeset = 1;
-static int Geom_timeset_number = 1;
-
-static int Num_time_steps[Z_MAXSETS] = 1;
-static int Current_time_step = 0;
-static int Num_variables = 0;
-static int Num_dataset_files = 0;
-
-static int Server_Number = 1; Which server of
-static int Tot_Servers = 1; the total number of servers
-
-
-
-_________________________________________
------------------------------------------
-Library Routines (in alphabetical order):
-_________________________________________
------------------------------------------
-
---------------------------------------------------------------------
-USERD_bkup
-
- Description:
- -----------
- This routine is called during the EnSight archive process. You can
- use it to save or restore info relating to your user defined reader.
-
- Specification:
- -------------
- int USERD_bkup(FILE *archive_file,
- int backup_type)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) archive_file = The archive file pointer
-
- (IN) backup_type = Z_SAVE_ARCHIVE for saving archive
- Z_REST_ARCHIVE for restoring archive
-
- Notes:
- -----
- * Since EnSight's archive file is saved in binary form, you should
- also do any writing to it or reading from it in binary.
-
- * You should archive any variables, which will be needed for
- future operations, that will not be read or computed again
- before they will be needed. These are typically global
- variables.
-
- * Make sure that the number of bytes that you write on a save and
- the number of bytes that you read on a restore are identical!!
-
- * If any of the variables you save are allocated arrays, you must
- do the allocations before restoring into them.
-
---------------------------------------------------------------------
-USERD_exit_routine
-
- Description:
- -----------
- This routine is called as EnSight is exiting. It can be used to clean
- up anything needed - such as removing temporary files, etc. - or can simply
- be a dummy.
-
- Specification:
- -------------
- void USERD_exit_routine( void )
-
- Arguments:
- ---------
- none
-
---------------------------------------------------------------------
-USERD_get_block_coords_by_component
-
- Description:
- -----------
- Get the coordinates of a given structured block, a component at a time.
-
- Specification:
- -------------
- int USERD_get_block_coords_by_component(int block_number,
- int which_component,
- float *coord_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) block_number = The block part number
- (1-based index of part table, namely:
-
- 1 ... Numparts_available.
-
- It is NOT the part_id that
- is loaded in USERD_get_gold_part_build_info)
-
- (IN) which_component = Z_COMPX if x component wanted
- = Z_COMPY if y component wanted
- = Z_COMPZ if z component wanted
-
- (OUT) coord_array = 1D array containing x,y, or z
- coordinate component of each node
-
- (Array will have been allocated
- i*j*k for the block long)
-
- Notes:
- -----
- * Not called unless Num_structured_blocks is > 0
-
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_block_iblanking
-
- Description:
- -----------
- Get the iblanking value at each node of a block (if the block is
- iblanked).
-
- Specification:
- -------------
- int USERD_get_block_iblanking(int block_number,
- int *iblank_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) block_number = The block part number
- (1-based index of part table, namely:
-
- 1 ... Numparts_available.
-
- It is NOT the part_id that
- is loaded in USERD_get_gold_part_build_info)
-
- (OUT) iblank_array = 1D array containing iblank value
- for each node.
-
- (Array will have been allocated
- i*j*k for the block long)
-
- possible values are: Z_EXT = exterior
- Z_INT = interior
- Z_BND = boundary
- Z_INTBND = internal boundary
- Z_SYM = symmetry plane
-
- Notes:
- -----
- * Not called unless Num_structured_blocks is > 0 and you have
- some iblanked blocks
-
- * Will be based on Current_time_step
-
-
-
-----------------------------------------------------------------------
-USERD_get_block_ghost_flags
-
- Description:
- -----------
- Get the ghost_flags value at each element of a block containing ghost cells.
-
- Specification:
- -------------
- int USERD_get_block_ghost_flags(int block_number,
- int *ghost_flags)
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) block_number = The block number
- (1-based index of part table, namely:
-
- 1 ... Numparts_available.
-
- It is NOT the part_id that
- is loaded in USERD_get_gold_part_build_info)
-
- (OUT) ghost_flags = 1D array containing ghost flag value
- for each block cell.
-
- (Array will have been allocated
- (i-1)*(j-1)*(k-1) for the block long)
-
- possible values are: 0 = non-ghost cell (normal cell)
- >0 = ghost cell
-
- Notes:
- -----
- * This routine is new in the 2.01 API
-
- * This will be based on Current_time_step
-
- * Only called for structured "block" parts that have some ghost cells
- as indicated by the USERD_get_ghost_in_block_flag. The model must
- of course also have been indicated to have some ghost cells in the
- USERD_get_ghost_in_model_flag routine.
-
- * It is sufficient to set the value to be 1 to flag as a ghost cell,
- but the value can be any non-zero value, so you could use it to
- indicate which block or which server (for Server-of-server use) the
- cell is actually in.
-
-
-
---------------------------------------------------------------------
-USERD_get_border_availability
-
- Description:
- -----------
- Finds out if border elements are provided by the reader for the
- desired part, or will need to be computed internally by EnSight.
-
- Specification:
- -------------
- int USERD_get_border_availability(int part_number,
- int number_of_elements[Z_MAXTYPE])
-
- Returns:
- -------
- Z_OK if border elements will be provided by the reader.
- (number_of_elements array will be loaded and
- USERD_get_border_elements_by_type will be called)
-
- Z_ERR if border elements are not available - thus EnSight must compute.
- (USERD_get_border_elements_by_type will not be called)
-
-
- Arguments:
- ---------
- (IN) part_number = The part number
- (1-based index of part table, namely:
-
- 1 ... Numparts_available.
-
- It is NOT the part_id that
- is loaded in USERD_get_gold_part_build_info)
-
- (OUT) number_of_elements = 2D array containing number of
- each type of border element in
- the part.
- ------------
- Possible types are:
-
- Z_POINT = point
- Z_BAR02 = 2-noded bar
- Z_BAR03 = 3-noded bar
- Z_TRI03 = 3-noded triangle
- Z_TRI06 = 6-noded triangle
- Z_QUA04 = 4-noded quadrilateral
- Z_QUA08 = 8-noded quadrilateral
-
- Notes:
- -----
- * Only called if border representation is used.
-
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_border_elements_by_type
-
- Description:
- -----------
- Provides border element connectivity and parent information.
-
- Specification:
- -------------
- int USERD_get_border_elements_by_type(int part_number,
- int element_type,
- int **conn_array,
- short *parent_element_type,
- int *parent_element_num)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) part_number = The part number
- (1-based index of part table, namely:
-
- 1 ... Numparts_available.
-
- It is NOT the part_id that
- is loaded in USERD_get_gold_part_build_info)
-
- (IN) element_type = One of the following (See global_extern.h)
- Z_POINT node point element
- Z_BAR02 2 node bar
- Z_BAR03 3 node bar
- Z_TRI03 3 node triangle
- Z_TRI06 6 node triangle
- Z_QUA04 4 node quad
- Z_QUA08 8 node quad
-
- (OUT) conn_array = 2D array containing connectivity
- of each border element of the type.
-
- (Array will have been allocated
- num_of_elements of the type by
- connectivity length of the type)
-
- ex) If number_of_elements[Z_TRI03] = 25
- number_of_elements[Z_QUA04] = 100
- number_of_elements[Z_QUA08] = 30
- as obtained in:
- USERD_get_border_availability
-
- Then the allocated dimensions available
- for this routine will be:
- conn_array[25][3] when called with Z_TRI03
-
- conn_array[100][4] when called with Z_QUA04
-
- conn_array[30][8] when called with Z_QUA08
-
- (OUT) parent_element_type = 1D array containing element type of the
- parent element (the one that the border
- element is a face/edge of).
-
- (Array will have been allocated
- num_of_elements of the type long)
-
- (OUT) parent_element_num = 1D array containing element number of the
- parent element (the one that the border
- element is a face/edge of).
-
- (Array will have been allocated
- num_of_elements of the type long)
-
-
- Notes:
- -----
- * Not called unless USERD_get_border_availability returned Z_OK
-
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_changing_geometry_status
-
- Description:
- -----------
- Gets the changing geometry status for the model
-
- Specification:
- -------------
- int USERD_get_changing_geometry_status( void )
-
- Returns:
- -------
- Z_STATIC if geometry does not change
- Z_CHANGE_COORDS if changing coordinates only
- Z_CHANGE_CONN if changing connectivity
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * EnSight does not support changing number of parts. But the
- coords and/or the connectivity of the parts can change. Note that
- a part is allowed to be empty (number of nodes and elements equal
- to zero).
-
-
---------------------------------------------------------------------
-USERD_get_constant_val
-
- Description:
- -----------
- Get the value of a constant at a time step
-
- Specification:
- -------------
- float USERD_get_constant_value(int which_var,
- int imag_data)
-
- Returns:
- -------
- Value of the requested constant variable
-
- Arguments:
- ---------
- (IN) which_var = The variable number
-
- (IN) imag_data = TRUE if want imaginary data value.
- FALSE if want real data value.
-
- Notes:
- -----
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_dataset_query_file_info
-
- Description:
- -----------
- Get the information about files in the dataset. Used for the
- dataset query option within EnSight.
-
- Specification:
- -------------
- int USERD_get_dataset_query_file_info(Z_QFILES *qfiles)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) qfiles = Structure containing information about each file
- of the dataset. The Z_QFILES structure is defined
- in the global_extern.h file
-
- (The structure will have been allocated
- Num_dataset_files long, with 10 description
- lines per file).
-
- qfiles[].name = The name of the file
- (Z_MAXFILENP is the dimensioned length
- of the name)
-
- qfiles[].sizeb = The number of bytes in the file
- (Typically obtained with a call to the
- "stat" system routine) (Is a long)
-
- qfiles[].timemod = The time the file was last modified
- (Z_MAXTIMLEN is the dimensioned length
- of this string)
- (Typically obtained with a call to the
- "stat" system routine)
-
- qfiles[].num_d_lines = The number of description lines you
- are providing from the file. Max = 10
-
- qfiles[].f_desc[] = The description line(s) per file,
- qfiles[].num_d_lines of them
- (Z_MAXFILENP is the allocated length of
- each line)
-
- Notes:
- -----
- * If Num_dataset_files is 0, this routine will not be called.
- (See USERD_get_number_of_files_in_dataset)
-
-
---------------------------------------------------------------------
-USERD_get_descrip_lines
-
- Description:
- -----------
- Get two description lines associated with geometry per time step,
- or one description line associated with a variable per time step.
-
- Specification:
- -------------
- int USERD_get_descrip_lines(int which_type,
- int which_var,
- int imag_data,
- char line1[Z_BUFL],
- char line2[Z_BUFL])
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) which_type = Z_GEOM for geometry (2 lines)
- = Z_VARI for variable (1 line)
-
- (IN) which_var = If it is a variable, which one.
- Ignored if geometry type.
-
- (IN) imag_data = TRUE if want imaginary data file.
- FALSE if want real data file.
-
- (OUT) line1 = The 1st geometry description line,
- or the variable description line.
-
- (OUT) line2 = The 2nd geometry description line
- Not used if variable type.
-
- Notes:
- -----
- * Will be based on Current_time_step
-
- * These are the lines EnSight can echo to the screen in
- annotation mode.
-
-
-
---------------------------------------------------------------------
-USERD_get_element_label_status
-
- Description:
- -----------
- Answers the question as to whether element labels will be provided.
-
- Specification:
- -------------
- int USERD_get_element_label_status( void )
-
- Returns:
- -------
- TRUE if element labels will be provided
- FALSE if element labels will NOT be provided
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * element lables are needed in order to do any element querying, or
- element labeling on-screen within EnSight.
-
- * Prior to API 2.01:
- -----------------
- For unstructured parts, you can read them from your file if
- available, or can assign them, etc. They need to be unique
- per part, and are often unique per model.
-
- API 1.0:
- USERD_get_element_ids_for_part is used to obtain the ids,
- on a part by part basis, if TRUE status is returned here.
-
- API 2.0:
- USERD_get_part_element_ids_by_type is used to obtain the ids,
- on a per part, per type basis, if TRUE status is returned here.
-
- For structured parts, EnSight will assign ids if you return a
- status of TRUE here. You cannot assign them youself!!
-
- * Starting at API 2.01:
- --------------------
- For both unstructured and structured parts, you can read them
- from your file if available, or can assign them, etc. They need
- to be unique per part, and are often unique per model (especially
- if you are dealing with a decomposed dataset).
-
- USERD_get_part_element_ids_by_type is used to obtain the ids,
- on an element type by part basis, if TRUE status is returned here.
-
- * Will call USERD_get_part_element_ids_by_type for each type of
- of each part if this routine returns TRUE.
---------------------------------------------------------------------
-USERD_get_geom_timeset_number -
-
- Description:
- -----------
- Gets the timeset number to be used for geometry
-
- Specification:
- -------------
- int USERD_get_geom_timeset_number( void )
-
- Returns:
- -------
- Geom_timeset_number = The timeset number that will be used for geometry.
- For example, if USERD_get_number_of timesets
- returns 2, the valid timeset numbers would be
- 1 or 2.
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * If your model is static, which you indicated by returning a zero
- in USERD_get_number_of_timesets, you can return a zero here as well.
-
-
-
---------------------------------------------------------------------
-USERD_get_gold_part_build_info
-
- Description:
- -----------
- Gets the info needed for the part building process.
-
- Specification:
- -------------
- int USERD_get_gold_part_build_info(int *part_id,
- int *part_types,
- char *part_description[Z_BUFL],
- int *number_of_nodes,
- int *number_of_elements[Z_MAXTYPE],
- int *ijk_dimensions[9],
- int *iblanking_options[6])
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) part_id = Array containing the external part
- ids for each of the model parts.
-
- IMPORTANT:
- Parts numbers must be >= 1, because
- of the way they are used in the GUI
-
- *******************************************
- The ids provided here are the numbers by
- which the parts will be referred to in the
- GUI (if possible). They are basically
- labels as far as you are concerned.
-
- Note: The part numbers you pass to routines
- which receive a part_number or block_number
- or which_part as an argument are the 1-based
- table index of the parts!
-
- example: If Numparts_available = 3
-
- Table index part_id
- ----------- -------
- 1 13
- 2 57
- 3 125
-
- ^ ^
- | |
- | These are placed in:
- | part_id[0] = 13
- | part_id[1] = 57
- | part_id[2] = 125
- | for GUI labeling purposes.
- |
- These implied table indices are the part_number,
- block_number, or which_part numbers that you would
- pass to routines like:
-
- USERD_get_part_coords(int part_number,...
- USERD_get_part_node_ids(int part_number,...
- USERD_get_part_elements_by_type(int part_number,...
- USERD_get_part_element_ids_by_type(int part_number,...
- USERD_get_block_coords_by_component(int block_number,...
- USERD_get_block_iblanking(int block_number,...
- USERD_get_block_ghost_flags(int block_number,...
- USERD_get_ghosts_in_block_flag(int block_number)
- USERD_get_border_availability(int part_number,...
- USERD_get_border_elements_by_type(int part_number,...
- USERD_get_var_by_component(int which_variable,
- int which_part,...
- USERD_get_var_value_at_specific(int which_var,
- int which_node_or_elem,
- int which_part,...
- ********************************************
-
- (Array will have been allocated
- Numparts_available long)
-
- (OUT) part_types = Array containing one of the
- following for each model part:
-
- Z_UNSTRUCTURED or
- Z_STRUCTURED or
- Z_IBLANKED
-
- (Array will have been allocated
- Numparts_available long)
-
- (OUT) part_description = Array containing a description
- for each of the model parts
-
- (Array will have been allocated
- Numparts_available by Z_BUFL
- long)
-
- (OUT) number_of_nodes = Number of unstructured nodes in the part
-
- (Array will have been allocated
- Numparts_available long)
-
- (OUT) number_of_elements = 2D array containing number of
- each type of element for each
- unstructured model part.
- ------------
- Possible types are:
-
- Z_POINT = point
- Z_BAR02 = 2-noded bar
- Z_BAR03 = 3-noded bar
- Z_TRI03 = 3-noded triangle
- Z_TRI06 = 6-noded triangle
- Z_QUA04 = 4-noded quadrilateral
- Z_QUA08 = 8-noded quadrilateral
- Z_TET04 = 4-noded tetrahedron
- Z_TET10 = 10-noded tetrahedron
- Z_PYR05 = 5-noded pyramid
- Z_PYR13 = 13-noded pyramid
- Z_PEN06 = 6-noded pentahedron
- Z_PEN15 = 15-noded pentahedron
- Z_HEX08 = 8-noded hexahedron
- Z_HEX20 = 20-noded hexahedron
-
- Z_G_POINT = ghost node point element
- Z_G_BAR02 = 2 node ghost bar
- Z_G_BAR03 = 3 node ghost bar
- Z_G_TRI03 = 3 node ghost triangle
- Z_G_TRI06 = 6 node ghost triangle
- Z_G_QUA04 = 4 node ghost quad
- Z_G_QUA08 = 8 node ghost quad
- Z_G_TET04 = 4 node ghost tetrahedron
- Z_G_TET10 = 10 node ghost tetrahedron
- Z_G_PYR05 = 5 node ghost pyramid
- Z_G_PYR13 = 13 node ghost pyramid
- Z_G_PEN06 = 6 node ghost pentahedron
- Z_G_PEN15 = 15 node ghost pentahedron
- Z_G_HEX08 = 8 node ghost hexahedron
- Z_G_HEX20 = 20 node ghost hexahedron
-
- (Ignored unless Z_UNSTRUCTURED type)
-
- (Array will have been allocated
- Numparts_available by
- Z_MAXTYPE long)
-
- (OUT) ijk_dimensions = 2D array containing ijk dimension info
- for structured blocks
-
- For Z_UNSTRUCTURED - is ignored
-
- For Z_STRUCTURED or Z_IBLANKED
-
- Prior to version 2.03:
- ----------------------
- (Array will have been allocated
- Numparts_available by 3 long)
-
- ijk_dimensions[][0] = I dimension
- ijk_dimensions[][1] = J dimension
- ijk_dimensions[][2] = K dimension
-
-
- Starting at version 2.03:
- ------------------------
- (Array will have been allocated
- Numparts_available by 9 long)
-
- There are two ways to do this:
- ------------------------------
- 1. The simple one, without ranges.
-
- This is good for all structured models
- that will NOT be used in EnSight's
- Server of Servers
-
- Simply provide the ijk dimensions in the
- first three slots and place a -1 in
- the 4th slot. (The remaining slots will
- be ignored).
-
- Thus,
- ijk_dimensions[][0] = I dimension of block
- ijk_dimensions[][1] = J dimension of block
- ijk_dimensions[][2] = K dimension of block
- ijk_dimensions[][3] = -1
-
- (J planes)
- 4 *-------*-------*
- | | | ijk_dimension[0][0] = 3
- | | | ijk_dimension[0][1] = 4
- | | | ijk_dimension[0][2] = 1
- 3 *-------*-------*
- | | | ijk_dimension[0][4] = -1
- | | |
- | | |
- 2 *-------*-------*
- | | |
- | | |
- | | |
- 1 *-------*-------*
- 1 2 3 (I planes)
-
-
-
- 2. Using ranges.
-
- This one can be used anytime, but MUST
- be used if EnSight's Server of Servers
- is to be used!
-
- The first 3 slots contain the ijk dimension
- of the complete block (of which this may be
- a portion). The last 6 slots contain the
- ijk min and max ranges within the complete.
-
- Thus,
- ijk_dimensions[][0] = I dim of complete block
- ijk_dimensions[][1] = J dim of complete block
- ijk_dimensions[][2] = K dim of complete block
-
- ijk_dimensions[][3] = Imin of portion (1-based)
- ijk_dimensions[][4] = Imax of portion (1-based)
- ijk_dimensions[][5] = Jmin of portion (1-based)
- ijk_dimensions[][6] = Jmax of portion (1-based)
- ijk_dimensions[][7] = Kmin of portion (1-based)
- ijk_dimensions[][8] = Kmax of portion (1-based)
-
-
- example1: (Model has one part, a simple 2D block,
- and want whole thing)
-
- (J planes)
- 4 *-------*-------*
- | | | ijk_dimension[0][0] = 3
- | | | ijk_dimension[0][1] = 4
- | | | ijk_dimension[0][2] = 1
- 3 *-------*-------*
- | | | ijk_dimension[0][3] = 1
- | | | ijk_dimension[0][4] = 3
- | | | ijk_dimension[0][5] = 1
- 2 *-------*-------* ijk_dimension[0][6] = 4
- | | | ijk_dimension[0][7] = 1
- | | | ijk_dimension[0][8] = 1
- | | |
- 1 *-------*-------*
- 1 2 3 (I planes)
-
-
- example2: (Want to have the block represented
- in two portions - 2 parts)
-
- (J planes) top portion
- 4 *-------*-------*
- | | | ijk_dimension[0][0] = 3
- | | | ijk_dimension[0][1] = 4
- | | | ijk_dimension[0][2] = 1
- 3 *-------*-------*
- . . . ijk_dimension[0][3] = 1
- . . . ijk_dimension[0][4] = 3
- . . . ijk_dimension[0][5] = 3
- 2 ................. ijk_dimension[0][6] = 4
- . . . ijk_dimension[0][7] = 1
- . . . ijk_dimension[0][8] = 1
- . . .
- 1 .................
- 1 2 3 (I planes)
-
-
- (J planes) bottom portion
- 4 .................
- . . . ijk_dimension[1][0] = 3
- . . . ijk_dimension[2][1] = 4
- . . . ijk_dimension[3][2] = 1
- 3 *-------*-------*
- | | | ijk_dimension[1][3] = 1
- | | | ijk_dimension[1][4] = 3
- | | | ijk_dimension[1][5] = 1
- 2 *-------*-------* ijk_dimension[1][6] = 3
- | | | ijk_dimension[1][7] = 1
- | | | ijk_dimension[1][8] = 1
- | | |
- 1 *-------*-------*
- 1 2 3 (I planes)
-
-
- And note that if you were partioning this block for
- EnSight's Server of Servers, you would only have one part,
- instead of two. Each SOS server would return its appropriate
- ranges in the last 6 slots. The first 3 slots would remain constant.
-
-
- (OUT) iblanking_options = 2D array containing iblanking
- options possible for each
- structured model part.
- ----------
- (Ignored unless Z_IBLANKED type)
-
- (Array will have been allocated
- Numparts_available by 6 long)
-
- iblanking_options[][Z_EXT] = TRUE if external (outside)
- [][Z_INT] = TRUE if internal (inside)
- [][Z_BND] = TRUE if boundary
- [][Z_INTBND] = TRUE if internal boundary
- [][Z_SYM] = TRUE if symmetry surface
-
-
- Notes:
- -----
- * If you haven't built a table of pointers to the different parts,
- you might want to do so here as you gather the needed info.
-
- * Will be based on Current_time_step
-
-
---------------------------------------------------------------------
-USERD_get_gold_variable_info
-
- Description:
- -----------
- Get the variable descriptions, types and filenames
-
- Specification:
- -------------
- int USERD_get_gold_variable_info(char **var_description,
- char **var_filename,
- int *var_type,
- int *var_classify,
- int *var_complex,
- char **var_ifilename,
- float *var_freq,
- int *var_contran,
- int *var_timeset)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) var_description = Variable descriptions
-
- (Array will have been allocated
- Num_variables by Z_BUFL long)
-
- variable description restrictions:
- ----------------------------------
- 1. Only first 19 characters used in EnSight.
- 2. Leading and trailing whitespace will be removed by EnSight.
- 3. Illegal characters will be replaced by underscores.
- 4. Thay may not start with a numeric digit.
- 4. No two variables may have the same description.
-
-
- (OUT) var_filename = Variable real filenames
-
- (Array will have been allocated
- Num_variables by Z_BUFL long)
-
- (OUT) var_type = Variable type
-
- (Array will have been allocated
- Num_variables long)
-
- types are: Z_CONSTANT
- Z_SCALAR
- Z_VECTOR
- Z_TENSOR
- Z_TENSOR9
-
- (OUT) var_classify = Variable classification
-
- (Array will have been allocated
- Num_variables long)
-
- types are: Z_PER_NODE
- Z_PER_ELEM
-
- (OUT) var_complex = TRUE if complex, FALSE otherwise
-
- (Array will have been allocated
- Num_variables long)
-
- (OUT) var_ifilename = Variable imaginary filenames (if complex)
-
- (Array will have been allocated
- Num_variables by Z_BUFL long)
-
- (OUT) var_freq = complex frequency (if complex)
-
- (Array will have been allocated
- Num_variables long)
-
- (OUT) var_contran = TRUE if constant changes per time step
- FALSE if constant truly same at all time steps
-
- (Array will have been allocated
- Num_variables long)
-
- (OUT) var_timeset = Timeset the variable will use (1 based).
- (For static models, set it to 1)
-
- (Array will have been allocated
- Num_variables long)
-
- For example: If USERD_get_number_of_timesets
- returns 2, the valid
- timeset_number's would be 1 or 2
-
-
- Notes:
- -----
- * The implied variable numbers apply, but be aware that the
- arrays are zero based.
- So for variable 1, will need to provide var_description[0]
- var_filename[0]
- var_type[0]
- var_classify[0]
- var_complex[0]
- var_ifilename[0]
- var_freq[0]
- var_contran[0]
- var_timeset[0]
-
-
- for variable 2, will need to provide var_description[1]
- var_filename[1]
- var_type[1]
- var_classify[1]
- var_complex[1]
- var_ifilename[1]
- var_freq[1]
- var_contran[1]
- var_timeset[1]
- etc.
-
-
-
-
---------------------------------------------------------------------
-USERD_get_ghosts_in_block_flag
-
- Description:
- -----------
- Gets whether ghost cells present in block or not
-
- Specification:
- -------------
- int USERD_get_ghosts_in_block_flag(int block_number)
-
- Returns:
- -------
- TRUE if any ghost cells in this structured part
- FALSE if no ghost cells in this structured part
-
- Arguments:
- ---------
- (IN) block_number = The block part number
- (1-based index of part table, namely:
-
- 1 ... Numparts_available.
-
- It is NOT the part_id that
- is loaded in USERD_get_gold_part_build_info)
-
- Notes:
- -----
- * This routine is new in the 2.01 API
- * This will be based on Current_time_step
-
- * Intended for structured parts only, value will be ignored for
- unstructured parts
-
-
-
---------------------------------------------------------------------
-USERD_get_ghosts_in_model_flag
-
- Description:
- -----------
- Answers the question as to whether any ghost cells in the model.
-
- Specification:
- -------------
- int USERD_get_ghosts_in_model_flag( void )
-
- Returns:
- -------
- TRUE if any ghost cells in the model
- FALSE if no ghost cells in the model
-
- Arguments:
- ---------
-
- Notes:
- -----
- * This routine is new in the 2.01 API
-
--------------------------------------------------------------------------
-USERD_get_matf_set_info
-
- Description:
- -----------
- Get the material set ids and names
-
- Specification:
- -------------
- int USERD_get_matf_set_info(int *mat_set_ids,
- char **mat_set_name)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) mat_set_ids = 1D material set ids array
-
- (Array will have been allocated
- Num_material_sets long)
-
- (OUT) mat_set_name = 2D material set name array
-
- (Array will have been allocated
- Num_material_sets by Z_BUFL long)
-
- Notes:
- -----
- * Will not be called if Num_material_sets is zero
- * See USERD_get_number_of_material_sets header for explanatory example
-
-
---------------------------------------------------------------------
-USERD_get_matf_var_info
-
- Description:
- -----------
- Gets the material ids and descriptions for the material set
-
- Specification:
- -------------
- int USERD_get_matf_var_info(int set_index,
- int *mat_ids,
- char **mat_desc)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) set_index = the material set index (zero based)
-
- (OUT) mat_ids[set_index] = 1D integer array containing the material
- ids to associated with each material
-
- (Array will have been allocated
- Num_materials[set_index] long)
-
- (OUT) mat_desc[set_index] = 2D char array containing the material
- descriptions to associated with each material
-
- (Array will have been allocated
- Num_materials[set_index] by Z_BUFL long)
-
- Notes:
- -----
- * See USERD_get_number_of_material_sets header for explanatory example
- * Will not be called if Num_material_sets is zero, or
- Num_materials[set_index] is zero
-
-
-
-
---------------------------------------------------------------------
-USERD_get_maxsize_info
-
- Description:
- -----------
- Gets maximum part sizes for efficient memory allocation.
-
- Transient models (especially those that increase in size) can cause
- reallocations, at time step changes, to keep chewing up more and
- more memory. The way to avoid this is to know what the maximum
- size of such memory will be, and allocate for this maximum initially.
-
- Accordingly, if you choose to provide this information (it is optional),
- EnSight will take advantage of it.
-
-
- Specification:
- -------------
- int USERD_get_maxsize_info(int *max_number_of_nodes,
- int *max_number_of_elements[Z_MAXTYPE],
- int *max_ijk_dimensions[3])
-
- Returns:
- -------
- Z_OK if supplying maximum data
- Z_ERR if not supplying maximum data, or some error occurred
- while trying to obtain it.
-
- Arguments:
- ---------
- (OUT) max_number_of_nodes = Maximum number of unstructured nodes
- in the part (over all time).
-
- (Array will have been allocated
- Numparts_available long)
-
- (OUT) max_number_of_elements = 2D array containing maximum number of
- each type of element for each
- unstructured model part (over all time).
- ------------
- Possible types are:
-
- Z_POINT = point
- Z_BAR02 = 2-noded bar
- Z_BAR03 = 3-noded bar
- Z_TRI03 = 3-noded triangle
- Z_TRI06 = 6-noded triangle
- Z_QUA04 = 4-noded quadrilateral
- Z_QUA08 = 8-noded quadrilateral
- Z_TET04 = 4-noded tetrahedron
- Z_TET10 = 10-noded tetrahedron
- Z_PYR05 = 5-noded pyramid
- Z_PYR13 = 13-noded pyramid
- Z_PEN06 = 6-noded pentahedron
- Z_PEN15 = 15-noded pentahedron
- Z_HEX08 = 8-noded hexahedron
- Z_HEX20 = 20-noded hexahedron
-
- Z_G_POINT = ghost node point element
- Z_G_BAR02 = 2 node ghost bar
- Z_G_BAR03 = 3 node ghost bar
- Z_G_TRI03 = 3 node ghost triangle
- Z_G_TRI06 = 6 node ghost triangle
- Z_G_QUA04 = 4 node ghost quad
- Z_G_QUA08 = 8 node ghost quad
- Z_G_TET04 = 4 node ghost tetrahedron
- Z_G_TET10 = 10 node ghost tetrahedron
- Z_G_PYR05 = 5 node ghost pyramid
- Z_G_PYR13 = 13 node ghost pyramid
- Z_G_PEN06 = 6 node ghost pentahedron
- Z_G_PEN15 = 15 node ghost pentahedron
- Z_G_HEX08 = 8 node ghost hexahedron
- Z_G_HEX20 = 20 node ghost hexahedron
-
- (Ignored unless Z_UNSTRUCTURED type)
-
- (Array will have been allocated
- Numparts_available by
- Z_MAXTYPE long)
-
- (OUT) max_ijk_dimensions = 2D array containing maximum ijk dimensions
- for each structured model part (over all time).
- ----------
- (Ignored if Z_UNSTRUCTURED type)
-
- (Array will have been allocated
- Numparts_available by 3 long)
-
- max_ijk_dimensions[][0] = maximum I dimension
- max_ijk_dimensions[][1] = maximum J dimension
- max_ijk_dimensions[][2] = maximum K dimension
-
- Notes:
- -----
- * You need to have first called USERD_get_number_of_model_parts and
- USERD_get_gold_part_build_info, so Numparts_available is known and
- so EnSight will know what the type is (Z_UNSTRUCTURED, Z_STRUCTURED,
- or Z_IBLANKED) of each part.
-
- * This will NOT be based on Current_time_step - it is to be the maximum
- values over all time!!
-
- * This information is optional. If you return Z_ERR, Ensight will still
- process things fine, reallocating as needed, etc. However, for
- large transient models you will likely use considerably more memory
- and take more processing time for the memory reallocations. So, if it
- is possible to provide this information "up front", it is recommended
- to do so.
-
-
---------------------------------------------------------------------
-USERD_get_model_extents
-
- Description:
- -----------
- Gets the model bounding box extents. If this routine supplys them
- EnSight will not have to spend time doing so. If this routine
- returns Z_ERR, EnSight will have to take the time to touch all the
- nodes and gather the extent info.
-
- Specification:
- -------------
- int USERD_get_model_extents(float extents[6])
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful (whereupon EnSight will determine by reading
- all coords of all parts)
-
- Arguments:
- ---------
- (OUT) extents[0] = min x
- [1] = max x
- [2] = min y
- [3] = max y
- [4] = min z
- [5] = max z
-
- Notes:
- -----
- * This will be based on Current_time_step
-
-
---------------------------------------------------------------------
-USERD_get_name_of_reader
-
- Description:
- -----------
- Gets the name of your user defined reader. The user interface will
- ask for this and include it in the available reader list.
-
- Specification:
- -------------
- int USERD_get_name_of_reader(char reader_name[Z_MAX_USERD_NAME],
- int *two_fields)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) reader_name = the name of the your reader or data format.
- (max length is Z_MAX_USERD_NAME, which is 20)
-
- (OUT) *two_fields = FALSE if only one data field required
- in the data dialog of EnSight.
- TRUE if two data fields required.
-
- Notes:
- -----
- * Always called. Please be sure to provide a name for your custom
- reader format.
-
---------------------------------------------------------------------
-USERD_get_nfaced_conn
-
- Description:
- -----------
- Gets the array containing the connectivity of nsided faces of nfaced elements
-
- Specification:
- -------------int
- int USERD_get_nfaced_conn(int part_number,
- int *nfaced_conn_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) part_number = the part number
-
- (OUT) nfaced_conn_array = 1D array of nsided face connectivies of nfaced
- elements
-
- (int array will have been allocated long enough to
- hold all the nsided face connectivities. Which is
- the sum of all the nodes per face values in the
- nfaced_npf_array of USERD_get_nfaced_nodes_per_face)
-
- Notes:
- -----
- * Will not be called unless there are some nfaced elements in the part
-
- * Providing nfaced information to Ensight:
-
- 1. In USERD_get_gold_part_build_info, provide the number of nfaced
- polyhedral elements in the part.
-
- 2. In USERD_get_part_elements_by_type, provide (in the conn_array),
- the number of faces per nfaced element. (as if connectivity
- length of an nfaced element is one)
-
- 3. In this routine, provide the streamed number of nodes per face
- for each of the faces of the nfaced elements.
-
-
- Simple example: 11 10 12
- +--------+-----+
- 2 nfaced elements: /| |\ /|
- (1 7-faced / | | \ / |
- 1 5-sided) / | | +9 |
- / | | /| |
- /7 | 8 / | |
- +-----------+/ | | |
- | |5 | |4 | |6
- | +-----|--+--|--+
- | / | \ | /
- | / | \|/3
- | / | +
- | / | /
- |/1 |2 /
- +-----------+/
-
- 1. In USERD_get_gold_part_build_info:
- number_of_elements[Z_NFACED] = 2
- .
- /|\
- |
- 2. In USERD_get_part_elements_by_type:
- length of conn_array will be: 2 x 1
- for element_type of Z_NFACED:
- conn_array[0][0] = 7 (for the 7-faced element)
- conn_array[1][0] = 5 (for the 5-faced element)
-
- ==
- Sum 12 <---------+
- |
- 3. In USERD_get_faced_nodes_per_face: |
- length of nfaced_npf_array will be: 12
-
- nfaced_npf_array[0] = 5 (5-noded top face of 7-faced element)
- nfaced_npf_array[1] = 5 (5-noded bot face of 7-faced element)
- nfaced_npf_array[2] = 4 (4-noded front face of 7-faced element)
- nfaced_npf_array[3] = 4 (4-noded left face of 7-faced element)
- nfaced_npf_array[4] = 4 (4-noded back face of 7-faced element)
- nfaced_npf_array[5] = 4 (4-noded right front face of 7-faced element)
- nfaced_npf_array[6] = 4 (4-noded right back face of 7-faced element)
-
- nfaced_npf_array[7] = 3 (3-noded top face of 5-faced element)
- nfaced_npf_array[8] = 3 (3-noded bot face of 5-faced element)
- nfaced_npf_array[9] = 4 (4-noded back face of 5-faced element)
- nfaced_npf_array[10] = 4 (4-noded right face of 5-faced element)
- nfaced_npf_array[11] = 4 (4-noded left front face of 5-faced element)
-
- ==
- Sum 48 <-------------+
- |
- 4. In this function: |
- length of the nfaced_conn_array will be: 48
-
- nsided_conn_array[0] = 7 (conn of 5-noded top face of 7-faced elem)
- nsided_conn_array[1] = 8
- nsided_conn_array[2] = 9
- nsided_conn_array[3] = 10
- nsided_conn_array[4] = 11
-
- nsided_conn_array[5] = 1 (conn of 5-noded bot face of 7-faced elem)
- nsided_conn_array[6] = 5
- nsided_conn_array[7] = 4
- nsided_conn_array[8] = 3
- nsided_conn_array[9] = 2
-
- nsided_conn_array[10] = 1 (conn of 4-noded front face of 7-faced elem)
- nsided_conn_array[11] = 2
- nsided_conn_array[12] = 8
- nsided_conn_array[13] = 7
-
- nsided_conn_array[14] = 5 (conn of 4-noded left face of 7-faced elem)
- nsided_conn_array[15] = 1
- nsided_conn_array[16] = 7
- nsided_conn_array[17] = 11
-
- nsided_conn_array[18] = 4 (conn of 4-noded back face of 7-faced elem)
- nsided_conn_array[19] = 5
- nsided_conn_array[20] = 11
- nsided_conn_array[21] = 10
-
- nsided_conn_array[22] = 2 (conn of 4-noded right front face of 7-faced)
- nsided_conn_array[23] = 3
- nsided_conn_array[24] = 9
- nsided_conn_array[25] = 8
-
- nsided_conn_array[26] = 3 (conn of 4-noded right back face of 7-faced)
- nsided_conn_array[27] = 4
- nsided_conn_array[28] = 10
- nsided_conn_array[29] = 9
-
- nsided_conn_array[30] = 9 (conn of 3-noded top face of 5-faced elem)
- nsided_conn_array[32] = 12
- nsided_conn_array[32] = 10
-
- nsided_conn_array[33] = 3 (conn of 3-noded bot face of 5-faced elem)
- nsided_conn_array[34] = 4
- nsided_conn_array[35] = 6
-
- nsided_conn_array[36] = 6 (conn of 4-noded back face of 5-faced elem)
- nsided_conn_array[37] = 4
- nsided_conn_array[38] = 10
- nsided_conn_array[39] = 12
-
- nsided_conn_array[40] = 3 (conn of 4-noded right face of 5-faced elem)
- nsided_conn_array[41] = 6
- nsided_conn_array[42] = 12
- nsided_conn_array[43] = 9
-
- nsided_conn_array[44] = 4 (conn of 4-noded left front face of 5-faced)
- nsided_conn_array[45] = 3
- nsided_conn_array[46] = 9
- nsided_conn_array[47] = 10
-
-
-
---------------------------------------------------------------------
-USERD_get_nfaced_nodes_per_face -
-
- Description:
- -----------
- Gets the array containing the number of nodes per face for each face
- of the nfaced elements.
-
- Specification:
- -------------
- int USERD_get_nfaced_nodes_per_face(int part_number,
- int *nfaced_npf_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) part_number = the part number
-
- (OUT) nfaced_npf_array = 1D array of nodes per face for all faces of
- nfaced elements
-
- (int array will have been allocated long enough
- to hold all the nodes_per_face values. Which is
- the sum of all the number of faces per element
- values in the conn_array of
- USERD_get_part_elements_by_type)
-
- Notes:
- -----
- * Will not be called unless there are some nfaced elements in the
- the part
-
- * Providing nfaced information to Ensight:
-
- 1. In USERD_get_gold_part_build_info, provide the number of nfaced
- polyhedral elements in the part.
-
- 2. In USERD_get_part_elements_by_type, provide (in the conn_array),
- the number of faces per nfaced element. (as if connectivity
- length of an nfaced element is one)
-
- 3. In this routine, provide the streamed number of nodes per face
- for each of the faces of the nfaced elements.
-
-
- Simple example: 11 10 12
- +--------+-----+
- 2 nfaced elements: /| |\ /|
- (1 7-faced / | | \ / |
- 1 5-sided) / | | +9 |
- / | | /| |
- /7 | 8 / | |
- +-----------+/ | | |
- | |5 | |4 | |6
- | +-----|--+--|--+
- | / | \ | /
- | / | \|/3
- | / | +
- | / | /
- |/1 |2 /
- +-----------+/
-
- 1. In USERD_get_gold_part_build_info:
- number_of_elements[Z_NFACED] = 2
- .
- /|\
- |
- 2. In USERD_get_part_elements_by_type:
- length of conn_array will be: 2 x 1
- for element_type of Z_NFACED:
- conn_array[0][0] = 7 (for the 7-faced element)
- conn_array[1][0] = 5 (for the 5-faced element)
-
- ==
- Sum 12 <---------+
- |
- 3. In this routine: |
- length of nfaced_npf_array will be: 12
-
- nfaced_npf_array[0] = 5 (5-noded top face of 7-faced element)
- nfaced_npf_array[1] = 5 (5-noded bot face of 7-faced element)
- nfaced_npf_array[2] = 4 (4-noded front face of 7-faced element)
- nfaced_npf_array[3] = 4 (4-noded left face of 7-faced element)
- nfaced_npf_array[4] = 4 (4-noded back face of 7-faced element)
- nfaced_npf_array[5] = 4 (4-noded right front face of 7-faced element)
- nfaced_npf_array[6] = 4 (4-noded right back face of 7-faced element)
-
- nfaced_npf_array[7] = 3 (3-noded top face of 5-faced element)
- nfaced_npf_array[8] = 3 (3-noded bot face of 5-faced element)
- nfaced_npf_array[9] = 4 (4-noded back face of 5-faced element)
- nfaced_npf_array[10] = 4 (4-noded right face of 5-faced element)
- nfaced_npf_array[11] = 4 (4-noded left front face of 5-faced element)
-
- ==
- Sum 48 <-------------+
- |
- 4. In USERD_get_nfaced_conn: |
- length of the nfaced_conn_array will be: 48
-
- nsided_conn_array[0] = 7 (conn of 5-noded top face of 7-faced elem)
- nsided_conn_array[1] = 8
- nsided_conn_array[2] = 9
- nsided_conn_array[3] = 10
- nsided_conn_array[4] = 11
-
- nsided_conn_array[5] = 1 (conn of 5-noded bot face of 7-faced elem)
- nsided_conn_array[6] = 5
- nsided_conn_array[7] = 4
- nsided_conn_array[8] = 3
- nsided_conn_array[9] = 2
-
- nsided_conn_array[10] = 1 (conn of 4-noded front face of 7-faced elem)
- nsided_conn_array[11] = 2
- nsided_conn_array[12] = 8
- nsided_conn_array[13] = 7
-
- nsided_conn_array[14] = 5 (conn of 4-noded left face of 7-faced elem)
- nsided_conn_array[15] = 1
- nsided_conn_array[16] = 7
- nsided_conn_array[17] = 11
-
- nsided_conn_array[18] = 4 (conn of 4-noded back face of 7-faced elem)
- nsided_conn_array[19] = 5
- nsided_conn_array[20] = 11
- nsided_conn_array[21] = 10
-
- nsided_conn_array[22] = 2 (conn of 4-noded right front face of 7-faced)
- nsided_conn_array[23] = 3
- nsided_conn_array[24] = 9
- nsided_conn_array[25] = 8
-
- nsided_conn_array[26] = 3 (conn of 4-noded right back face of 7-faced)
- nsided_conn_array[27] = 4
- nsided_conn_array[28] = 10
- nsided_conn_array[29] = 9
-
- nsided_conn_array[30] = 9 (conn of 3-noded top face of 5-faced elem)
- nsided_conn_array[32] = 12
- nsided_conn_array[32] = 10
-
- nsided_conn_array[33] = 3 (conn of 3-noded bot face of 5-faced elem)
- nsided_conn_array[34] = 4
- nsided_conn_array[35] = 6
-
- nsided_conn_array[36] = 6 (conn of 4-noded back face of 5-faced elem)
- nsided_conn_array[37] = 4
- nsided_conn_array[38] = 10
- nsided_conn_array[39] = 12
-
- nsided_conn_array[40] = 3 (conn of 4-noded right face of 5-faced elem)
- nsided_conn_array[41] = 6
- nsided_conn_array[42] = 12
- nsided_conn_array[43] = 9
-
- nsided_conn_array[44] = 4 (conn of 4-noded left front face of 5-faced)
- nsided_conn_array[45] = 3
- nsided_conn_array[46] = 9
- nsided_conn_array[47] = 10
-
-
-
-
---------------------------------------------------------------------
-USERD_get_node_label_status
-
- Description:
- -----------
- Answers the question as to whether node labels will be provided.
-
- Specification:
- -------------
- int USERD_get_node_label_status( void )
-
- Returns:
- -------
- TRUE if node labels will be provided
- FALSE if node labels will NOT be provided
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * Node ids are needed in order to do any node querying, or node
- labeling on-screen within EnSight.
-
- * Prior to API 2.01:
- -----------------
- For unstructured parts, you can read them from your file if
- available, or can assign them, etc. They need to be unique
- per part, and are often unique per model. They must also be
- positive numbers greater than zero.
-
- USERD_get_part_node_ids is used to obtain the ids, if the
- status returned here is TRUE.
-
- (Unlike API 1.0, where the connectivity of elements had to be
- according to the node ids - API 2.0's element connectivities
- are not affected either way by the status here.)
-
- For structured parts, EnSight will assign ids if you return a
- status of TRUE here. You cannot assign them yourself!!
-
- * Starting at API 2.01:
- --------------------
- For both unstructured and structured parts, you can read them
- from your file if available, or can assign them, etc. They need
- to be unique per part, and are often unique per model. They must
- also be positive numbers greater than zero.
-
- USERD_get_part_node_ids is used to obtain the ids, if the
- status returned here is TRUE.
-
- * Will call USERD_get_part_node_ids for each part if this routine
- returns TRUE.
-
---------------------------------------------------------------------
-USERD_get_nsided_conn -
-
- Description:
- -----------
- Gets the array containing the connectivity of nsided elements
-
- Specification:
- -------------
- int USERD_get_nsided_conn(int part_number,
- int *nsided_conn_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) part_number = the part number
-
- (OUT) nsided_conn_array = 1D array of nsided connectivies
-
- (int array will have been allocated long enough
- to hold all the nsided connectivities. Which is
- the sum of all the nodes_per_element values in
- the conn_array of USERD_get_part_elements_by_type)
-
-
- Notes:
- -----
- * Will not be called unless there are some nsided elements in the the part.
-
- * Providing nsided information to Ensight:
-
- 1. In USERD_get_gold_part_build_info, provide the number of nsided
- elements in the part.
-
- 2. In USERD_get_part_elements_by_type, provide (in the conn_array),
- the number of nodes per nsided element. (as if connectivity
- length of an nsided element is one)
-
- 3. In this routine, provide the streamed connectivities for each of the
- nsided elements.
-
-
- Simple example: 5 6
- +--------+
- 3 nsided elements: /| \
- (1 4-sided / | \
- 1 3-sided / | \
- 1 7-sided) / | \ 7
- /3 |4 +
- +-----+ |
- | | |
- | | |8
- | | +
- | | /
- | | /
- | | /
- |1 |2 /9
- +-----+--------+
-
- 1. In USERD_get_gold_part_build_info:
- number_of_elements[Z_NSIDED] = 3
- .
- /|\
- |
- 2. In USERD_get_part_elements_by_type:
- length of conn_array will be: 3 x 1
-
- for element_type of Z_NSIDED:
- conn_array[0][0] = 4 (for the 4-sided element)
- conn_array[1][0] = 3 (for the 3-sided element)
- conn_array[2][0] = 7 (for the 7-sided element)
-
- Sum ===
- 14 <---------+
- |
- 3. In this routine: |
- length of nsided_conn_array will be: 14
-
- nsided_conn_array[0] = 1 (connectivity of 4-sided element)
- nsided_conn_array[1] = 2
- nsided_conn_array[2] = 4
- nsided_conn_array[3] = 3
-
- nsided_conn_array[4] = 3 (connectivity of 3-sided element)
- nsided_conn_array[5] = 4
- nsided_conn_array[6] = 5
-
- nsided_conn_array[7] = 2 (connectivity of 7-sided element)
- nsided_conn_array[8] = 9
- nsided_conn_array[9] = 8
- nsided_conn_array[10] = 7
- nsided_conn_array[11] = 6
- nsided_conn_array[12] = 5
- nsided_conn_array[13] = 4
-
-
-
-
---------------------------------------------------------------------
-USERD_get_num_of_time_steps
-
- Description:
- -----------
- Gets the number of time steps of data available for desired timeset.
-
- Specification:
- -------------
- int USERD_get_num_of_time_steps( int timeset_number )
-
- Returns:
- -------
- Number of time steps in timeset (>0 if okay, <=0 if problems).
-
- Arguments:
- ---------
- (IN) timeset number = the timeset number
-
- For example: If USERD_get_number_of_timesets
- returns 2, the valid
- timeset_number's would be 1 and 2
-
- Notes:
- -----
- * This should be >= 1 1 indicates a static model
- >1 indicates a transient model
-
- * Num_time_steps[timeset_number] would be set here
-
-
-
---------------------------------------------------------------------
-USERD_get_number_of_files_in_dataset
-
- Description:
- -----------
- Get the total number of files in the dataset. Used for the
- dataset query option within EnSight.
-
- Specification:
- -------------
- int USERD_get_number_of_files_in_dataset( void )
-
- Returns:
- -------
- The total number of files in the dataset.
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * You can be as complete as you want about this. If you don't
- care about the dataset query option, return a value of 0
- If you only want certain files, you can just include them. But,
- you will need to supply the info in USERD_get_dataset_query_file_info
- for each file you include here.
-
- * Num_dataset_files would be set here
-
-
---------------------------------------------------------------------
-USERD_get_number_of_material_sets -
-
- Description:
- -----------
- Get the number of material sets in the model
-
- Specification:
- -------------
- int USERD_get_number_of_material_sets( void )
-
-
- Returns:
- -------
- Num_material_sets = number of material sets
- (Zero would indicate that you have no materials
- to deal with in the model)
-
- or
-
- -1 if an error condition
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * You may want to keep this as a global for use in other routines.
-
- ###############################################################
- NOTE: For EnSight 7.6, only one material set is supported
- within EnSight.
- Thus the only valid returns here are:
- 0 (no materials)
- 1 (for the one material set allowed)
- or -1 (if an error)
-
- If the casefile has more than this, this reader will
- read them, but EnSight will issue an error message and
- choke on them!
- ###############################################################
-
- ================================================================
- A very simple explanatory example, to use as a reference for the
- materials routines:
-
- Given a 2D mesh composed of 9 quad (Z_QUA04) elements, with two materials.
- Most of the model is material 1, but the top left corner is material 9 -
- basically as shown:
-
-
- *--------*--------*--------*
- | | / | |
- | Mat 9 / | |
- | | / | |
- | |/ | |
- | e7 / e8 | e9 |
- | /| | |
- | / | | |
- | / | | |
- *----/---*--------*--------*
- | / | | |
- | / | | |
- | / | Mat 1 |
- |/ | | |
- | e4 | e5 | e6 |
- | | | |
- | | | |
- | | | |
- *--------*--------*--------*
- | | | |
- | | | |
- | | | |
- | | | |
- | e1 | e2 | e3 |
- | | | |
- | | | |
- | | | |
- *--------*--------*--------*
-
-
- Thus, in this routine, set:
- Num_material_sets = 1
-
- In USERD_get_matf_set_info, set:
- mat_set_ids[0] = 1
- mat_set_name[0] = "Material Set 1" (or whatever name desired)
-
- In USERD_get_number_of_materials, input would be set_index = 0, and
- would need to set:
- Num_materials[0] = 2
-
- For simplicity, the ids and descriptions that would be returned in
- USERD_get_matf_var_info could be:
- mat_ids[0] = 1
- mat_ids[1] = 9
- mat_desc[0] = "mat 1" (or whatever desired)
- mat_desc[2] = "mat 9"
-
- The per element material ids list would need to be:
-
- material ids:
- -------------
- ids_list[0] = 1 (material id 1, for elem e1)
- ids_list[1] = 1 ( " e2)
- ids_list[2] = 1 ( " e3)
- ids_list[3] = -1 (negative of index into mixed-material id list, for elem e4)
- ids_list[5] = 1 (material id 1, for elem e5)
- ids_list[5] = 1 ( " e6)
- ids_list[5] = -5 (negative of index into mixed-material id list, for elem e7)
- ids_list[5] = -9 ( " e8)
- ids_list[5] = 1 (material id 1, for elem e9)
-
- Finally we need the mixed material ids list and the mixed materials values list,
- which would need to be:
-
- mixed-material ids:
- -------------------
- ==> 1 ids_list[0] = 2 (the -1 in the material variable points here,
- 2 indicates that two materials are present)
- 2 ids_list[1] = 1 (1st material is 1)
- 3 ids_list[2] = 9 (2nd material is 9)
- 4 ids_list[3] = -1 (negative of index into mixed-material val_list)
- ==> 5 ids_list[4] = 2 (the -5 in the material variable points here,
- 2 indicates that two materials are present)
- 6 ids_list[5] = 1 (1st material is 1)
- 7 ids_list[6] = 9 (2nd material is 9)
- 8 ids_list[7] = -3 (negative of index into mixed-material val_list)
- ==> 9 ids_list[8] = 2 etc.
- 10 ids_list[9] = 1
- 11 ids_list[10] = 9
- 12 ids_list[11] = -5
-
- mixed-material values:
- ----------------------
- ==> 1 val_list[0] = 0.875 (the -1 in the mixed-material ids_list points here,
- and this is the value for material 1)
- 2 val_list[1] = 0.125 (the value for material 9)
- ==> 3 val_list[2] = 0.125 (the -3 in the mixed-materials ids_list points here)
- 4 val_list[3] = 0.875
- ==> 5 val_list[4] = 0.875 (the -5 in the mixed-materials ids_list points here)
- 6 val_list[5] = 0.125
-
- So, USERD_size_matf_data would need to return
- matf_size = 8, when called with set_id = 1
- part_id = 1
- wtyp = Z_QUA04
- mat_type = Z_MAT_INDEX
-
- matf_size = 12, when called with set_id = 1
- part_id = 1
- mat_type = Z_MIX_INDEX
-
- = 6, when called with set_id = 1
- part_id = 1
- mat_type = Z_MIX_VALUE
-
- And, USERD_load_matf_data would need to return:
- the int array ids_list as shown above when called with:
- set_id = 1
- part_id = 1
- wtyp = Z_QUA04
- mat_type = Z_MAT_INDEX (indicating id list).
-
- the int array ids_list as shown above when called with:
- set_id = 1
- part_id = 1
- mat_type = Z_MIX_INDEX (indicating id list).
-
- the float array val_list as shown above when called with:
- set_id = 1
- part_id = 1
- mat_type = Z_MIX_VALUE (indicating val list).
-
-
--------------------------------------------------------------------------
-USERD_get_number_of_materials
-
- Description:
- -----------
- Gets the number of materials in the material set
-
- Specification:
- -------------
- int USERD_get_number_of_materials( int set_index )
-
- Returns:
- -------
- Num_materials[set_index] = Number of materials in the set
- 0 indicates no materials information present
- -1 indicates an error
- Arguments:
- ---------
- (IN) set_index = the material set index (zero based)
-
- Notes:
- -----
- * See USERD_get_number_of_material_sets header for explanatory example
- * Will not be called if Num_material_sets is zero
- * You may want to keep this as a global for use in other routines.
-
-
-
---------------------------------------------------------------------
-USERD_get_number_of_model_parts
-
- Description:
- -----------
- Gets the total number of unstructured and structured parts
- in the model, for which you can supply information.
-
- Specification:
- -------------
- int USERD_get_number_of_model_parts( void )
-
- Returns:
- -------
- Number of parts (>0 if okay, <=0 if problems).
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * If going to have to read down through the parts in order to
- know how many, you may want to build a table of pointers to
- the various parts, so you can easily get to particular parts in
- later processes. If you can simply read the number of parts
- at the head of the file, then you would probably not build the
- table at this time.
-
- * This routine would set Numparts_available, which is equal to
- Num_unstructured_parts + Num_structured_blocks.
-
-
-
---------------------------------------------------------------------
-USERD_get_number_of_timesets
-
- Description:
- -----------
- Gets the number of timesets used in the model.
-
- Specification:
- -------------
- int USERD_get_number_of_timesets( void )
-
- Returns:
- -------
- Number of timesets in the model
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * Num_timesets would be set here
-
- * If you have a static model, both geometry and variables, you should
- return a value of zero.
-
- * If you have a transient model, then you should return one or more.
-
- For example:
-
- Geometry Variables No. of timesets
- --------- ------------------------------ ---------------
- static static 0
- static transient, all using same timeset 1
-
- transient transient, all using same timeset as geom 1
-
- static transient, using 3 different timesets 3
-
- transient transient, using 3 different timesets and
- none of them the same as the
- geometry timeset 4
- etc.
-
- NOTE: ALL GEOMETRY MUST USE THE SAME TIMESET!!! You will have to provide
- the timeset number to use
- for geometry in:
- USERD_get_geom_timeset_number
-
- Variables can use the same timeset as the geometry, or can use
- other timesets. More than one variable can use the same timeset.
-
- example: changing geometry at 5 steps, 0.0, 1.0, 2.0, 3.0, 4.0
- variable 1 provided at these same five steps
- variable 2 provided at 3 steps, 0.5, 1.25, 3.33
-
- This routine should return a value of 2, because only
- two different timesets are needed. Timeset 1 would be for the
- geometry and variable 1 (they both use it). Timeset 2 would
- be for variable 2, which needs its own in this case.
-
-
-
-
-
---------------------------------------------------------------------
-USERD_get_number_of_variables
-
- Description:
- -----------
- Get the number of variables for which you will be providing info.
-
- Specification:
- -------------
- int USERD_get_number_of_variables( void )
-
- Returns:
- -------
- Number of variables (includes constant, scalar, vector and tensor types)
- (>=0 if okay, <0 if problem)
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- *****************************************************************
- * Variable numbers, by which references will be made, are implied
- here. If you say there are 3 variables, the variable numbers
- will be 1, 2, and 3.
- *****************************************************************
-
- * Num_variables would be set here
-
-
-
---------------------------------------------------------------------
-USERD_get_part_coords
-
- Description:
- -----------
- Gets the coordinates for an unstructured part.
-
- Specification:
- -------------
- int USERD_get_part_coords(int part_number, float **coord_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) part_number = The part number
- (1-based index of part table, namely:
-
- 1 ... Numparts_available.
-
- It is NOT the part_id that
- is loaded in USERD_get_gold_part_build_info)
-
- (OUT) coord_array = 2D float array which contains,
- x,y,z coordinates of each node
- in the part.
-
- (IMPORTANT: The second dimension of this aray is 1-based!!!)
-
- (Array will have been allocated
- 3 by (number_of_nodes + 1) for the part
- long - see USERD_get_gold_part_build_info)
-
-
- ex) If number_of_nodes = 100
- as obtained in:
- USERD_get_gold_part_build_info
-
- Then the allocated dimensions of the
- pointer sent to this routine will be:
- coord_array[3][101]
-
- Ignore the coord_array[0][0]
- coord_array[1][0]
- coord_array[2][0] locations and start
- the node coordinates at:
- coord_array[0][1]
- coord_array[1][1]
- coord_array[2][1]
-
- coord_array[0][2]
- coord_array[1][2]
- coord_array[2][2]
-
- etc.
-
- Notes:
- -----
- * Not called unless Num_unstructured_parts is > 0
-
- * Will be based on Current_time_step
-
-
---------------------------------------------------------------------
-USERD_get_part_element_ids_by_type
-
- Description:
- -----------
- Gets the ids for the elements of a particular type for an unstructured
- or structured part.
-
- Specification:
- -------------
- int USERD_get_part_element_ids_by_type(int part_number,
- int element_type,
- int *elemid_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) part_number = The part number
- (1-based index of part table, namely:
-
- 1 ... Numparts_available.
-
- It is NOT the part_id that
- is loaded in USERD_get_gold_part_build_info)
-
- (IN) element_type = One of the following (See global_extern.h)
- Z_POINT node point element
- Z_BAR02 2 node bar
- Z_BAR03 3 node bar
- Z_TRI03 3 node triangle
- Z_TRI06 6 node triangle
- Z_QUA04 4 node quad
- Z_QUA08 8 node quad
- Z_TET04 4 node tetrahedron
- Z_TET10 10 node tetrahedron
- Z_PYR05 5 node pyramid
- Z_PYR13 13 node pyramid
- Z_PEN06 6 node pentahedron
- Z_PEN15 15 node pentahedron
- Z_HEX08 8 node hexahedron
- Z_HEX20 20 node hexahedron
-
- Z_G_POINT ghost node point element
- Z_G_BAR02 2 node ghost bar
- Z_G_BAR03 3 node ghost bar
- Z_G_TRI03 3 node ghost triangle
- Z_G_TRI06 6 node ghost triangle
- Z_G_QUA04 4 node ghost quad
- Z_G_QUA08 8 node ghost quad
- Z_G_TET04 4 node ghost tetrahedron
- Z_G_TET10 10 node ghost tetrahedron
- Z_G_PYR05 5 node ghost pyramid
- Z_G_PYR13 13 node ghost pyramid
- Z_G_PEN06 6 node ghost pentahedron
- Z_G_PEN15 15 node ghost pentahedron
- Z_G_HEX08 8 node ghost hexahedron
- Z_G_HEX20 20 node ghost hexahedron
-
- (OUT) elemid_array = 1D array containing id of each
- element of the type.
-
- (Array will have been allocated
- number_of_elements of the type long)
-
- ex) If number_of_elements[Z_TRI03] = 25
- number_of_elements[Z_QUA04] = 100
- number_of_elements[Z_HEX08] = 30
- as obtained in:
- USERD_get_gold_part_build_info
-
- Then the allocated dimensions available
- for this routine will be:
- conn_array[25] when called with Z_TRI03
-
- conn_array[100] when called with Z_QUA04
-
- conn_array[30] when called with Z_HEX08
-
- Notes:
- -----
- * Not called unless element label status is set to TRUE in
- USERD_get_element_label_status
-
- * Will be based on Current_time_step
-
-
-
---------------------------------------------------------------------
-USERD_get_part_elements_by_type
-
- Description:
- -----------
- Gets the connectivities for the elements of a particular type in an
- unstructured part
-
- Specification:
- -------------
- int USERD_get_part_elements_by_type(int part_number,
- int element_type,
- int **conn_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) part_number = The part number
- (1-based index of part table, namely:
-
- 1 ... Numparts_available.
-
- It is NOT the part_id that
- is loaded in USERD_get_gold_part_build_info)
-
- (IN) element_type = One of the following (See global_extern.h)
- Z_POINT node point element
- Z_BAR02 2 node bar
- Z_BAR03 3 node bar
- Z_TRI03 3 node triangle
- Z_TRI06 6 node triangle
- Z_QUA04 4 node quad
- Z_QUA08 8 node quad
- Z_TET04 4 node tetrahedron
- Z_TET10 10 node tetrahedron
- Z_PYR05 5 node pyramid
- Z_PYR13 13 node pyramid
- Z_PEN06 6 node pentahedron
- Z_PEN15 15 node pentahedron
- Z_HEX08 8 node hexahedron
- Z_HEX20 20 node hexahedron
-
- Z_G_POINT ghost node point element
- Z_G_BAR02 2 node ghost bar
- Z_G_BAR03 3 node ghost bar
- Z_G_TRI03 3 node ghost triangle
- Z_G_TRI06 6 node ghost triangle
- Z_G_QUA04 4 node ghost quad
- Z_G_QUA08 8 node ghost quad
- Z_G_TET04 4 node ghost tetrahedron
- Z_G_TET10 10 node ghost tetrahedron
- Z_G_PYR05 5 node ghost pyramid
- Z_G_PYR13 13 node ghost pyramid
- Z_G_PEN06 6 node ghost pentahedron
- Z_G_PEN15 15 node ghost pentahedron
- Z_G_HEX08 8 node ghost hexahedron
- Z_G_HEX20 20 node ghost hexahedron
-
-
- (OUT) conn_array = 2D array containing connectivity
- of each element of the type.
-
- (Array will have been allocated
- num_of_elements of the type by
- connectivity length of the type)
-
- ex) If number_of_elements[Z_TRI03] = 25
- number_of_elements[Z_QUA04] = 100
- number_of_elements[Z_HEX08] = 30
- as obtained in:
- USERD_get_gold_part_build_info
-
- Then the allocated dimensions available
- for this routine will be:
- conn_array[25][3] when called with Z_TRI03
-
- conn_array[100][4] when called with Z_QUA04
-
- conn_array[30][8] when called with Z_HEX08
-
- Notes:
- -----
- * Not called unless Num_unstructured_parts is > 0
-
- * Will be based on Current_time_step
-
-
---------------------------------------------------------------------
-USERD_get_part_node_ids
-
- Description:
- -----------
- Gets the node ids of an unstructured or structured part.
-
- Specification:
- -------------
- int USERD_get_part_node_ids(int part_number, int *nodeid_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) part_number = The part number
- (1-based index of part table, namely:
-
- 1 ... Numparts_available.
-
- It is NOT the part_id that
- is loaded in USERD_get_gold_part_build_info)
-
- (OUT) nodeid_array = 1D array containing node ids of
- each node in the part.
-
- (IMPORTANT: This array is 1-based!!!)
-
- (Array will have been allocated
- (number_of_nodes + 1) for the part long
- see USERD_get_gold_part_build_info)
-
- ex) If number_of_nodes = 100
- as obtained in:
- USERD_get_gold_part_build_info
-
- Then the allocated dimensions of the
- pointer sent to this routine will be:
- nodeid_array[101]
-
- Ignore the nodeid_array[0] location and start
- the node ids at:
- nodeid_array[1]
-
- nodeid_array[2]
-
- etc.
-
- Notes:
- -----
- * Not called unless node label status is TRUE, as returned from
- USERD_get_node_label_status
-
- * Will be based on Current_time_step
-
- * The ids are purely labels, used when displaying or querying node ids.
- However, any node id < 0 will never be displayed
-
-
---------------------------------------------------------------------
-USERD_get_reader_descrip
-
- Description:
- -----------
- Gets the description of the reader, so gui can give more info
-
- Specification:
- -------------
- int USERD_get_reader_descrip(char descrip[Z_MAXFILENP])
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) descrip = the description of the reader (max length is MAXFILENP,
- which is 255)
-
- Notes:
- -----
- * OPTIONAL ROUTINE! You can have it or not.
-
-
-
---------------------------------------------------------------------
-USERD_get_reader_version
-
- Description:
- -----------
- Gets the version number of the user defined reader
-
- Specification:
- -------------
- int USERD_get_reader_version(char version_number[Z_MAX_USERD_NAME])
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful (and will assume is version 1.0)
-
- Arguments:
- ---------
- (OUT) version_number = the version number of the reader
- (max length is Z_MAX_USERD_NAME, which
- is 20)
-
- Notes:
- -----
- * This needs to be "2.000" or greater. Otherwise EnSight will assume
- this reader is API 1.0
-
- * should set it to "2.010" for this version of the API
-
-
-
-
---------------------------------------------------------------------
-USERD_get_sol_times
-
- Description:
- -----------
- Get the solution times associated with each time step for
- desired timeset.
-
- Specification:
- -------------
- int USERD_get_sol_times(int timeset_number,
- float *solution_times)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) timeset_number = the timeset number
-
- For example: If USERD_get_number_of_timesets
- returns 2, the valid
- timeset_number's would be 1 and 2
-
- (OUT) solution_times = 1D array of solution times per time step
-
- (Array will have been allocated
- Num_time_steps[timeset_number] long)
-
- Notes:
- -----
- * The solution times must be non-negative and increasing.
-
-
-
---------------------------------------------------------------------
-USERD_get_timeset_description -
-
- Description:
- -----------
- Get the description to associate with the desired timeset.
-
- Specification:
- -------------
- int USERD_get_timeset_description(int timeset_number,
- char timeset_description[Z_BUFL])
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) timeset_number = the timeset number
-
- For example: If USERD_get_number_of_timesets
- returns 2, the valid
- timeset_number's would be 1 and 2
-
- (OUT) timeset_description = timeset description string
-
-
- Notes:
- -----
- * A string of NULLs is valid for timeset_description
-
-
-
-
---------------------------------------------------------------------
-USERD_get_var_by_component
-
- Description:
- -----------
- Gets the values of a variable component. Both unstructured and structured
- parts use this routine.
-
- if Z_PER_NODE:
- Get the component value at each node for a given variable in the part.
-
- or if Z_PER_ELEM:
- Get the component value at each element of a specific part and type
- for a given variable.
-
- Specification:
- -------------
- int USERD_get_var_by_component(int which_variable,
- int which_part,
- int var_type,
- int which_type,
- int imag_data,
- int component,
- float *var_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- or: Z_UNDEF, in which case you need not load any values into var_array
-
-
- Arguments:
- ---------
- (IN) which_variable = The variable number
-
- (IN) which_part Since EnSight Version 7.4
- -------------------------
- = The part number
-
- (1-based index of part table, namely:
-
- 1 ... Numparts_available.
-
- It is NOT the part_id that
- is loaded in USERD_get_gold_part_build_info)
-
- Prior to EnSight Version 7.4
- ----------------------------
- = The part id This is the part_id label loaded
- in USERD_get_gold_part_build_info.
- It is NOT the part table index.
-
- (IN) var_type = Z_SCALAR
- Z_VECTOR
- Z_TENSOR (symmetric tensor)
- Z_TENSOR9 (asymmetric tensor)
-
- (IN) which_type
-
- if Z_PER_NODE: Not used
-
- if Z_PER_ELEM: = The element type
- Z_POINT node point element
- Z_BAR02 2 node bar
- Z_BAR03 3 node bar
- Z_TRI03 3 node triangle
- Z_TRI06 6 node triangle
- Z_QUA04 4 node quad
- Z_QUA08 8 node quad
- Z_TET04 4 node tetrahedron
- Z_TET10 10 node tetrahedron
- Z_PYR05 5 node pyramid
- Z_PYR13 13 node pyramid
- Z_PEN06 6 node pentahedron
- Z_PEN15 15 node pentahedron
- Z_HEX08 8 node hexahedron
- Z_HEX20 20 node hexahedron
-
- Z_G_POINT ghost node point element
- Z_G_BAR02 2 node ghost bar
- Z_G_BAR03 3 node ghost bar
- Z_G_TRI03 3 node ghost triangle
- Z_G_TRI06 6 node ghost triangle
- Z_G_QUA04 4 node ghost quad
- Z_G_QUA08 8 node ghost quad
- Z_G_TET04 4 node ghost tetrahedron
- Z_G_TET10 10 node ghost tetrahedron
- Z_G_PYR05 5 node ghost pyramid
- Z_G_PYR13 13 node ghost pyramid
- Z_G_PEN06 6 node ghost pentahedron
- Z_G_PEN15 15 node ghost pentahedron
- Z_G_HEX08 8 node ghost hexahedron
- Z_G_HEX20 20 node ghost hexahedron
-
- (IN) imag_data = TRUE if imag component
- FALSE if real component
-
- (IN) component = The component: (0 if Z_SCALAR)
- (0 - 2 if Z_VECTOR)
- (0 - 5 if Z_TENSOR)
- (0 - 8 if Z_TENSOR9)
-
- * 6 Symmetric Indicies, 0:5 *
- * ---------------------------- *
- * | 11 12 13 | | 0 3 4 | *
- * | | | | *
- * T = | 22 23 | = | 1 5 | *
- * | | | | *
- * | 33 | | 2 | *
-
-
- * 9 General Indicies, 0:8 *
- * ---------------------------- *
- * | 11 12 13 | | 0 3 4 | *
- * | | | | *
- * T = | 21 22 23 | = | 6 1 5 | *
- * | | | | *
- * | 31 32 33 | | 7 8 2 | *
-
- (OUT) var_array
-
- -----------------------------------------------------------------------
- (IMPORTANT: this array is 1-based for both Z_PER_NODE and Z_PER_ELEM!!!)
- -----------------------------------------------------------------------
-
- if Z_PER_NODE: = 1D array containing variable component value
- for each node.
-
- (Array will have been allocated
- (number_of_nodes + 1) long)
-
- Info stored in this fashion:
- var_array[0] = not used
- var_array[1] = var component for node 1 of part
- var_array[2] = var_component for node 2 of part
- var_array[3] = var_component for node 3 of part
- etc.
-
- if Z_PER_ELEM: = 1D array containing variable component
- value for each element of a particular
- part and type.
-
- (Array will have been allocated
- (number_of_elements[which_part][which_type] + 1)
- long. See USERD_get_gold_part_build_info)
-
- Info stored in this fashion:
- var_array[1] = var component for elem 1 (of part and type)
- var_array[2] = var component for elem 2 (of part and type)
- var_array[3] = var component for elem 3 (of part and type)
- etc.
-
- Notes:
- -----
- * Not called unless Num_variables is > 0
-
- * The per_node or per_elem classification must be obtainable from the
- variable number (a var_classify array needs to be retained)
-
- * Will be based on Current_time_step
-
- * If the variable is not defined for this part, simply return with a
- value of Z_UNDEF. EnSight will treat the variable as undefined for
- this part.
-
-
---------------------------------------------------------------------
-USERD_get_var_value_at_specific
-
- Description:
- -----------
- if Z_PER_NODE:
- Get the value of a particular variable at a particular node in a
- particular part at a particular time.
-
- or if Z_PER_ELEM:
- Get the value of a particular variable at a particular element of
- a particular type in a particular part at a particular time.
-
-
- Specification:
- -------------
- int USERD_get_var_value_at_specific(int which_var,
- int which_node_or_elem,
- int which_part,
- int which_elem_type,
- int time_step,
- float values[3],
- int imag_data)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) which_var = The variable number
-
- (IN) which_node_or_elem
-
- If Z_PER_NODE:
- = The node number. This is not the id, but is
- the index of the global node
- list (1 based), or the block's
- node list (1 based).
-
- Thus, coord_array[1]
- coord_array[2]
- coord_array[3]
- . |
- . |which_node_or_elem index
- . ----
-
-
- If Z_PER_ELEM:
- = The element number. This is not the id, but is
- the element number index
- of the number_of_element array
- (see USERD_get_gold_part_build_info),
- or the block's element list (1 based).
-
- Thus, for which_part:
- conn_array[which_elem_type][0]
- conn_array[which_elem_type][1]
- conn_array[which_elem_type][2]
- . |
- . which_node_or_elem index
- . ----
-
-
- (IN) which_part Since EnSight Version 7.4
- -------------------------
- = The part number
-
- (1-based index of part table, namely:
-
- 1 ... Numparts_available.
-
- It is NOT the part_id that
- is loaded in USERD_get_gold_part_build_info)
-
- Prior to EnSight Version 7.4
- ----------------------------
- = The part id This is the part_id label loaded
- in USERD_get_gold_part_build_info.
- It is NOT the part table index.
-
-
- (IN) which_elem_type
-
- If Z_PER_NODE, or block part:
- = Not used
-
- If Z_PER_ELEM:
- = The element type. This is the element type index
- of the number_of_element array
- (see USERD_get_gold_part_build_info)
-
- (IN) time_step = The time step
-
- (IN) imag_data = TRUE if want imaginary value.
- FALSE if want real value.
-
- (OUT) values = scalar or vector component value(s)
- values[0] = scalar or vector[0]
- values[1] = vector[1]
- values[2] = vector[2]
-
-
- Notes:
- -----
- * This routine is used in node querys over time (or element querys over
- time for Z_PER_ELEM variables). If these operations are not critical
- to you, this can be a dummy routine.
-
- * The per_node or per_elem classification must be obtainable from the
- variable number (a var_classify array needs to be retained)
-
- * The time step given is for the proper variable timeset.
-
-
-----------------------------------------------------------------------
-USERD_load_matf_data
-
- Description:
- -----------
- Get the material id list, mixed-material id list, or
- mixed-material values list for the given material set and part (and
- element type if material id list)
-
- Specification:
- -------------
- int USERD_load_matf_data( int set_index,
- int part_id,
- int wtyp,
- int mat_type,
- int *ids_list,
- float *val_list)
-
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) set_index = the material set index (zero based)
-
- (IN) part_id = the part number desired
-
- (IN) wtyp = the element type (used for Z_MAT_INDEX only)
-
- Z_POINT node point element
- Z_BAR02 2 node bar
- Z_BAR03 3 node bar
- Z_TRI03 3 node triangle
- Z_TRI06 6 node triangle
- Z_QUA04 4 node quad
- Z_QUA08 8 node quad
- Z_TET04 4 node tetrahedron
- Z_TET10 10 node tetrahedron
- Z_PYR05 5 node pyramid
- Z_PYR13 13 node pyramid
- Z_PEN06 6 node pentahedron
- Z_PEN15 15 node pentahedron
- Z_HEX08 8 node hexahedron
- Z_HEX20 20 node hexahedron
- Z_NSIDED nsided polygon
- Z_NFACED nfaced polyhedron
-
- Z_G_POINT ghost node point element
- Z_G_BAR02 2 node ghost bar
- Z_G_BAR03 3 node ghost bar
- Z_G_TRI03 3 node ghost triangle
- Z_G_TRI06 6 node ghost triangle
- Z_G_QUA04 4 node ghost quad
- Z_G_QUA08 8 node ghost quad
- Z_G_TET04 4 node ghost tetrahedron
- Z_G_TET10 10 node ghost tetrahedron
- Z_G_PYR05 5 node ghost pyramid
- Z_G_PYR13 13 node ghost pyramid
- Z_G_PEN06 6 node ghost pentahedron
- Z_G_PEN15 15 node ghost pentahedron
- Z_G_HEX08 8 node ghost hexahedron
- Z_G_HEX20 20 node ghost hexahedron
- Z_G_NSIDED ghost nsided polygon
- Z_G_NFACED ghost nfaced polyhedron
-
- (IN) mat_type = Z_MAT_INDEX for material ids list
- Z_MIX_INDEX for mixed-material ids list
- Z_MIX_VALUE for mixed-material values list
-
- (OUT) ids_list = If mat_type is Z_MAT_INDEX:
- ---------------------------
- 1D material id list
- (Int array will have been allocated
- the appropriate size, as returned in
- USERD_size_matf_data for mat_type Z_MAT_INDEX)
-
- If mat_type is Z_MIX_INDEX:
- ---------------------------
- 1D mixed-material id list
- (Int array will have been allocated
- the appropriate size, as returned in
- USERD_size_matf_data for mat_type Z_MIX_INDEX)
-
- (OUT) val_list = 1D mixed-materials values list
- (only used if mat_type is Z_MIX_VALUE)
-
- (Float array will have been allocated
- the appropriate size, as returned in
- USERD_size_matf_data for mat_type Z_MIX_VALUE)
-
- Notes:
- -----
- * See USERD_get_number_of_material_sets header for explanatory example
- * Will not be called if Num_material_sets is zero,
- or Num_materials[set_index] is zero,
- or the appropriate size from USERD_size_matf_data is zero
-
-
-
---------------------------------------------------------------------
-USERD_set_filenames
-
- Description:
- -----------
- Receives the geometry and result filenames entered in the data
- dialog. The user written code will have to store and use these
- as needed. The user written code must manage its own files!!
-
- Specification:
- -------------
- int USERD_set_filenames(char filename_1[],
- char filename_2[],
- char the_path[],
- int swapbytes)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) filename_1 = the filename entered into the geometry
- field of the data dialog.
-
- (IN) filename_2 = the filename entered into the result
- field of the data dialog.
- (If the two_fields flag in USERD_get_name_of_reader
- is FALSE, this will be null string)
-
- (IN) the_path = the path info from the data dialog.
- Note: filename_1 and filename_2 have already
- had the path prepended to them. This
- is provided in case it is needed for
- filenames contained in one of the files
-
- (IN) swapbytes = TRUE if should swap bytes when reading data.
- = FALSE normally.
-
- Notes:
- -----
- * Since you must manage everything from the input that is entered in
- these data dialog fields, this is an important routine!
-
- * It may be that you will need to have an executive type file that contains
- info and other filenames within it, like EnSight6's case file.
-
-
---------------------------------------------------------------------
-USERD_set_server_number
-
- Description:
- -----------
- Receives the server number of how many total servers.
-
- Specification:
- -------------
- int USERD_set_server_number(int cur_serv,
- int tot_servs)
-
- Returns:
- -------
- nothing
-
- Arguments:
- ---------
- (IN) cur_serv = the current server.
-
- (IN) tot_servs = the total number of servers.
-
- Notes:
- -----
- * Only useful if your user defined reader is being used with EnSight's
- Server-of-Server capability. And even then, it may or may not be
- something that you can take advantage of. If your data is already
- partitioned in some manner, such that you can access the proper
- portions using this information.
-
- For all non-SOS uses, this will simply be 1 of 1
-
-
-
---------------------------------------------------------------------
-USERD_set_time_set_and_step
-
- Description:
- -----------
- Set the current time step in the desired timeset. All functions that
- need time, and that do not explicitly pass it in, will use the timeset
- and step set by this routine, if needed.
-
- Specification:
- -------------
- void USERD_set_time_set_and_step(int timeset_number,
- int time_step)
-
- Returns:
- -------
- nothing
-
- Arguments:
- ---------
- (IN) timeset_number = the timeset number (1 based).
-
- For example: If USERD_get_number_of_timesets
- returns 2, the valid timeset_number's
- would be 1 and 2.
-
- (IN) time_step = The current time step to set
-
- Notes:
- -----
- * Current_time_step and Current_timeset would be set here
-
-
---------------------------------------------------------------------
-USERD_size_matf_data
-
- Description:
- -----------
- Get the length of the material id list, mixed-material id list, or
- mixed-material values list for the given material set and part (and
- element type if material id list)
-
- Specification:
- -------------
- int USERD_size_matf_data( int set_index,
- int part_id,
- int wtyp,
- int mat_type,
- int *matf_size)
-
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) set_index = the material set index (zero based)
-
- (IN) part_id = the part number desired
-
- (IN) wtyp = the element type (used for Z_MAT_INDEX only)
-
- Z_POINT node point element
- Z_BAR02 2 node bar
- Z_BAR03 3 node bar
- Z_TRI03 3 node triangle
- Z_TRI06 6 node triangle
- Z_QUA04 4 node quad
- Z_QUA08 8 node quad
- Z_TET04 4 node tetrahedron
- Z_TET10 10 node tetrahedron
- Z_PYR05 5 node pyramid
- Z_PYR13 13 node pyramid
- Z_PEN06 6 node pentahedron
- Z_PEN15 15 node pentahedron
- Z_HEX08 8 node hexahedron
- Z_HEX20 20 node hexahedron
- Z_NSIDED nsided polygon
- Z_NFACED nfaced polyhedron
-
- Z_G_POINT ghost node point element
- Z_G_BAR02 2 node ghost bar
- Z_G_BAR03 3 node ghost bar
- Z_G_TRI03 3 node ghost triangle
- Z_G_TRI06 6 node ghost triangle
- Z_G_QUA04 4 node ghost quad
- Z_G_QUA08 8 node ghost quad
- Z_G_TET04 4 node ghost tetrahedron
- Z_G_TET10 10 node ghost tetrahedron
- Z_G_PYR05 5 node ghost pyramid
- Z_G_PYR13 13 node ghost pyramid
- Z_G_PEN06 6 node ghost pentahedron
- Z_G_PEN15 15 node ghost pentahedron
- Z_G_HEX08 8 node ghost hexahedron
- Z_G_HEX20 20 node ghost hexahedron
- Z_G_NSIDED ghost nsided polygon
- Z_G_NFACED ghost nfaced polyhedron
-
- (IN) mat_type = Z_MAT_INDEX for material ids list
- Z_MIX_INDEX for mixed-material ids list
- Z_MIX_VALUE for mixed-material values list
-
- (OUT) matf_size = the length of the material id list, or
- mixed-material id list, or
- mixed-material values list
- for the given material set and part number
- (and element type if Z_MAT_INDEX)
-
- Notes:
- -----
- * See USERD_get_number_of_material_sets header for explanatory example
- * Will not be called if Num_material_sets is zero, or
- Num_materials[set_index] is zero
-
-
-
-
---------------------------------------------------------------------
-USERD_stop_part_building
-
- Description:
- -----------
- This routine called when the part building dialog is closed. It is
- provided in case you desire to release memory, etc. that was only needed
- during the part building process.
-
- Specification:
- -------------
- void USERD_stop_part_building( void )
-
- Returns:
- -------
- nothing
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
-
-
----- end of doucment ----
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/README_USERD_2.03_CHANGES b/applications/utilities/postProcessing/graphics/ensightFoamReader/README_USERD_2.03_CHANGES
deleted file mode 100644
index 90941e0..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/README_USERD_2.03_CHANGES
+++ /dev/null
@@ -1,1374 +0,0 @@
-README_USERD_2.03
-=================
-
-At this API revision level:
-
-1. Routines to handle materials have been added.
-2. Routines to handle nsided and nfaced elements have been added
-3. A routine has modified so structured ranges can be specified
-
-****************************************************************************
-Note: The dummy_gold reader, the Ensight Gold example reader, and the
- SILO reader have been moved to this 2.03 API level.
-****************************************************************************
-
--------------------------------
-Quick Index of Library Routines
--------------------------------
-
-The new new routines are:
--------------------------
-USERD_get_number_of_material_sets Gets the number of material sets
-USERD_get_matf_set_info Gets the material set indices and names
-USERD_get_number_of_materials Gets the number of materials
-USERD_get_matf_var_info Gets the material indices and descriptions
-USERD_size_matf_data Gets the length of either the
- material ids list,
- mixed-material ids list, or
- mixed-material values list
-USERD_load_matf_data Gets the material ids list,
- mixed-material ids list, or
- mixed-material values list
-
-USERD_get_nsided_conn Gets the element connectivities for nsided
- elements. (utilizes the number of nodes
- per element obtained in
- USERD_get_part_elements_by_type)
-USERD_get_nfaced_nodes_per_face Gets the number of nodes per face for nfaced
- elements (utilizes the number of faces
- per element obtained in
- USERD_get_part_elements_by_type)
-USERD_get_nfaced_conn Gets the element connectivities for nfaced
- elements (utilizes the number of nodes
- per face obtained in
- USERD_get_nfaced_nodes_per_face)
-The modified routine is:
-------------------------
-USERD_get_gold_part_build_info Gets the info needed for part building
- process
-
---------------------
-Header files changes
---------------------
-global_extern.h has appropriate changes, must use it
-global_extern_protr.h new file, access from global_extern.h
-
-Basically the the old global_extern.h file has been split into two files now.
-
-
-
--------------------------
-Order Routines are called
--------------------------
-
-The various main operations are given basically in the order they will
-be performed. Within each operation, the order the routines will be
-called is given.
-
-10. To see if materials in the model
-
- USERD_get_number_of_material_sets
-
- If any material sets in the model (calls these once per material set):
- USERD_get_matf_set_info
- USERD_get_number_of_materials
- USERD_get_matf_var_info
-
- For each elment type of each part containing material ids, calls:
- USERD_size_matf_data
- USERD_load_matf_data
-
- If there are any elements with mixed materials, when a domain or
- interface is created, calls these again per part:
-
- USERD_size_matf_data
- USERD_load_matf_data
-
-6. Part building (per part created)
-
- both unstructured and structured:
- --------------------------------
- USERD_set_time_set_and_step
-
- if unstructured part:
- --------------------
- USERD_get_part_element_ids_by_type
- USERD_get_part_elements_by_type
-
- If any nsided elements:
-
- USERD_get_nsided_conn
-
- If any nfaced elements:
-
- USERD_get_nfaced_nodes_per_face
- USERD_get_nfaced_conn
-
- USERD_get_part_coords
- USERD_get_part_node_ids
-
- .
- .
- .
-
-
------------------------
-Detailed Specifications
------------------------
-
-Include files:
---------------
-The following header file is required in any file containing these library
-routines.
-
- #include "global_extern.h"
-
-
-
-*******************************************************************************
-****************************** Special Note ***********************************
-*******************************************************************************
-
-Make sure you use the proper define in the global_extern.h header file, namely:
-#define USERD_API_203
-
-Also, Make sure the api version in the USERD_get_reader_version routine is set
-to "2.03" or larger.
-
-Make sure your reader has access to the global_extern_proto.h This is a new
-file which is access from the new global_extern.h
-
-*******************************************************************************
-*******************************************************************************
-
-____________________
---------------------
-New Library Routines
-____________________
---------------------
-
---------------------------------------------------------------------
-USERD_get_number_of_material_sets -
-
- Description:
- -----------
- Get the number of material sets in the model
-
- Specification:
- -------------
- int USERD_get_number_of_material_sets( void )
-
-
- Returns:
- -------
- Num_material_sets = number of material sets
- (Zero would indicate that you have no materials
- to deal with in the model)
-
- or
-
- -1 if an error condition
-
- Arguments:
- ---------
- none
-
- Notes:
- -----
- * You may want to keep this as a global for use in other routines.
-
- ###############################################################
- NOTE: For EnSight 7.6, only one material set is supported
- within EnSight.
- Thus the only valid returns here are:
- 0 (no materials)
- 1 (for the one material set allowed)
- or -1 (if an error)
-
- If the casefile has more than this, this reader will
- read them, but EnSight will issue an error message and
- choke on them!
- ###############################################################
-
- ================================================================
- A very simple explanatory example, to use as a reference for the
- materials routines:
-
- Given a 2D mesh composed of 9 quad (Z_QUA04) elements, with two materials.
- Most of the model is material 1, but the top left corner is material 9 -
- basically as shown:
-
-
- *--------*--------*--------*
- | | / | |
- | Mat 9 / | |
- | | / | |
- | |/ | |
- | e7 / e8 | e9 |
- | /| | |
- | / | | |
- | / | | |
- *----/---*--------*--------*
- | / | | |
- | / | | |
- | / | Mat 1 |
- |/ | | |
- | e4 | e5 | e6 |
- | | | |
- | | | |
- | | | |
- *--------*--------*--------*
- | | | |
- | | | |
- | | | |
- | | | |
- | e1 | e2 | e3 |
- | | | |
- | | | |
- | | | |
- *--------*--------*--------*
-
-
- Thus, in this routine, set:
- Num_material_sets = 1
-
- In USERD_get_matf_set_info, set:
- mat_set_ids[0] = 1
- mat_set_name[0] = "Material Set 1" (or whatever name desired)
-
- In USERD_get_number_of_materials, input would be set_index = 0, and
- would need to set:
- Num_materials[0] = 2
-
- For simplicity, the ids and descriptions that would be returned in
- USERD_get_matf_var_info could be:
- mat_ids[0] = 1
- mat_ids[1] = 9
- mat_desc[0] = "mat 1" (or whatever desired)
- mat_desc[2] = "mat 9"
-
- The per element material ids list would need to be:
-
- material ids:
- -------------
- ids_list[0] = 1 (material id 1, for elem e1)
- ids_list[1] = 1 ( " e2)
- ids_list[2] = 1 ( " e3)
- ids_list[3] = -1 (negative of index into mixed-material id list, for elem e4)
- ids_list[5] = 1 (material id 1, for elem e5)
- ids_list[5] = 1 ( " e6)
- ids_list[5] = -5 (negative of index into mixed-material id list, for elem e7)
- ids_list[5] = -9 ( " e8)
- ids_list[5] = 1 (material id 1, for elem e9)
-
- Finally we need the mixed material ids list and the mixed materials values list,
- which would need to be:
-
- mixed-material ids:
- -------------------
- ==> 1 ids_list[0] = 2 (the -1 in the material variable points here,
- 2 indicates that two materials are present)
- 2 ids_list[1] = 1 (1st material is 1)
- 3 ids_list[2] = 9 (2nd material is 9)
- 4 ids_list[3] = -1 (negative of index into mixed-material val_list)
- ==> 5 ids_list[4] = 2 (the -5 in the material variable points here,
- 2 indicates that two materials are present)
- 6 ids_list[5] = 1 (1st material is 1)
- 7 ids_list[6] = 9 (2nd material is 9)
- 8 ids_list[7] = -3 (negative of index into mixed-material val_list)
- ==> 9 ids_list[8] = 2 etc.
- 10 ids_list[9] = 1
- 11 ids_list[10] = 9
- 12 ids_list[11] = -5
-
- mixed-material values:
- ----------------------
- ==> 1 val_list[0] = 0.875 (the -1 in the mixed-material ids_list points here,
- and this is the value for material 1)
- 2 val_list[1] = 0.125 (the value for material 9)
- ==> 3 val_list[2] = 0.125 (the -3 in the mixed-materials ids_list points here)
- 4 val_list[3] = 0.875
- ==> 5 val_list[4] = 0.875 (the -5 in the mixed-materials ids_list points here)
- 6 val_list[5] = 0.125
-
- So, USERD_size_matf_data would need to return
- matf_size = 8, when called with set_id = 1
- part_id = 1
- wtyp = Z_QUA04
- mat_type = Z_MAT_INDEX
-
- matf_size = 12, when called with set_id = 1
- part_id = 1
- mat_type = Z_MIX_INDEX
-
- = 6, when called with set_id = 1
- part_id = 1
- mat_type = Z_MIX_VALUE
-
- And, USERD_load_matf_data would need to return:
- the int array ids_list as shown above when called with:
- set_id = 1
- part_id = 1
- wtyp = Z_QUA04
- mat_type = Z_MAT_INDEX (indicating id list).
-
- the int array ids_list as shown above when called with:
- set_id = 1
- part_id = 1
- mat_type = Z_MIX_INDEX (indicating id list).
-
- the float array val_list as shown above when called with:
- set_id = 1
- part_id = 1
- mat_type = Z_MIX_VALUE (indicating val list).
-
-
-
--------------------------------------------------------------------------
-USERD_get_matf_set_info
-
- Description:
- -----------
- Get the material set ids and names
-
- Specification:
- -------------
- int USERD_get_matf_set_info(int *mat_set_ids,
- char **mat_set_name)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) mat_set_ids = 1D material set ids array
-
- (Array will have been allocated
- Num_material_sets long)
-
- (OUT) mat_set_name = 2D material set name array
-
- (Array will have been allocated
- Num_material_sets by Z_BUFL long)
-
- Notes:
- -----
- * Will not be called if Num_material_sets is zero
- * See USERD_get_number_of_material_sets header for explanatory example
-
-
--------------------------------------------------------------------------
-USERD_get_number_of_materials
-
- Description:
- -----------
- Gets the number of materials in the material set
-
- Specification:
- -------------
- int USERD_get_number_of_materials( int set_index )
-
- Returns:
- -------
- Num_materials[set_index] = Number of materials in the set
- 0 indicates no materials information present
- -1 indicates an error
- Arguments:
- ---------
- (IN) set_index = the material set index (zero based)
-
- Notes:
- -----
- * See USERD_get_number_of_material_sets header for explanatory example
- * Will not be called if Num_material_sets is zero
- * You may want to keep this as a global for use in other routines.
-
-
---------------------------------------------------------------------
-USERD_get_matf_var_info
-
- Description:
- -----------
- Gets the material ids and descriptions for the material set
-
- Specification:
- -------------
- int USERD_get_matf_var_info(int set_index,
- int *mat_ids,
- char **mat_desc)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) set_index = the material set index (zero based)
-
- (OUT) mat_ids[set_index] = 1D integer array containing the material
- ids to associated with each material
-
- (Array will have been allocated
- Num_materials[set_index] long)
-
- (OUT) mat_desc[set_index] = 2D char array containing the material
- descriptions to associated with each material
-
- (Array will have been allocated
- Num_materials[set_index] by Z_BUFL long)
-
- Notes:
- -----
- * See USERD_get_number_of_material_sets header for explanatory example
- * Will not be called if Num_material_sets is zero, or
- Num_materials[set_index] is zero
-
-
---------------------------------------------------------------------
-USERD_size_matf_data
-
- Description:
- -----------
- Get the length of the material id list, mixed-material id list, or
- mixed-material values list for the given material set and part (and
- element type if material id list)
-
- Specification:
- -------------
- int USERD_size_matf_data( int set_index,
- int part_id,
- int wtyp,
- int mat_type,
- int *matf_size)
-
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) set_index = the material set index (zero based)
-
- (IN) part_id = the part number desired
-
- (IN) wtyp = the element type (used for Z_MAT_INDEX only)
-
- Z_POINT node point element
- Z_BAR02 2 node bar
- Z_BAR03 3 node bar
- Z_TRI03 3 node triangle
- Z_TRI06 6 node triangle
- Z_QUA04 4 node quad
- Z_QUA08 8 node quad
- Z_TET04 4 node tetrahedron
- Z_TET10 10 node tetrahedron
- Z_PYR05 5 node pyramid
- Z_PYR13 13 node pyramid
- Z_PEN06 6 node pentahedron
- Z_PEN15 15 node pentahedron
- Z_HEX08 8 node hexahedron
- Z_HEX20 20 node hexahedron
- Z_NSIDED nsided polygon
- Z_NFACED nfaced polyhedron
-
- Z_G_POINT ghost node point element
- Z_G_BAR02 2 node ghost bar
- Z_G_BAR03 3 node ghost bar
- Z_G_TRI03 3 node ghost triangle
- Z_G_TRI06 6 node ghost triangle
- Z_G_QUA04 4 node ghost quad
- Z_G_QUA08 8 node ghost quad
- Z_G_TET04 4 node ghost tetrahedron
- Z_G_TET10 10 node ghost tetrahedron
- Z_G_PYR05 5 node ghost pyramid
- Z_G_PYR13 13 node ghost pyramid
- Z_G_PEN06 6 node ghost pentahedron
- Z_G_PEN15 15 node ghost pentahedron
- Z_G_HEX08 8 node ghost hexahedron
- Z_G_HEX20 20 node ghost hexahedron
- Z_G_NSIDED ghost nsided polygon
- Z_G_NFACED ghost nfaced polyhedron
-
- (IN) mat_type = Z_MAT_INDEX for material ids list
- Z_MIX_INDEX for mixed-material ids list
- Z_MIX_VALUE for mixed-material values list
-
- (OUT) matf_size = the length of the material id list, or
- mixed-material id list, or
- mixed-material values list
- for the given material set and part number
- (and element type if Z_MAT_INDEX)
-
- Notes:
- -----
- * See USERD_get_number_of_material_sets header for explanatory example
- * Will not be called if Num_material_sets is zero, or
- Num_materials[set_index] is zero
-
-
-----------------------------------------------------------------------
-USERD_load_matf_data
-
- Description:
- -----------
- Get the material id list, mixed-material id list, or
- mixed-material values list for the given material set and part (and
- element type if material id list)
-
- Specification:
- -------------
- int USERD_load_matf_data( int set_index,
- int part_id,
- int wtyp,
- int mat_type,
- int *ids_list,
- float *val_list)
-
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) set_index = the material set index (zero based)
-
- (IN) part_id = the part number desired
-
- (IN) wtyp = the element type (used for Z_MAT_INDEX only)
-
- Z_POINT node point element
- Z_BAR02 2 node bar
- Z_BAR03 3 node bar
- Z_TRI03 3 node triangle
- Z_TRI06 6 node triangle
- Z_QUA04 4 node quad
- Z_QUA08 8 node quad
- Z_TET04 4 node tetrahedron
- Z_TET10 10 node tetrahedron
- Z_PYR05 5 node pyramid
- Z_PYR13 13 node pyramid
- Z_PEN06 6 node pentahedron
- Z_PEN15 15 node pentahedron
- Z_HEX08 8 node hexahedron
- Z_HEX20 20 node hexahedron
- Z_NSIDED nsided polygon
- Z_NFACED nfaced polyhedron
-
- Z_G_POINT ghost node point element
- Z_G_BAR02 2 node ghost bar
- Z_G_BAR03 3 node ghost bar
- Z_G_TRI03 3 node ghost triangle
- Z_G_TRI06 6 node ghost triangle
- Z_G_QUA04 4 node ghost quad
- Z_G_QUA08 8 node ghost quad
- Z_G_TET04 4 node ghost tetrahedron
- Z_G_TET10 10 node ghost tetrahedron
- Z_G_PYR05 5 node ghost pyramid
- Z_G_PYR13 13 node ghost pyramid
- Z_G_PEN06 6 node ghost pentahedron
- Z_G_PEN15 15 node ghost pentahedron
- Z_G_HEX08 8 node ghost hexahedron
- Z_G_HEX20 20 node ghost hexahedron
- Z_G_NSIDED ghost nsided polygon
- Z_G_NFACED ghost nfaced polyhedron
-
- (IN) mat_type = Z_MAT_INDEX for material ids list
- Z_MIX_INDEX for mixed-material ids list
- Z_MIX_VALUE for mixed-material values list
-
- (OUT) ids_list = If mat_type is Z_MAT_INDEX:
- ---------------------------
- 1D material id list
- (Int array will have been allocated
- the appropriate size, as returned in
- USERD_size_matf_data for mat_type Z_MAT_INDEX)
-
- If mat_type is Z_MIX_INDEX:
- ---------------------------
- 1D mixed-material id list
- (Int array will have been allocated
- the appropriate size, as returned in
- USERD_size_matf_data for mat_type Z_MIX_INDEX)
-
- (OUT) val_list = 1D mixed-materials values list
- (only used if mat_type is Z_MIX_VALUE)
-
- (Float array will have been allocated
- the appropriate size, as returned in
- USERD_size_matf_data for mat_type Z_MIX_VALUE)
-
- Notes:
- -----
- * See USERD_get_number_of_material_sets header for explanatory example
- * Will not be called if Num_material_sets is zero,
- or Num_materials[set_index] is zero,
- or the appropriate size from USERD_size_matf_data is zero
-
-
-
---------------------------------------------------------------------
-USERD_get_nsided_conn -
-
- Description:
- -----------
- Gets the array containing the connectivity of nsided elements
-
- Specification:
- -------------
- int USERD_get_nsided_conn(int part_number,
- int *nsided_conn_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) part_number = the part number
-
- (OUT) nsided_conn_array = 1D array of nsided connectivies
-
- (int array will have been allocated long enough
- to hold all the nsided connectivities. Which is
- the sum of all the nodes_per_element values in
- the conn_array of USERD_get_part_elements_by_type)
-
-
- Notes:
- -----
- * Will not be called unless there are some nsided elements in the the part.
-
- * Providing nsided information to Ensight:
-
- 1. In USERD_get_gold_part_build_info, provide the number of nsided
- elements in the part.
-
- 2. In USERD_get_part_elements_by_type, provide (in the conn_array),
- the number of nodes per nsided element. (as if connectivity
- length of an nsided element is one)
-
- 3. In this routine, provide the streamed connectivities for each of the
- nsided elements.
-
-
- Simple example: 5 6
- +--------+
- 3 nsided elements: /| \
- (1 4-sided / | \
- 1 3-sided / | \
- 1 7-sided) / | \ 7
- /3 |4 +
- +-----+ |
- | | |
- | | |8
- | | +
- | | /
- | | /
- | | /
- |1 |2 /9
- +-----+--------+
-
- 1. In USERD_get_gold_part_build_info:
- number_of_elements[Z_NSIDED] = 3
- .
- /|\
- |
- 2. In USERD_get_part_elements_by_type:
- length of conn_array will be: 3 x 1
-
- for element_type of Z_NSIDED:
- conn_array[0][0] = 4 (for the 4-sided element)
- conn_array[1][0] = 3 (for the 3-sided element)
- conn_array[2][0] = 7 (for the 7-sided element)
-
- Sum ===
- 14 <---------+
- |
- 3. In this routine: |
- length of nsided_conn_array will be: 14
-
- nsided_conn_array[0] = 1 (connectivity of 4-sided element)
- nsided_conn_array[1] = 2
- nsided_conn_array[2] = 4
- nsided_conn_array[3] = 3
-
- nsided_conn_array[4] = 3 (connectivity of 3-sided element)
- nsided_conn_array[5] = 4
- nsided_conn_array[6] = 5
-
- nsided_conn_array[7] = 2 (connectivity of 7-sided element)
- nsided_conn_array[8] = 9
- nsided_conn_array[9] = 8
- nsided_conn_array[10] = 7
- nsided_conn_array[11] = 6
- nsided_conn_array[12] = 5
- nsided_conn_array[13] = 4
-
-
-
---------------------------------------------------------------------
-USERD_get_nfaced_nodes_per_face -
-
- Description:
- -----------
- Gets the array containing the number of nodes per face for each face
- of the nfaced elements.
-
- Specification:
- -------------
- int USERD_get_nfaced_nodes_per_face(int part_number,
- int *nfaced_npf_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) part_number = the part number
-
- (OUT) nfaced_npf_array = 1D array of nodes per face for all faces of
- nfaced elements
-
- (int array will have been allocated long enough
- to hold all the nodes_per_face values. Which is
- the sum of all the number of faces per element
- values in the conn_array of
- USERD_get_part_elements_by_type)
-
- Notes:
- -----
- * Will not be called unless there are some nfaced elements in the
- the part
-
- * Providing nfaced information to Ensight:
-
- 1. In USERD_get_gold_part_build_info, provide the number of nfaced
- polyhedral elements in the part.
-
- 2. In USERD_get_part_elements_by_type, provide (in the conn_array),
- the number of faces per nfaced element. (as if connectivity
- length of an nfaced element is one)
-
- 3. In this routine, provide the streamed number of nodes per face
- for each of the faces of the nfaced elements.
-
-
- Simple example: 11 10 12
- +--------+-----+
- 2 nfaced elements: /| |\ /|
- (1 7-faced / | | \ / |
- 1 5-sided) / | | +9 |
- / | | /| |
- /7 | 8 / | |
- +-----------+/ | | |
- | |5 | |4 | |6
- | +-----|--+--|--+
- | / | \ | /
- | / | \|/3
- | / | +
- | / | /
- |/1 |2 /
- +-----------+/
-
- 1. In USERD_get_gold_part_build_info:
- number_of_elements[Z_NFACED] = 2
- .
- /|\
- |
- 2. In USERD_get_part_elements_by_type:
- length of conn_array will be: 2 x 1
- for element_type of Z_NFACED:
- conn_array[0][0] = 7 (for the 7-faced element)
- conn_array[1][0] = 5 (for the 5-faced element)
-
- ==
- Sum 12 <---------+
- |
- 3. In this routine: |
- length of nfaced_npf_array will be: 12
-
- nfaced_npf_array[0] = 5 (5-noded top face of 7-faced element)
- nfaced_npf_array[1] = 5 (5-noded bot face of 7-faced element)
- nfaced_npf_array[2] = 4 (4-noded front face of 7-faced element)
- nfaced_npf_array[3] = 4 (4-noded left face of 7-faced element)
- nfaced_npf_array[4] = 4 (4-noded back face of 7-faced element)
- nfaced_npf_array[5] = 4 (4-noded right front face of 7-faced element)
- nfaced_npf_array[6] = 4 (4-noded right back face of 7-faced element)
-
- nfaced_npf_array[7] = 3 (3-noded top face of 5-faced element)
- nfaced_npf_array[8] = 3 (3-noded bot face of 5-faced element)
- nfaced_npf_array[9] = 4 (4-noded back face of 5-faced element)
- nfaced_npf_array[10] = 4 (4-noded right face of 5-faced element)
- nfaced_npf_array[11] = 4 (4-noded left front face of 5-faced element)
-
- ==
- Sum 48 <-------------+
- |
- 4. In USERD_get_nfaced_conn: |
- length of the nfaced_conn_array will be: 48
-
- nsided_conn_array[0] = 7 (conn of 5-noded top face of 7-faced elem)
- nsided_conn_array[1] = 8
- nsided_conn_array[2] = 9
- nsided_conn_array[3] = 10
- nsided_conn_array[4] = 11
-
- nsided_conn_array[5] = 1 (conn of 5-noded bot face of 7-faced elem)
- nsided_conn_array[6] = 5
- nsided_conn_array[7] = 4
- nsided_conn_array[8] = 3
- nsided_conn_array[9] = 2
-
- nsided_conn_array[10] = 1 (conn of 4-noded front face of 7-faced elem)
- nsided_conn_array[11] = 2
- nsided_conn_array[12] = 8
- nsided_conn_array[13] = 7
-
- nsided_conn_array[14] = 5 (conn of 4-noded left face of 7-faced elem)
- nsided_conn_array[15] = 1
- nsided_conn_array[16] = 7
- nsided_conn_array[17] = 11
-
- nsided_conn_array[18] = 4 (conn of 4-noded back face of 7-faced elem)
- nsided_conn_array[19] = 5
- nsided_conn_array[20] = 11
- nsided_conn_array[21] = 10
-
- nsided_conn_array[22] = 2 (conn of 4-noded right front face of 7-faced)
- nsided_conn_array[23] = 3
- nsided_conn_array[24] = 9
- nsided_conn_array[25] = 8
-
- nsided_conn_array[26] = 3 (conn of 4-noded right back face of 7-faced)
- nsided_conn_array[27] = 4
- nsided_conn_array[28] = 10
- nsided_conn_array[29] = 9
-
- nsided_conn_array[30] = 9 (conn of 3-noded top face of 5-faced elem)
- nsided_conn_array[32] = 12
- nsided_conn_array[32] = 10
-
- nsided_conn_array[33] = 3 (conn of 3-noded bot face of 5-faced elem)
- nsided_conn_array[34] = 4
- nsided_conn_array[35] = 6
-
- nsided_conn_array[36] = 6 (conn of 4-noded back face of 5-faced elem)
- nsided_conn_array[37] = 4
- nsided_conn_array[38] = 10
- nsided_conn_array[39] = 12
-
- nsided_conn_array[40] = 3 (conn of 4-noded right face of 5-faced elem)
- nsided_conn_array[41] = 6
- nsided_conn_array[42] = 12
- nsided_conn_array[43] = 9
-
- nsided_conn_array[44] = 4 (conn of 4-noded left front face of 5-faced)
- nsided_conn_array[45] = 3
- nsided_conn_array[46] = 9
- nsided_conn_array[47] = 10
-
-
-
---------------------------------------------------------------------
-USERD_get_nfaced_conn
-
- Description:
- -----------
- Gets the array containing the connectivity of nsided faces of nfaced elements
-
- Specification:
- -------------int
- int USERD_get_nfaced_conn(int part_number,
- int *nfaced_conn_array)
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (IN) part_number = the part number
-
- (OUT) nfaced_conn_array = 1D array of nsided face connectivies of nfaced
- elements
-
- (int array will have been allocated long enough to
- hold all the nsided face connectivities. Which is
- the sum of all the nodes per face values in the
- nfaced_npf_array of USERD_get_nfaced_nodes_per_face)
-
- Notes:
- -----
- * Will not be called unless there are some nfaced elements in the part
-
- * Providing nfaced information to Ensight:
-
- 1. In USERD_get_gold_part_build_info, provide the number of nfaced
- polyhedral elements in the part.
-
- 2. In USERD_get_part_elements_by_type, provide (in the conn_array),
- the number of faces per nfaced element. (as if connectivity
- length of an nfaced element is one)
-
- 3. In this routine, provide the streamed number of nodes per face
- for each of the faces of the nfaced elements.
-
-
- Simple example: 11 10 12
- +--------+-----+
- 2 nfaced elements: /| |\ /|
- (1 7-faced / | | \ / |
- 1 5-sided) / | | +9 |
- / | | /| |
- /7 | 8 / | |
- +-----------+/ | | |
- | |5 | |4 | |6
- | +-----|--+--|--+
- | / | \ | /
- | / | \|/3
- | / | +
- | / | /
- |/1 |2 /
- +-----------+/
-
- 1. In USERD_get_gold_part_build_info:
- number_of_elements[Z_NFACED] = 2
- .
- /|\
- |
- 2. In USERD_get_part_elements_by_type:
- length of conn_array will be: 2 x 1
- for element_type of Z_NFACED:
- conn_array[0][0] = 7 (for the 7-faced element)
- conn_array[1][0] = 5 (for the 5-faced element)
-
- ==
- Sum 12 <---------+
- |
- 3. In USERD_get_faced_nodes_per_face: |
- length of nfaced_npf_array will be: 12
-
- nfaced_npf_array[0] = 5 (5-noded top face of 7-faced element)
- nfaced_npf_array[1] = 5 (5-noded bot face of 7-faced element)
- nfaced_npf_array[2] = 4 (4-noded front face of 7-faced element)
- nfaced_npf_array[3] = 4 (4-noded left face of 7-faced element)
- nfaced_npf_array[4] = 4 (4-noded back face of 7-faced element)
- nfaced_npf_array[5] = 4 (4-noded right front face of 7-faced element)
- nfaced_npf_array[6] = 4 (4-noded right back face of 7-faced element)
-
- nfaced_npf_array[7] = 3 (3-noded top face of 5-faced element)
- nfaced_npf_array[8] = 3 (3-noded bot face of 5-faced element)
- nfaced_npf_array[9] = 4 (4-noded back face of 5-faced element)
- nfaced_npf_array[10] = 4 (4-noded right face of 5-faced element)
- nfaced_npf_array[11] = 4 (4-noded left front face of 5-faced element)
-
- ==
- Sum 48 <-------------+
- |
- 4. In this function: |
- length of the nfaced_conn_array will be: 48
-
- nsided_conn_array[0] = 7 (conn of 5-noded top face of 7-faced elem)
- nsided_conn_array[1] = 8
- nsided_conn_array[2] = 9
- nsided_conn_array[3] = 10
- nsided_conn_array[4] = 11
-
- nsided_conn_array[5] = 1 (conn of 5-noded bot face of 7-faced elem)
- nsided_conn_array[6] = 5
- nsided_conn_array[7] = 4
- nsided_conn_array[8] = 3
- nsided_conn_array[9] = 2
-
- nsided_conn_array[10] = 1 (conn of 4-noded front face of 7-faced elem)
- nsided_conn_array[11] = 2
- nsided_conn_array[12] = 8
- nsided_conn_array[13] = 7
-
- nsided_conn_array[14] = 5 (conn of 4-noded left face of 7-faced elem)
- nsided_conn_array[15] = 1
- nsided_conn_array[16] = 7
- nsided_conn_array[17] = 11
-
- nsided_conn_array[18] = 4 (conn of 4-noded back face of 7-faced elem)
- nsided_conn_array[19] = 5
- nsided_conn_array[20] = 11
- nsided_conn_array[21] = 10
-
- nsided_conn_array[22] = 2 (conn of 4-noded right front face of 7-faced)
- nsided_conn_array[23] = 3
- nsided_conn_array[24] = 9
- nsided_conn_array[25] = 8
-
- nsided_conn_array[26] = 3 (conn of 4-noded right back face of 7-faced)
- nsided_conn_array[27] = 4
- nsided_conn_array[28] = 10
- nsided_conn_array[29] = 9
-
- nsided_conn_array[30] = 9 (conn of 3-noded top face of 5-faced elem)
- nsided_conn_array[32] = 12
- nsided_conn_array[32] = 10
-
- nsided_conn_array[33] = 3 (conn of 3-noded bot face of 5-faced elem)
- nsided_conn_array[34] = 4
- nsided_conn_array[35] = 6
-
- nsided_conn_array[36] = 6 (conn of 4-noded back face of 5-faced elem)
- nsided_conn_array[37] = 4
- nsided_conn_array[38] = 10
- nsided_conn_array[39] = 12
-
- nsided_conn_array[40] = 3 (conn of 4-noded right face of 5-faced elem)
- nsided_conn_array[41] = 6
- nsided_conn_array[42] = 12
- nsided_conn_array[43] = 9
-
- nsided_conn_array[44] = 4 (conn of 4-noded left front face of 5-faced)
- nsided_conn_array[45] = 3
- nsided_conn_array[46] = 9
- nsided_conn_array[47] = 10
-
-
-________________________
-------------------------
-Modified Library Routine
-________________________
-------------------------
-
---------------------------------------------------------------------
-USERD_get_gold_part_build_info
-
- Description:
- -----------
- Gets the info needed for part building process
-
- Specification:
- -------------
- int
- USERD_get_gold_part_build_info(int *part_id,
- int *part_types,
- char *part_description[Z_BUFL],
- int *number_of_nodes,
- int *number_of_elements[Z_MAXTYPE],
- int *ijk_dimensions[9],
- int *iblanking_options[6])
-
- Returns:
- -------
- Z_OK if successful
- Z_ERR if not successful
-
- Arguments:
- ---------
- (OUT) part_id = Array containing the external part
- ids for each of the model parts.
-
- IMPORTANT:
- Parts numbers must be >= 1, because
- of the way they are used in the GUI
-
- *******************************************
- The ids provided here are the numbers by
- which the parts will be referred to in the
- GUI (if possible). They are basically
- labels as far as you are concerned.
-
- Note: The part numbers you pass to routines
- which receive a part_number or block_number
- or which_part as an argument are the 1-based
- table index of the parts!
-
- example: If Numparts_available = 3
-
- Table index part_id
- ----------- -------
- 1 13
- 2 57
- 3 125
-
- ^ ^
- | |
- | These are placed in:
- | part_id[0] = 13
- | part_id[1] = 57
- | part_id[2] = 125
- | for GUI labeling purposes.
- |
- These implied table indices are the part_number,
- block_number, or which_part numbers that you would
- pass to routines like:
-
- USERD_get_part_coords(int part_number,...
- USERD_get_part_node_ids(int part_number,...
- USERD_get_part_elements_by_type(int part_number,...
- USERD_get_part_element_ids_by_type(int part_number,...
- USERD_get_block_coords_by_component(int block_number,...
- USERD_get_block_iblanking(int block_number,...
- USERD_get_block_ghost_flags(int block_number,...
- USERD_get_ghosts_in_block_flag(int block_number)
- USERD_get_border_availability( int part_number,...
- USERD_get_border_elements_by_type( int part_number,...
- USERD_get_var_by_component(int which_variable,
- int which_part,...
- USERD_get_var_value_at_specific(int which_var,
- int which_node_or_elem,
- int which_part,...
- ********************************************
-
- (Array will have been allocated
- Numparts_available long)
-
- (OUT) part_types = Array containing one of the
- following for each model part:
-
- Z_UNSTRUCTURED or
- Z_STRUCTURED or
- Z_IBLANKED
-
- (Array will have been allocated
- Numparts_available long)
-
- (OUT) part_description = Array containing a description
- for each of the model parts
-
- (Array will have been allocated
- Numparts_available by Z_BUFL
- long)
-
- (OUT) number_of_nodes = Number of unstructured nodes in the part
-
- (Array will have been allocated
- Numparts_available long)
-
- (OUT) number_of_elements = 2D array containing number of
- each type of element for each
- unstructured model part.
- ------------
- Possible types are:
-
- Z_POINT = point
- Z_BAR02 = 2-noded bar
- Z_BAR03 = 3-noded bar
- Z_TRI03 = 3-noded triangle
- Z_TRI06 = 6-noded triangle
- Z_QUA04 = 4-noded quadrilateral
- Z_QUA08 = 8-noded quadrilateral
- Z_TET04 = 4-noded tetrahedron
- Z_TET10 = 10-noded tetrahedron
- Z_PYR05 = 5-noded pyramid
- Z_PYR13 = 13-noded pyramid
- Z_PEN06 = 6-noded pentahedron
- Z_PEN15 = 15-noded pentahedron
- Z_HEX08 = 8-noded hexahedron
- Z_HEX20 = 20-noded hexahedron
-
- Starting at API 2.01:
- ====================
- Z_G_POINT ghost node point element
- Z_G_BAR02 2 node ghost bar
- Z_G_BAR03 3 node ghost bar
- Z_G_TRI03 3 node ghost triangle
- Z_G_TRI06 6 node ghost triangle
- Z_G_QUA04 4 node ghost quad
- Z_G_QUA08 8 node ghost quad
- Z_G_TET04 4 node ghost tetrahedron
- Z_G_TET10 10 node ghost tetrahedron
- Z_G_PYR05 5 node ghost pyramid
- Z_G_PYR13 13 node ghost pyramid
- Z_G_PEN06 6 node ghost pentahedron
- Z_G_PEN15 15 node ghost pentahedron
- Z_G_HEX08 8 node ghost hexahedron
- Z_G_HEX20 20 node ghost hexahedron
-
- Starting at API 2.02:
- ====================
- Z_NSIDED n node nsided polygon
- Z_NFACED n face nfaced polyhedron
- Z_G_NSIDED n node ghost nsided polygon
- Z_G_NFACED n face ghost nfaced polyhedron
-
- (Ignored unless Z_UNSTRUCTURED type)
-
- (Array will have been allocated
- Numparts_available by
- Z_MAXTYPE long)
-
- (OUT) ijk_dimensions = 2D array containing ijk dimension info
- for structured blocks
-
- For Z_UNSTRUCTURED - is ignored
-
- For Z_STRUCTURED or Z_IBLANKED
-
- Prior to version 2.03:
- ----------------------
- (Array will have been allocated
- Numparts_available by 3 long)
-
- ijk_dimensions[][0] = I dimension
- ijk_dimensions[][1] = J dimension
- ijk_dimensions[][2] = K dimension
-
-
- Starting at version 2.03:
- ------------------------
- (Array will have been allocated
- Numparts_available by 9 long)
-
- There are two ways to do this:
- ------------------------------
- 1. The simple one, without ranges.
-
- This is good for all structured models
- that will NOT be used in EnSight's
- Server of Servers
-
- Simply provide the ijk dimensions in the
- first three slots and place a -1 in
- the 4th slot. (The remaining slots will
- be ignored).
-
- Thus,
- ijk_dimensions[][0] = I dimension of block
- ijk_dimensions[][1] = J dimension of block
- ijk_dimensions[][2] = K dimension of block
- ijk_dimensions[][3] = -1
-
- (J planes)
- 4 *-------*-------*
- | | | ijk_dimension[0][0] = 3
- | | | ijk_dimension[0][1] = 4
- | | | ijk_dimension[0][2] = 1
- 3 *-------*-------*
- | | | ijk_dimension[0][4] = -1
- | | |
- | | |
- 2 *-------*-------*
- | | |
- | | |
- | | |
- 1 *-------*-------*
- 1 2 3 (I planes)
-
-
-
- 2. Using ranges.
-
- This one can be used anytime, but MUST
- be used if EnSight's Server of Servers
- is to be used!
-
- The first 3 slots contain the ijk dimension
- of the complete block (of which this may be
- a portion). The last 6 slots contain the
- ijk min and max ranges within the complete.
-
- Thus,
- ijk_dimensions[][0] = I dim of complete block
- ijk_dimensions[][1] = J dim of complete block
- ijk_dimensions[][2] = K dim of complete block
-
- ijk_dimensions[][3] = Imin of portion (1-based)
- ijk_dimensions[][4] = Imax of portion (1-based)
- ijk_dimensions[][5] = Jmin of portion (1-based)
- ijk_dimensions[][6] = Jmax of portion (1-based)
- ijk_dimensions[][7] = Kmin of portion (1-based)
- ijk_dimensions[][8] = Kmax of portion (1-based)
-
-
- example1: (Model has one part, a simple 2D block,
- and want whole thing)
-
- (J planes)
- 4 *-------*-------*
- | | | ijk_dimension[0][0] = 3
- | | | ijk_dimension[0][1] = 4
- | | | ijk_dimension[0][2] = 1
- 3 *-------*-------*
- | | | ijk_dimension[0][3] = 1
- | | | ijk_dimension[0][4] = 3
- | | | ijk_dimension[0][5] = 1
- 2 *-------*-------* ijk_dimension[0][6] = 4
- | | | ijk_dimension[0][7] = 1
- | | | ijk_dimension[0][8] = 1
- | | |
- 1 *-------*-------*
- 1 2 3 (I planes)
-
-
- example2: (Want to have the block represented
- in two portions - 2 parts)
-
- (J planes) top portion
- 4 *-------*-------*
- | | | ijk_dimension[0][0] = 3
- | | | ijk_dimension[0][1] = 4
- | | | ijk_dimension[0][2] = 1
- 3 *-------*-------*
- . . . ijk_dimension[0][4] = 1
- . . . ijk_dimension[0][4] = 3
- . . . ijk_dimension[0][4] = 3
- 2 ................. ijk_dimension[0][4] = 4
- . . . ijk_dimension[0][4] = 1
- . . . ijk_dimension[0][4] = 1
- . . .
- 1 .................
- 1 2 3 (I planes)
-
-
- (J planes) bottom portion
- 4 .................
- . . . ijk_dimension[1][0] = 3
- . . . ijk_dimension[2][1] = 4
- . . . ijk_dimension[3][2] = 1
- 3 *-------*-------*
- | | | ijk_dimension[1][4] = 1
- | | | ijk_dimension[1][4] = 3
- | | | ijk_dimension[1][4] = 1
- 2 *-------*-------* ijk_dimension[1][4] = 3
- | | | ijk_dimension[1][4] = 1
- | | | ijk_dimension[1][4] = 1
- | | |
- 1 *-------*-------*
- 1 2 3 (I planes)
-
-
- And note that if you were partioning this block for
- EnSight's Server of Servers, you would only have one part,
- instead of two. Each SOS server would return its appropriate
- ranges in the last 6 slots. The first 3 slots would remain constant.
-
-
- (OUT) iblanking_options = 2D array containing iblanking
- options possible for each
- structured model part.
- ----------
- (Ignored unless Z_IBLANKED type)
-
- (Array will have been allocated
- Numparts_available by 6 long)
-
- iblanking_options[][Z_EXT] = TRUE if external (outside)
- [][Z_INT] = TRUE if internal (inside)
- [][Z_BND] = TRUE if boundary
- [][Z_INTBND] = TRUE if internal boundary
- [][Z_SYM] = TRUE if symmetry surface
-
-
- Notes:
- -----
- If you haven't built a table of pointers to the different parts,
- you might want to do so here as you gather the needed info.
-
- This will be based on Current_time_step
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_bkup.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_bkup.H
deleted file mode 100644
index 39e017b..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_bkup.H
+++ /dev/null
@@ -1,16 +0,0 @@
-//======================================================================
-// backup is not implemented
-//======================================================================
-int USERD_bkup
-(
- FILE *archive_file,
- int backup_type)
-{
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_bkup" << endl
- << flush;
-#endif
- return Z_ERR;
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_exit_routine.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_exit_routine.H
deleted file mode 100644
index 0b8f3f6..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_exit_routine.H
+++ /dev/null
@@ -1,15 +0,0 @@
-// Do nothing
-void USERD_exit_routine
-(
- void
-)
-{
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_exit_routine" << endl
- << flush;
-#endif
-
-}
-
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_border_availability.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_border_availability.H
deleted file mode 100644
index a094798..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_border_availability.H
+++ /dev/null
@@ -1,19 +0,0 @@
-
-// Not used
-
-int USERD_get_border_availability
-(
- int part_number,
- int number_of_elements[Z_MAXTYPE]
-)
-{
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_get_border_availability for part_number "
- << part_number << endl
- << flush;
-#endif
-
- return Z_ERR;
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_border_elements_by_type.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_border_elements_by_type.H
deleted file mode 100644
index 588c1f0..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_border_elements_by_type.H
+++ /dev/null
@@ -1,21 +0,0 @@
-
-// Not called if USERD_border_availability returns Z_ERR
-
-int USERD_get_border_elements_by_type
-(
- int part_number,
- int element_type,
- int **conn_array,
- short *parent_element_type,
- int *parnet_element_type
-)
-{
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_get_border_elements_by_type" << endl
- << flush;
-#endif
-
- return Z_ERR;
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_changing_geometry_status.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_changing_geometry_status.H
deleted file mode 100644
index e9cc450..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_changing_geometry_status.H
+++ /dev/null
@@ -1,13 +0,0 @@
-//======================================================================
-int USERD_get_changing_geometry_status(void)
-{
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_get_changing_geometry_status" << endl << flush;
-#endif
-
- // Choose the most general option
- return Z_CHANGE_CONN;
-}
-
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_constant_val.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_constant_val.H
deleted file mode 100644
index c321982..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_constant_val.H
+++ /dev/null
@@ -1,17 +0,0 @@
-
-//======================================================================
-// Not in use
-//======================================================================
-float USERD_get_constant_val
-(
- int which_var,
- int imag_data
-)
-{
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_get_constant_val" << endl << flush;
-#endif
- return 0.0;
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_dataset_query_file_info.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_dataset_query_file_info.H
deleted file mode 100644
index e5dd7dd..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_dataset_query_file_info.H
+++ /dev/null
@@ -1,10 +0,0 @@
-//======================================================================
-// NOT SUPPORTED... yet, if ever!
-//======================================================================
-int USERD_get_dataset_query_file_info(Z_QFILES *qfiles)
-{
- // just return OK
- return Z_OK;
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_descrip_lines.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_descrip_lines.H
deleted file mode 100644
index dd4cc1b..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_descrip_lines.H
+++ /dev/null
@@ -1,34 +0,0 @@
-//======================================================================
-int USERD_get_descrip_lines
-(
- int which_type,
- int which_var,
- int imag_data,
- char line1[Z_BUFL],
- char line2[Z_BUFL]
-)
-{
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_get_descrip_lines" << endl
- << flush;
-#endif
-
- if (which_type == Z_GEOM)
- {
- strncpy(line1, meshName, Z_BUFL);
- strncpy(line2, "", Z_BUFL);
- }
- else
- {
- strncpy(line1, "WHERE IS THIS LINE USED I WONDER???", Z_BUFL);
- }
-
-#ifdef ENSIGHTDEBUG
- Info << "Leaving: USERD_get_descrip_lines" << endl
- << flush;
-#endif
- return Z_OK;
-}
-
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_element_label_status.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_element_label_status.H
deleted file mode 100644
index d971625..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_element_label_status.H
+++ /dev/null
@@ -1,13 +0,0 @@
-//======================================================================
-// if TRUE: set in USERD_get_element_ids_for_part
-//======================================================================
-int USERD_get_element_label_status(void)
-{
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_get_element_label_status" << endl << flush;
-#endif
- return TRUE;
-}
-
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_geom_timeset_number.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_geom_timeset_number.H
deleted file mode 100644
index 5f5f5e5..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_geom_timeset_number.H
+++ /dev/null
@@ -1,16 +0,0 @@
-int USERD_get_geom_timeset_number
-(
- void
-)
-{
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_get_geom_timeset_number" << endl
- << flush;
-#endif
-
- Geom_timeset_number = 1;
-
- return Geom_timeset_number;
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_gold_part_build_info.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_gold_part_build_info.H
deleted file mode 100644
index 0163355..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_gold_part_build_info.H
+++ /dev/null
@@ -1,158 +0,0 @@
-//======================================================================
-// this is based on the current time step.
-//======================================================================
-int USERD_get_gold_part_build_info
-(
- int *part_numbers,
- int *part_types,
- char *part_descriptions[Z_BUFL],
- int *number_of_nodes,
- int *number_of_elements[Z_MAXTYPE],
- int *ijk_dimensions[3],
- int *iblanking_options[6]
-)
-{
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_get_gold_part_build_info" << endl << flush;
-#endif
-
- //# include "checkForNewMesh.H"
-
- const cellShapeList& cellShapes = meshPtr->cellShapes();
- const cellList& cells = meshPtr->cells();
-
- label nCells = cells.size();
-
- // all parts are unstructured
- for (label n = 0; n<Numparts_available; n++)
- {
- part_numbers[n] = n + 1;
- part_types[n] = Z_UNSTRUCTURED;
- }
-
- strncpy(part_descriptions[0], meshName, Z_BUFL);
-
- for(label i=0; i<nPatches; i++)
- {
- word patchName(meshPtr->boundary()[i].name());
- strncpy(part_descriptions[i+1], patchName.c_str(), Z_BUFL);
- }
-
- label nHex08 = 0;
- label nPen06 = 0;
- label nPyr05 = 0;
- label nTet04 = 0;
- label nFaced = 0;
-
- for (label n=0; n<nCells; n++)
- {
- label nFacesInCell = cells[n].size();
- labelList points = cellShapes[n];
-
- if ((nFacesInCell == 6) && (points.size() == 8))
- {
- nHex08++;
- }
- else if ((nFacesInCell == 4) && (points.size() == 4))
- {
- nTet04++;
- }
- else if (nFacesInCell == 5)
- {
- if (points.size() == 6)
- {
- nPen06++;
- }
- else if (points.size() == 5)
- {
- nPyr05++;
- }
- else
- {
- nFaced++;
- }
- }
- else
- {
- nFaced++;
- }
- }
-
- for (label n=0; n < Z_MAXTYPE; n++)
- {
- for (label i=0; i<Numparts_available; i++)
- {
- number_of_elements[i][n] = 0;
- }
- }
-
- number_of_elements[0][Z_TET04] = nTet04;
- number_of_elements[0][Z_PYR05] = nPyr05;
- number_of_elements[0][Z_HEX08] = nHex08;
- number_of_elements[0][Z_PEN06] = nPen06;
- number_of_elements[0][Z_NFACED] = nFaced;
-
- /*
- Info << "nTet04 = " << nTet04 << endl;
- Info << "nPyr05 = " << nPyr05 << endl;
- Info << "nHex08 = " << nHex08 << endl;
- Info << "nPen06 = " << nPen06 << endl;
- Info << "nFaced = " << nFaced << endl;
- */
-
- number_of_nodes[0] = meshPtr->nPoints();
-
- const polyBoundaryMesh& bMesh = meshPtr->boundaryMesh();
-
- for(label i=0; i<nPatches; i++)
- {
- label nTri03 = 0;
- label nQuad04 = 0;
- label nPoly = 0;
-
- forAll(bMesh[i], n)
- {
- label nPoints = bMesh[i][n].size();
-
- if (nPoints == 3)
- {
- nTri03++;
- }
- else if (nPoints == 4)
- {
- nQuad04++;
- }
- else
- {
- nPoly++;
- }
- }
-
- number_of_elements[i+1][Z_TRI03] = nTri03;
- number_of_elements[i+1][Z_QUA04] = nQuad04;
- number_of_elements[i+1][Z_NSIDED] = nPoly;
-
- number_of_nodes[i+1] = bMesh[i].points().size();
- }
-
- if (Numparts_available > nPatches+1)
- {
- strncpy
- (
- part_descriptions[nPatches+1],
- cloud::prefix.c_str(),
- Z_BUFL
- );
- number_of_elements[nPatches+1][Z_POINT] = sprayPtr->size();
- number_of_nodes[nPatches+1] = sprayPtr->size();
- }
-
-#ifdef ENSIGHTDEBUG
- Info << "Leaving: USERD_get_gold_part_build_info" << endl << flush;
-#endif
-
- return Z_OK;
-}
-
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_gold_variable_info.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_gold_variable_info.H
deleted file mode 100644
index 6514211..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_gold_variable_info.H
+++ /dev/null
@@ -1,125 +0,0 @@
-//======================================================================
-// variable 1 - var[0] , i.e variables are zero based
-//======================================================================
-int USERD_get_gold_variable_info
-(
- char **var_description,
- char **var_filename,
- int *var_type,
- int *var_classify,
- int *var_complex,
- char **var_ifilename,
- float *var_freq,
- int *var_contran,
- int *var_timeset
-)
-{
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_get_gold_variable_info" << endl
- << flush;
-#endif
-
- label offset = Num_variables - nSprayVariables;
-
- // scalars first ...
- for (label n=0; n<offset; n++)
- {
- if (isScalar[var2field[n]])
- {
- var_type[n] = Z_SCALAR;
- var_classify[n] = Z_PER_ELEM;
- var_complex[n] = FALSE;
- var_timeset[n] = 1;
- strncpy
- (
- var_description[n],
- fieldNames[var2field[n]].c_str(),
- Z_BUFL
- );
- }
- }
-
- // ... and then vectors
- for (label n=0; n<offset; n++)
- {
- if (isVector[var2field[n]])
- {
- var_type[n] = Z_VECTOR;
- var_classify[n] = Z_PER_ELEM;
- var_complex[n] = FALSE;
- var_timeset[n] = 1;
- strncpy
- (
- var_description[n],
- fieldNames[var2field[n]].c_str(),
- Z_BUFL
- );
- }
- }
-
- // ... and tensors (NB! all tensors are treated as asymmetric)
- for (label n=0; n<offset; n++)
- {
- if (isTensor[var2field[n]])
- {
- var_type[n] = Z_TENSOR9;
- var_classify[n] = Z_PER_ELEM;
- var_complex[n] = FALSE;
- var_timeset[n] = 1;
- strncpy
- (
- var_description[n],
- fieldNames[var2field[n]].c_str(),
- Z_BUFL
- );
- }
- }
-
- if (Numparts_available > nPatches+1)
- {
-
- label Ns = lagrangianScalarNames.size();
-
- for (label n=0; n<Ns; n++)
- {
- var_type[offset + n] = Z_SCALAR;
- var_classify[offset + n] = Z_PER_ELEM;
- var_complex[offset + n] = FALSE;
- var_timeset[offset + n] = 1;
- word name = parcelPrepend + lagrangianScalarNames[n];
- strncpy
- (
- var_description[offset + n],
- name.c_str(),
- Z_BUFL
- );
- }
-
- for (label n=0; n<lagrangianVectorNames.size(); n++)
- {
- var_type[offset + Ns + n] = Z_VECTOR;
- var_classify[offset + Ns + n] = Z_PER_ELEM;
- var_complex[offset + Ns + n] = FALSE;
- var_timeset[offset + Ns + n] = 1;
- word name = parcelPrepend + lagrangianVectorNames[n];
- strncpy
- (
- var_description[offset + Ns + n],
- name.c_str(),
- Z_BUFL
- );
- }
- }
-
-#ifdef ENSIGHTDEBUG
- Info << "Leaving: USERD_get_gold_variable_info" << endl
- << flush;
-#endif
-
- return Z_OK;
-}
-
-
-
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_matf_set_info.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_matf_set_info.H
deleted file mode 100644
index f88c385..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_matf_set_info.H
+++ /dev/null
@@ -1,16 +0,0 @@
-
-int USERD_get_matf_set_info
-(
- int *mat_set_ids,
- char **mat_set_name
-)
-{
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_get_matf_set_info" << endl
- << flush;
-#endif
-
- return Z_ERR;
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_matf_var_info.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_matf_var_info.H
deleted file mode 100644
index 71c51e8..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_matf_var_info.H
+++ /dev/null
@@ -1,17 +0,0 @@
-
-int USERD_get_matf_var_info
-(
- int set_index,
- int *mat_ids,
- char **mat_desc
-)
-{
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_get_matf_var_info" << endl
- << flush;
-#endif
-
- return Z_ERR;
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_maxsize_info.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_maxsize_info.H
deleted file mode 100644
index 23435a7..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_maxsize_info.H
+++ /dev/null
@@ -1,103 +0,0 @@
-int USERD_get_maxsize_info
-(
- int *max_number_of_nodes,
- int *max_number_of_elements[Z_MAXTYPE],
- int *max_ijk_dimensions[3]
-)
-{
- return Z_ERR;
-
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_get_maxsize_info" << endl;
-#endif
-
- label maxNPoints = 0;
- label maxNParcels = 0;
-
- label nPen06Max = 0;
- label nHex08Max = 0;
- label nPyr05Max = 0;
- label nTet04Max = 0;
-
- Info<< "Checking all time steps for EnSight memory allocation purpose. This can take some time." << endl;
-
- for (label timeI=1; timeI < timeDirs.size(); ++timeI)
- {
-
- label nPen06 = 0;
- label nHex08 = 0;
- label nPyr05 = 0;
- label nTet04 = 0;
-
- runTimePtr->setTime(timeDirs[timeI], timeI);
-
- Info<< "Checking time = " << runTimePtr->timeName() << endl;
-
- const cellShapeList& cells = meshPtr->cellShapes();
-
- const label nPoints = meshPtr->nPoints();
- const label nCells = cells.size();
-
- maxNPoints = max(maxNPoints, nPoints);
-
- for (label n=0; n<nCells;n++)
- {
- label nFaces = cells[n].nFaces();
- const labelList& points = cells[n];
-
- if ((nFaces == 6) && (points.size() == 8))
- {
- nHex08++;
- }
- else if ((nFaces == 5) && (points.size() == 6))
- {
- nPen06++;
- }
- else if ((nFaces == 5) && (points.size() == 5))
- {
- nPyr05++;
- }
- else if ((nFaces == 4) && (points.size() == 4))
- {
- nTet04++;
- }
- }
-
- nPen06Max = max(nPen06Max, nPen06);
- nHex08Max = max(nHex08Max, nHex08);
- nPyr05Max = max(nPyr05Max, nPyr05);
- nTet04Max = max(nTet04Max, nTet04);
-
- if (Numparts_available > 1)
- {
- // Get the maximum number of spray parcels
- // and store it
- Cloud<passiveParticle> lagrangian(*meshPtr);
-
- if (lagrangian.size() > nMaxParcels)
- {
- nMaxParcels = lagrangian.size();
- }
- }
- }
-
- max_number_of_nodes[0] = maxNPoints;
- max_number_of_elements[0][Z_HEX08] = nHex08Max;
- max_number_of_elements[0][Z_PEN06] = nPen06Max;
- max_number_of_elements[0][Z_PYR05] = nPyr05Max;
- max_number_of_elements[0][Z_TET04] = nTet04Max;
-
- if (Numparts_available > 1)
- {
- max_number_of_nodes[1] = maxNParcels;
- max_number_of_elements[1][Z_POINT] = maxNParcels;
- }
-
-#ifdef ENSIGHTDEBUG
- Info<< "Leaving: USERD_get_maxsize_info" << endl;
-#endif
-
- return Z_OK;
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_model_extents.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_model_extents.H
deleted file mode 100644
index 26afc06..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_model_extents.H
+++ /dev/null
@@ -1,17 +0,0 @@
-
-// Not used. Let EnSight do the job.
-
-int USERD_get_model_extents
-(
- float extents[6]
-)
-{
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_get_model_extents" << endl
- << flush;
-#endif
-
- return Z_ERR;
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_name_of_reader.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_name_of_reader.H
deleted file mode 100644
index 81c9ad0..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_name_of_reader.H
+++ /dev/null
@@ -1,20 +0,0 @@
-//======================================================================
-// Setting name in the gui, and specifying one or two input fields
-//======================================================================
-int USERD_get_name_of_reader
-(
- char reader_name[Z_MAX_USERD_NAME],
- int *two_fields
-)
-{
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_get_name_of_reader" << endl << flush;
-#endif
-
- strncpy(reader_name, readerName, Z_MAX_USERD_NAME);
- *two_fields = FALSE;
-
- return Z_OK;
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_nfaced_conn.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_nfaced_conn.H
deleted file mode 100644
index aa42d7f..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_nfaced_conn.H
+++ /dev/null
@@ -1,81 +0,0 @@
-
-int USERD_get_nfaced_conn
-(
- int part_number,
- int *nfaced_conn_array
-)
-{
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_get_nfaced_conn"
- << ", part_number = " << part_number
- << endl
- << flush;
-#endif
-
- if (part_number == 1)
- {
- label nPoint = 0;
- const cellShapeList& cellShapes = meshPtr->cellShapes();
- const cellList& cells = meshPtr->cells();
- const faceList& faces = meshPtr->faces();
- label nCells = cellShapes.size();
-
- for (label n=0; n<nCells; n++)
- {
- label nFacesInCell = cells[n].size();
- labelList points = cellShapes[n];
- if ((nFacesInCell == 6) && (points.size() == 8))
- {}
- else if ((nFacesInCell == 4) && (points.size() == 4))
- {}
- else if (nFacesInCell == 5)
- {
- if (points.size() == 6)
- {}
- else if (points.size() == 5)
- {}
- else
- {
- for(label i=0; i<nFacesInCell; i++)
- {
- label facei = cells[n][i];
- label nPoints = faces[facei].size();
- for(label j=0; j<nPoints; j++)
- {
- nfaced_conn_array[nPoint++] = faces[facei][j] + 1;
- }
- }
- }
- }
- else
- {
- for(label i=0; i<nFacesInCell; i++)
- {
- label facei = cells[n][i];
- label nPoints = faces[facei].size();
- for(label j=0; j<nPoints; j++)
- {
- nfaced_conn_array[nPoint++] = faces[facei][j] + 1;
- }
- }
- }
- }
-
- }
- else if (part_number < nPatches+2)
- {
-
- }
- else
- {
- return Z_ERR;
- }
-
-#ifdef ENSIGHTDEBUG
- Info << "Exiting: USERD_get_nfaced_conn" << endl
- << flush;
-#endif
- return Z_OK;
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_nfaced_nodes_per_face.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_nfaced_nodes_per_face.H
deleted file mode 100644
index 645ef45..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_nfaced_nodes_per_face.H
+++ /dev/null
@@ -1,76 +0,0 @@
-
-int USERD_get_nfaced_nodes_per_face
-(
- int part_number,
- int *nfaced_npf_array
-)
-{
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_get_nfaced_nodes_per_face"
- << ", part_number = " << part_number
- << endl
- << flush;
-#endif
-
- if (part_number == 1)
- {
- const cellShapeList& cellShapes = meshPtr->cellShapes();
- const cellList& cells = meshPtr->cells();
- const faceList& faces = meshPtr->faces();
-
- label nCells = cellShapes.size();
- label nFaced = 0;
- for (label n=0; n<nCells; n++)
- {
- label nFacesInCell = cells[n].size();
- labelList points = cellShapes[n];
- label nPoints = points.size();
-
- if ((nFacesInCell == 6) && (nPoints == 8))
- {}
- else if ((nFacesInCell == 4) && (nPoints == 4))
- {}
- else if (nFacesInCell == 5)
- {
- if (nPoints == 6)
- {}
- else if (nPoints == 5)
- {}
- else
- {
- for(label i=0; i<nFacesInCell; i++)
- {
- label facei = cells[n][i];
- label nFacePoints = faces[facei].size();
- nfaced_npf_array[nFaced++] = nFacePoints;
- }
- }
- }
- else
- {
- for(label i=0; i<nFacesInCell; i++)
- {
- label facei = cells[n][i];
- label nFacePoints = faces[facei].size();
- nfaced_npf_array[nFaced++] = nFacePoints;
- }
- }
- }
-
- }
- else if (part_number < nPatches+2)
- {
- return Z_ERR;
- }
- else
- {
- return Z_ERR;
- }
-#ifdef ENSIGHTDEBUG
- Info << "Exiting: USERD_get_nfaced_nodes_per_face" << endl
- << flush;
-#endif
- return Z_OK;
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_node_label_status.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_node_label_status.H
deleted file mode 100644
index 7dbdd12..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_node_label_status.H
+++ /dev/null
@@ -1,14 +0,0 @@
-//======================================================================
-// if TRUE: set in USERD_get_global_node_ids
-//======================================================================
-int USERD_get_node_label_status(void)
-{
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_node_label_status" << endl << flush;
-#endif
-
- return TRUE;
-}
-
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_nsided_conn.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_nsided_conn.H
deleted file mode 100644
index 78320af..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_nsided_conn.H
+++ /dev/null
@@ -1,51 +0,0 @@
-
-int USERD_get_nsided_conn
-(
- int part_number,
- int *nsided_conn_array
-)
-{
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_get_nsided_conn"
- << ", part_number = " << part_number
- << endl
- << flush;
-#endif
- if (part_number == 1)
- {
- Info << "************* EEEEEEEEERRRRRRRRRRRRRRRRRR *************** " << endl << flush;
-
- }
- else if (part_number < nPatches+2)
- {
- //const cellList& cells = meshPtr->cells();
- //const faceList& faces = meshPtr->faces();
-
- label patchi = part_number - 2;
- const polyBoundaryMesh& bMesh = meshPtr->boundaryMesh();
-
- label np = 0;
- forAll(bMesh[patchi], facei)
- {
- label nPoints = bMesh[patchi][facei].size();
- if ((nPoints != 3) && (nPoints != 4))
- {
- for(label i=0; i<nPoints; i++)
- {
- nsided_conn_array[np++] = bMesh[patchi][facei][i] + 1;
- }
- }
- }
- }
- else if (part_number == nPatches+2)
- {
- return Z_ERR;
- }
-#ifdef ENSIGHTDEBUG
- Info << "Exiting: USERD_get_nsided_conn" << endl
- << flush;
-#endif
- return Z_OK;
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_num_of_time_steps.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_num_of_time_steps.H
deleted file mode 100644
index 12a52a0..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_num_of_time_steps.H
+++ /dev/null
@@ -1,17 +0,0 @@
-//======================================================================
-// don't use multiple time sets...NN
-//======================================================================
-int USERD_get_num_of_time_steps
-(
- int timeset_number
-)
-{
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_get_num_of_time_steps" << endl
- << flush;
-#endif
-
- return Num_time_steps;
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_number_of_files_in_dataset.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_number_of_files_in_dataset.H
deleted file mode 100644
index 9dae4a0..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_number_of_files_in_dataset.H
+++ /dev/null
@@ -1,15 +0,0 @@
-//======================================================================
-//
-//======================================================================
-int USERD_get_number_of_files_in_dataset(void)
-{
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_get_number_of_files_in_dataset" << endl << flush;
-#endif
-
- // use 1 insted of 0 which gives an un-necessary warning.
- Num_dataset_files = 1;
- return Num_dataset_files;;
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_number_of_material_sets.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_number_of_material_sets.H
deleted file mode 100644
index 8a9d6be..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_number_of_material_sets.H
+++ /dev/null
@@ -1,16 +0,0 @@
-
-int USERD_get_number_of_material_sets
-(
- void
-)
-{
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_get_number_of_material_sets" << endl
- << flush;
-#endif
-
- // No materials
- return 0;
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_number_of_materials.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_number_of_materials.H
deleted file mode 100644
index 2a06873..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_number_of_materials.H
+++ /dev/null
@@ -1,16 +0,0 @@
-
-int USERD_get_number_of_materials
-(
- int set_index
-)
-{
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_get_number_of_materials" << endl
- << flush;
-#endif
-
- // No materials
- return 0;
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_number_of_model_parts.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_number_of_model_parts.H
deleted file mode 100644
index 526d808..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_number_of_model_parts.H
+++ /dev/null
@@ -1,11 +0,0 @@
-
-int USERD_get_number_of_model_parts(void)
-{
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_get_number_of_model_parts" << endl << flush;
-#endif
-
- return Numparts_available;
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_number_of_variables.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_number_of_variables.H
deleted file mode 100644
index 163dbf9..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_number_of_variables.H
+++ /dev/null
@@ -1,11 +0,0 @@
-//======================================================================
-int USERD_get_number_of_variables(void)
-{
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_get_number_of_variables" << endl << flush;
-#endif
-
- return Num_variables;
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_number_timesets.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_number_timesets.H
deleted file mode 100644
index e523af5..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_number_timesets.H
+++ /dev/null
@@ -1,15 +0,0 @@
-int USERD_get_number_of_timesets
-(
- void
-)
-{
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_get_number_of_timesets" << endl
- << flush;
-#endif
-
- Num_timesets = 1;
- return Num_timesets;
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_part_coords.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_part_coords.H
deleted file mode 100644
index ab3fc0b..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_part_coords.H
+++ /dev/null
@@ -1,79 +0,0 @@
-// Note: coord_array is 1-based.
-
-int USERD_get_part_coords
-(
- int part_number,
- float **coord_array
-)
-{
-
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_get_part_coords" << endl <<
- "part_number = " << part_number << endl << flush;
-#endif
-
- if (part_number == 1)
- {
-
- //# include "checkForNewMesh.H"
-
- const vectorField& points = meshPtr->points();
- label nPoints = points.size();
-
- for (label indx=0; indx<nPoints; indx++)
- {
- coord_array[0][indx+1] = (float)points[indx].x();
- coord_array[1][indx+1] = (float)points[indx].y();
- coord_array[2][indx+1] = (float)points[indx].z();
- }
- }
- else if (part_number < nPatches+2)
- {
-
- //# include "checkForNewMesh.H"
-
- label patchi = part_number-2;
- const polyBoundaryMesh& bMesh = meshPtr->boundaryMesh();
- const vectorField& points = bMesh[patchi].points();
- label nPoints = points.size();
-
- for (label indx=0; indx<nPoints; indx++)
- {
- coord_array[0][indx+1] = (float)points[indx].x();
- coord_array[1][indx+1] = (float)points[indx].y();
- coord_array[2][indx+1] = (float)points[indx].z();
- }
-
- }
- else if (part_number == nPatches+2)
- {
-
- label indx = 1;
-
- for
- (
- Cloud<passiveParticle>::iterator elmnt = sprayPtr->begin();
- elmnt != sprayPtr->end();
- ++elmnt
- )
- {
- coord_array[0][indx] = (float)elmnt().position().x();
- coord_array[1][indx] = (float)elmnt().position().y();
- coord_array[2][indx] = (float)elmnt().position().z();
- indx++;
- }
-
- }
- else
- {
- return Z_ERR;
- }
-
-#ifdef ENSIGHTDEBUG
- Info << "Leaving: USERD_get_part_coords" << endl << flush;
-#endif
-
- return Z_OK;
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_part_element_ids_by_type.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_part_element_ids_by_type.H
deleted file mode 100644
index 03a9465..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_part_element_ids_by_type.H
+++ /dev/null
@@ -1,164 +0,0 @@
-int USERD_get_part_element_ids_by_type
-(
- int part_number,
- int element_type,
- int *elemid_array
-)
-{
-
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_get_part_element_ids_by_type" << endl
- << "part_number = " << part_number << endl
- << "element_type = " << element_type << endl << flush;
-#endif
-
- if (part_number == 1)
- {
- const cellShapeList& cellShapes = meshPtr->cellShapes();
- const cellList& cells = meshPtr->cells();
-
- label nCells = cells.size();
-
- label nPen06 = 0;
- label nHex08 = 0;
- label nPyr05 = 0;
- label nTet04 = 0;
- label nFaced = 0;
-
- if (element_type == Z_HEX08)
- {
- for (label n=0; n<nCells; n++)
- {
- label nFaces = cells[n].size();
- labelList points = cellShapes[n];
-
- if ((nFaces == 6) && (points.size() == 8))
- {
- elemid_array[nHex08++] = n + 1;
- }
- }
- }
- else if (element_type == Z_PEN06)
- {
- for (label n=0; n<nCells; n++)
- {
- label nFaces = cells[n].size();
- labelList points = cellShapes[n];
-
- if ((nFaces == 5) && (points.size() == 6))
- {
- elemid_array[nPen06++] = n + 1;
- }
- }
- }
- else if (element_type == Z_PYR05)
- {
- for (label n=0; n<nCells; n++)
- {
- label nFaces = cells[n].size();
- labelList points = cellShapes[n];
-
- if ((nFaces == 5) && (points.size() == 5))
- {
- elemid_array[nPyr05++] = n + 1;
- }
- }
- }
- else if (element_type == Z_TET04)
- {
- for (label n=0; n<nCells; n++)
- {
- label nFaces = cells[n].size();
- labelList points = cellShapes[n];
-
- if ((nFaces == 4) && (points.size() == 4))
- {
- elemid_array[nTet04++] = n + 1;
- }
- }
- }
- else if (element_type == Z_NFACED)
- {
- for (label n=0; n<nCells; n++)
- {
- label nFaces = cells[n].size();
- labelList points = cellShapes[n];
- if ((nFaces == 6) && (points.size() == 8))
- {}
- else if ((nFaces == 5) && (points.size() == 6))
- {}
- else if ((nFaces == 5) && (points.size() == 5))
- {}
- else if ((nFaces == 4) && (points.size() == 4))
- {}
- else
- {
- elemid_array[nFaced++] = n + 1;
- }
-
- }
- }
- }
- else if (part_number < nPatches+2)
- {
-
- const polyBoundaryMesh& bMesh = meshPtr->boundaryMesh();
- label patchi = part_number - 2;
-
- label nTri03 = 0;
- label nQuad04 = 0;
- label nPoly = 0;
-
- if (element_type == Z_TRI03)
- {
- forAll(bMesh[patchi], facei)
- {
- if (bMesh[patchi][facei].size() == 3)
- {
- elemid_array[nTri03++] = facei + 1;
- }
- }
- }
- else if (element_type == Z_QUA04)
- {
- forAll(bMesh[patchi], facei)
- {
- if (bMesh[patchi][facei].size() == 4)
- {
- elemid_array[nQuad04++] = facei + 1;
- }
- }
- }
- else if (element_type == Z_NSIDED)
- {
- forAll(bMesh[patchi], facei)
- {
- label nPoints = bMesh[patchi][facei].size();
- if ((nPoints != 3) && (nPoints != 4))
- {
- elemid_array[nPoly++] = facei + 1;
- }
- }
- }
-
- }
- else if (part_number == nPatches+2)
- {
- for (label n=0; n<sprayPtr->size(); n++)
- {
- elemid_array[n] = n + 1;
- }
- }
- else
- {
- return Z_ERR;
- }
-
-#ifdef ENSIGHTDEBUG
- Info << "Leaving: USERD_get_part_element_ids_by_type" << endl << flush;
-#endif
-
- return Z_OK;
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_part_elements_by_type.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_part_elements_by_type.H
deleted file mode 100644
index 27a1dda..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_part_elements_by_type.H
+++ /dev/null
@@ -1,254 +0,0 @@
-int USERD_get_part_elements_by_type
-(
- int part_number,
- int element_type,
- int **conn_array
-)
-{
-# ifdef ENSIGHTDEBUG
- Info<< "Entering: USERD_get_part_elements_by_type" << nl
- << "part_number = " << part_number << nl
- << "element_type = " << element_type;
- if (element_type == Z_HEX08)
- {
- Info << " Z_HEX08";
- }
- else if (element_type == Z_PEN06)
- {
- Info << " Z_PEN06";
- }
- else if (element_type == Z_PYR05)
- {
- Info << " Z_PYR05";
- }
- else if (element_type == Z_TET04)
- {
- Info << " Z_TET04";
- }
- else if (element_type == Z_TRI03)
- {
- Info << " Z_TRI03";
- }
- else if (element_type == Z_QUA04)
- {
- Info << " Z_QUA04";
- }
- else if (element_type == Z_NFACED)
- {
- Info << " Z_NFACED";
- }
- else if (element_type == Z_NSIDED)
- {
- Info << " Z_NSIDED";
- }
- else
- {
- Info << " unknown";
- }
- Info << endl << flush;
-# endif
-
- if (part_number == 1)
- {
- const cellShapeList& cellShapes = meshPtr->cellShapes();
-
- //================================
- // hexahedron
- //================================
- if (element_type == Z_HEX08)
- {
- const cellModel& hex = *(cellModeller::lookup("hex"));
-
- label nHex08 = 0;
- forAll(cellShapes, celli)
- {
- const cellShape& cellShape = cellShapes[celli];
- const cellModel& cellModel = cellShape.model();
-
- if (cellModel == hex)
- {
- forAll(cellShape, ip)
- {
- conn_array[nHex08][ip] = cellShape[ip] + 1;
- }
- nHex08++;
- }
- }
- }
- //================================
- // pentahedron
- //================================
- else if (element_type == Z_PEN06)
- {
- const cellModel& prism = *(cellModeller::lookup("prism"));
-
- label nPen06 = 0;
- forAll(cellShapes, celli)
- {
- const cellShape& cellShape = cellShapes[celli];
- const cellModel& cellModel = cellShape.model();
-
- if (cellModel == prism)
- {
- forAll(cellShape, ip)
- {
- conn_array[nPen06][ip] = cellShape[ip] + 1;
- }
- nPen06++;
- }
- }
- }
- //================================
- // pyramid
- //================================
- else if (element_type == Z_PYR05)
- {
- const cellModel& pyr = *(cellModeller::lookup("pyr"));
-
- label nPyr05 = 0;
- forAll(cellShapes, celli)
- {
- const cellShape& cellShape = cellShapes[celli];
- const cellModel& cellModel = cellShape.model();
-
- if (cellModel == pyr)
- {
- forAll(cellShape, ip)
- {
- conn_array[nPyr05][ip] = cellShape[ip] + 1;
- }
- nPyr05++;
- }
- }
- }
- //================================
- // tetrahedron
- //================================
- else if (element_type == Z_TET04)
- {
- const cellModel& tet = *(cellModeller::lookup("tet"));
-
- label nTet04 = 0;
- forAll(cellShapes, celli)
- {
- const cellShape& cellShape = cellShapes[celli];
- const cellModel& cellModel = cellShape.model();
-
- if (cellModel == tet)
- {
- forAll(cellShape, ip)
- {
- conn_array[nTet04][ip] = cellShape[ip] + 1;
- }
- nTet04++;
- }
- }
- }
- //================================
- // polyhedra
- //================================
- else
- {
- label nCells = cellShapes.size();
- label nFaced = 0;
- const cellList cells = meshPtr->cells();
-
- for (label n=0; n<nCells; n++)
- {
- label nFacesInCell = cells[n].size();
- labelList points = cellShapes[n];
- if ((nFacesInCell == 6) && (points.size() == 8))
- {}
- else if ((nFacesInCell == 4) && (points.size() == 4))
- {}
- else if (nFacesInCell == 5)
- {
- if (points.size() == 6)
- {}
- else if (points.size() == 5)
- {}
- else
- {
- conn_array[nFaced++][0] = nFacesInCell;
- }
- }
- else
- {
- conn_array[nFaced++][0] = nFacesInCell;
- }
- }
- }
- }
- else if (part_number < nPatches+2)
- {
- label patchi = part_number - 2;
- const polyBoundaryMesh& bMesh = meshPtr->boundaryMesh();
-
- label nTri03 = 0;
- label nQuad04 = 0;
- if (element_type == Z_TRI03)
- {
- forAll(bMesh[patchi], n)
- {
- label nPoints = bMesh[patchi][n].size();
- if (nPoints == 3)
- {
- for(label i=0; i<nPoints; i++)
- {
- label ip = bMesh[patchi][n][i];
- conn_array[nTri03][i] = ip + 1;
- }
- nTri03++;
- }
- }
- }
- else if (element_type == Z_QUA04)
- {
- forAll(bMesh[patchi], n)
- {
- label nPoints = bMesh[patchi][n].size();
- if (nPoints == 4)
- {
- for(label i=0; i<nPoints; i++)
- {
- label ip = bMesh[patchi][n][i];
- conn_array[nQuad04][i] = ip + 1;
- }
- nQuad04++;
- }
- }
-
- }
- else if (element_type == Z_NSIDED)
- {
- label nPoly = 0;
- forAll(bMesh[patchi], n)
- {
- label nPoints = bMesh[patchi][n].size();
- if ((nPoints != 3) && (nPoints != 4))
- {
- conn_array[nPoly++][0] = nPoints;
- }
- }
- }
- }
- else if (part_number == nPatches+2)
- {
- for (label n=0; n<sprayPtr->size(); n++)
- {
- conn_array[n][0] = n + 1;
- }
- }
- else
- {
- return Z_ERR;
- }
-
-# ifdef ENSIGHTDEBUG
- Info<< "Leaving: USERD_get_part_elements_by_type" << endl;
-# endif
-
- return Z_OK;
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_part_node_ids.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_part_node_ids.H
deleted file mode 100644
index 7037761..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_part_node_ids.H
+++ /dev/null
@@ -1,62 +0,0 @@
-int USERD_get_part_node_ids
-(
- int part_number,
- int *nodeid_array
-)
-{
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_get_part_node_ids" << endl
- << "part_number = " << part_number << endl
- << flush;
-#endif
-
- if (part_number == 1)
- {
- for (label indx=0; indx<Num_global_nodes; indx++)
- {
- nodeid_array[indx] = indx + 1;
- }
- }
- else if (part_number < nPatches+2)
- {
-
- label patchi = part_number-2;
- const polyBoundaryMesh& bMesh = meshPtr->boundaryMesh();
- const vectorField& points = bMesh[patchi].points();
-
- label nPoints = points.size();
-
- for (label indx=0; indx<nPoints; indx++)
- {
- nodeid_array[indx] = indx + 1;
- }
-
- }
- else if (part_number == nPatches+2)
- {
- label indx = 0;
- for
- (
- Cloud<passiveParticle>::iterator elmnt = sprayPtr->begin();
- elmnt != sprayPtr->end();
- ++elmnt
- )
- {
- nodeid_array[indx] = indx + 1;
- indx++;
- }
- }
- else
- {
- return Z_ERR;
- }
-
-#ifdef ENSIGHTDEBUG
- Info << "Leaving: USERD_get_part_node_ids" << endl
- << flush;
-#endif
-
- return Z_OK;
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_reader_version.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_reader_version.H
deleted file mode 100644
index bbc5728..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_reader_version.H
+++ /dev/null
@@ -1,20 +0,0 @@
-int USERD_get_reader_version
-(
- char version_number[Z_MAX_USERD_NAME]
-)
-{
-
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_get_reader_version" << endl;
-#endif
-
- strncpy(version_number, readerVersion, Z_MAX_USERD_NAME);
-
-#ifdef ENSIGHTDEBUG
- Info << "Leaving: USERD_get_reader_version" << endl;
-#endif
-
- return Z_OK;
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_sol_times.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_sol_times.H
deleted file mode 100644
index 7f08902..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_sol_times.H
+++ /dev/null
@@ -1,46 +0,0 @@
-//======================================================================
-// Negative values of the time is not allowed in EnSight.
-// So for engines, where the time is CAD's we need to correct
-// this so that all CAD's are positive. NN
-//======================================================================
-int USERD_get_sol_times
-(
- int timeset_number,
- float *solution_times
-)
-{
-#ifdef ENSIGHTDEBUG
- Info<< "Entering: USERD_get_sol_times\n" << timeDirs << endl;
-#endif
-
- for (label n=0; n<Num_time_steps;n++)
- {
- solution_times[n] = timeDirs[n+1].value();
- }
-
- if (timeDirs[1].value() < 0)
- {
- scalar addCAD = 360.0;
- while (timeDirs[1].value() + addCAD < 0.0)
- {
- addCAD += 360.0;
- }
- for (label n=0; n<Num_time_steps;n++)
- {
- solution_times[n] += addCAD;
-
- Info << "Time[" << n << "] = " << timeDirs[n+1].value()
- << " was corrected to " << solution_times[n] << endl;
- }
-
- }
-
-#ifdef ENSIGHTDEBUG
- Info<< "Leaving: USERD_get_sol_times" << endl;
-#endif
-
- return Z_OK;
-}
-
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_timeset_description.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_timeset_description.H
deleted file mode 100644
index 2a30d52..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_timeset_description.H
+++ /dev/null
@@ -1,28 +0,0 @@
-int USERD_get_timeset_description
-(
- int timeset_number,
- char timeset_description[Z_BUFL]
-)
-{
-
-#ifdef ENSIGHTDEBUG
- Info<< "Entering: USERD_get_timeset_description" << endl;
-#endif
-
- if (timeDirs[1].value() < 0)
- {
- strncpy(timeset_description, "CAD", Z_BUFL);
- }
- else
- {
- strncpy(timeset_description, "seconds", Z_BUFL);
- }
-
-#ifdef ENSIGHTDEBUG
- Info<< "Leaving: USERD_get_timeset_description" << endl;
-#endif
-
- return Z_OK;
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_var_by_component.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_var_by_component.H
deleted file mode 100644
index 6fbcc10..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_var_by_component.H
+++ /dev/null
@@ -1,105 +0,0 @@
-int USERD_get_var_by_component
-(
- int which_variable,
- int which_part,
- int var_type,
- int which_type,
- int imag_data,
- int component,
- float *var_array
-)
-{
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_get_var_by_component" << endl
- << "which_variable = " << which_variable << endl
- << "which_part = " << which_part << endl
- << "var_type = " << var_type << endl
- << "which_type = " << which_type << endl
- << "component = " << component << endl
- << flush;
-#endif
-
- label nVar = which_variable - 1;
-
- Time& runTime = *runTimePtr;
-
- fvMesh& mesh = *meshPtr;
- const cellShapeList& cells = mesh.cellShapes();
-
- label nCells = cells.size();
-
- if (var_type == Z_SCALAR)
- {
- if (which_part == 1)
- {
-# include "getFieldScalar.H"
- }
- else if (which_part < nPatches+2)
- {
-# include "getPatchFieldScalar.H"
- }
- else if (which_part == nPatches+2)
- {
-# include "getLagrangianScalar.H"
- }
- else
- {
- return Z_ERR;
- }
- }
- else if (var_type == Z_VECTOR)
- {
- if (which_part == 1)
- {
-# include "getFieldVector.H"
- }
- else if (which_part < nPatches+2)
- {
-# include "getPatchFieldVector.H"
- }
- else if (which_part == nPatches+2)
- {
-# include "getLagrangianVector.H"
- }
- else
- {
- return Z_ERR;
- }
-
- }
- else if (var_type == Z_TENSOR9)
- {
- // all tensor are treated as asymmetric tensors here
-
- if (which_part == 1)
- {
-# include "getFieldTensor.H"
- }
- else if (which_part < nPatches+2)
- {
-# include "getPatchFieldTensor.H"
- }
- else if (which_part == nPatches+2)
- {
- return Z_UNDEF;
- }
- else
- {
- return Z_ERR;
- }
-
- }
- else
- {
- return Z_UNDEF;
- }
-
-#ifdef ENSIGHTDEBUG
- Info << "Leaving: USERD_get_var_by_component" << endl
- << flush;
-#endif
-
- return Z_OK;
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_var_value_at_specific.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_var_value_at_specific.H
deleted file mode 100644
index dfa3587..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_get_var_value_at_specific.H
+++ /dev/null
@@ -1,73 +0,0 @@
-//======================================================================
-int USERD_get_var_value_at_specific
-(
- int which_var,
- int which_node_or_elem,
- int which_part,
- int which_elem_type,
- int time_step,
- float values[3],
- int imag_data
-)
-{
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_get_var_value_at_specific" << endl
- << flush;
-#endif
- // Not sure if it is 0 or 1 based
-
- label nNode = which_node_or_elem;
- label nVar = which_var - 1;
-
- fvMesh& mesh = *meshPtr;
-
- if (nVar < Num_variables - nSprayVariables)
- {
- Time& runTime = *runTimePtr;
-
- IOobject fieldObject
- (
- fieldNames[var2field[nVar]],
- runTime.timeName(),
- mesh,
- IOobject::MUST_READ,
- IOobject::NO_WRITE
- );
-
- if (isScalar[nVar])
- {
- volScalarField scalarField(fieldObject,mesh);
- values[0] = scalarField[nNode];
- }
- else if (isVector[nVar])
- {
- volVectorField vectorField(fieldObject,mesh);
- values[0] = vectorField[nNode].x();
- values[1] = vectorField[nNode].y();
- values[2] = vectorField[nNode].z();
- }
- else
- {
- Info<< "ERROR in USERD_get_variable_value_at_specific. "
- << "No available variable???"
- << endl;
- return Z_ERR;
- }
- }
- else
- {
- Info<< "This functionality is not implemented yet."
- << endl;
- return Z_ERR;
- }
-
-
-#ifdef ENSIGHTDEBUG
- Info << "Leaving: USERD_get_var_value_at_specific" << endl
- << flush;
-#endif
- return Z_OK;
-}
-
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_load_matf_data.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_load_matf_data.H
deleted file mode 100644
index ed5117a..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_load_matf_data.H
+++ /dev/null
@@ -1,20 +0,0 @@
-
-int USERD_load_matf_data
-(
- int set_index,
- int part_id,
- int wtyp,
- int mat_type,
- int *ids_list,
- float *val_list
-)
-{
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_load_matf_data" << endl
- << flush;
-#endif
-
- return Z_ERR;
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_set_filenames.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_set_filenames.H
deleted file mode 100644
index 2099a66..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_set_filenames.H
+++ /dev/null
@@ -1,211 +0,0 @@
-//======================================================================
-// Setting filenames
-//======================================================================
-int USERD_set_filenames
-(
- char filename_1[],
- char filename_2[],
- char the_path[],
- int swapbytes
-)
-{
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_set_filenames" << endl << flush;
-#endif
-
- char tmp[100];
-
- label lRoot = strlen(the_path);
- label lCase = strlen(filename_1);
-
- bool cleared = false;
-
- while (!cleared)
- {
- lRoot = strlen(the_path);
- lCase = strlen(filename_1);
-
- // remove the last '/' from rootDir
- if (the_path[lRoot-1] == '/')
- {
- the_path[lRoot-1] = (char)NULL;
- }
- else
- {
- cleared = true;
- }
- }
-
- rootDir = the_path;
-
- // the path is pre-pended to filename_1
- // 1 is the 'Geometry' : 2 the 'Result' which is null here
- // since two_field is FALSE
- for (label i=0; i<lCase-lRoot;i++)
- {
- tmp[i] = filename_1[i+1+lRoot];
- }
- caseDir = tmp;
-
- if (!isDir(rootDir/caseDir))
- {
- Info<< rootDir/caseDir << " is not a valid directory."
- << endl;
- return Z_ERR;
- }
-
- // construct the global pointers to the database and mesh
-
- delete meshPtr;
- delete runTimePtr;
-
- runTimePtr = new Time
- (
- Time::controlDictName,
- rootDir,
- caseDir
- );
-
- Time& runTime = *runTimePtr;
-
- meshPtr = new fvMesh
- (
- IOobject
- (
- fvMesh::defaultRegion,
- runTime.timeName(),
- runTime
- )
- );
-
- // set the available number of time-steps
- timeDirs = Foam::Time::findTimes(rootDir/caseDir);
-
- Num_time_steps = timeDirs.size() - 1;
-
- nPatches = meshPtr->boundaryMesh().size();
-
- // set the number of fields and store their names
- // a valid field must exist for all time-steps
- runTime.setTime(timeDirs[timeDirs.size()-1], timeDirs.size()-1);
- IOobjectList objects(*meshPtr, runTime.timeName());
-
- fieldNames = objects.names();
-
- // because of the spray being a 'field' ...
- // get the availabe number of variables and
- // check for type (scalar/vector/tensor)
-
- label nVar = 0;
- wordList scalars = objects.names(scalarName);
-
- for (label n=0; n<fieldNames.size(); n++)
- {
- bool isitScalar = false;
- forAll(scalars,i)
- {
- if (fieldNames[n] == scalars[i])
- {
- isitScalar = true;
- var2field[nVar++] = n;
- }
- }
- isScalar[n] = isitScalar;
- }
-
- wordList vectors = objects.names(vectorName);
-
- for (label n=0; n<fieldNames.size(); n++)
- {
- bool isitVector = false;
- forAll(vectors,i)
- {
- if (fieldNames[n] == vectors[i])
- {
- isitVector = true;
- var2field[nVar++] = n;
- }
- }
- isVector[n] = isitVector;
- }
-
- wordList tensors = objects.names(tensorName);
-
- for (label n=0; n<fieldNames.size(); n++)
- {
- bool isitTensor = false;
- forAll(tensors,i)
- {
- if (fieldNames[n] == tensors[i])
- {
- isitTensor = true;
- var2field[nVar++] = n;
- }
- }
- isTensor[n] = isitTensor;
- }
-
- bool lagrangianNamesFound = false;
- label n = 0;
- while (!lagrangianNamesFound && n < Num_time_steps)
- {
- runTime.setTime(timeDirs[n+1], n+1);
-
- Cloud<passiveParticle> lagrangian(*meshPtr);
-
- n++;
- if (lagrangian.size())
- {
- lagrangianNamesFound = true;
- }
- }
-
- IOobject sprayHeader
- (
- "positions",
- runTime.timeName(),
- cloud::prefix,
- runTime,
- IOobject::NO_READ,
- IOobject::NO_WRITE,
- false
- );
-
- if (sprayHeader.headerOk())
- {
- Info << "[Found lagrangian]" << endl;
-
- delete sprayPtr;
-
- sprayPtr = new Cloud<passiveParticle>(*meshPtr);
-
- IOobjectList objects(*meshPtr, runTime.timeName(), cloud::prefix);
-
- lagrangianScalarNames =
- (const wordList&)objects.names(sprayScalarFieldName);
- lagrangianVectorNames =
- (const wordList&)objects.names(sprayVectorFieldName);
-
- isSpray[fieldNames.size()] = true;
-
- nSprayVariables += lagrangianScalarNames.size();
- nSprayVariables += lagrangianVectorNames.size();
-
- Num_unstructured_parts++;
- }
-
- Current_time_step = Num_time_steps;
- runTime.setTime(timeDirs[Current_time_step], Current_time_step);
-
- Num_variables = nVar + nSprayVariables;
- Numparts_available = Num_unstructured_parts + Num_structured_parts + nPatches;
-
-#ifdef ENSIGHTDEBUG
- Info << "Leaving: USERD_set_filenames" << endl << flush;
-#endif
-
- return Z_OK;
-}
-
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_set_server_number.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_set_server_number.H
deleted file mode 100644
index a801ea6..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_set_server_number.H
+++ /dev/null
@@ -1,14 +0,0 @@
-void USERD_set_server_number
-(
- int cur_serv,
- int tot_serv
-)
-{
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_set_server_number" << endl
- << flush;
-#endif
-
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_set_time_set_and_step.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_set_time_set_and_step.H
deleted file mode 100644
index 161b0b7..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_set_time_set_and_step.H
+++ /dev/null
@@ -1,59 +0,0 @@
-//======================================================================
-void USERD_set_time_set_and_step
-(
- int timeset_number,
- int time_step
-)
-{
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_set_time_set_and_step" << endl << flush;
-#endif
- // update the global pointers and variables
- // to the current time-step
-
- // at exit time_step < 0
- if (time_step >= 0)
- {
- Time& runTime = *runTimePtr;
- Current_time_step = time_step;
- // add 1, since the first timestep is 'constant'
-
- if (time_step == 0)
- {
- runTime.setTime
- (
- timeDirs[Current_time_step],
- Current_time_step
- );
- }
- else
- {
- runTime.setTime
- (
- timeDirs[Current_time_step + 1],
- Current_time_step + 1
- );
- }
-
- meshPtr->readUpdate();
-
- if (time_step == 0)
- {
- runTime.setTime
- (
- timeDirs[Current_time_step + 1],
- Current_time_step + 1
- );
- }
-
- if (Numparts_available > nPatches+1)
- {
- delete sprayPtr;
- sprayPtr = new Cloud<passiveParticle>(*meshPtr);
- }
- }
-}
-
-
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_size_matf_data.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_size_matf_data.H
deleted file mode 100644
index 667a93d..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_size_matf_data.H
+++ /dev/null
@@ -1,19 +0,0 @@
-
-int USERD_size_matf_data
-(
- int set_index,
- int part_id,
- int wtyp,
- int mat_type,
- int *matf_size
-)
-{
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_size_matf_data" << endl
- << flush;
-#endif
-
- return Z_ERR;
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_stop_part_building.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_stop_part_building.H
deleted file mode 100644
index 96c7b28..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_stop_part_building.H
+++ /dev/null
@@ -1,10 +0,0 @@
-// Not in use
-void USERD_stop_part_building(void)
-{
-#ifdef ENSIGHTDEBUG
- Info << "Entering: USERD_stop_part_building" << endl << flush;
-#endif
-
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_structured_data.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_structured_data.H
deleted file mode 100644
index 6c830b8..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/USERD_structured_data.H
+++ /dev/null
@@ -1,64 +0,0 @@
-int USERD_get_block_vector_values_by_component
-(
- int block_number,
- int which_vector,
- int which_component,
- float *vector_array
-)
-{
- return(Z_OK);
-}
-
-int USERD_get_block_coords_by_component
-(
- int block_number,
- int which_component,
- float *coord_array
-)
-{
- return(Z_OK);
-}
-
-
-int USERD_get_block_iblanking
-(
- int block_number,
- int *iblank_array
-)
-{
- return(Z_OK);
-}
-
-int USERD_get_block_scalar_values
-(
- int block_number,
- int which_scalar,
- float *scalar_array
-)
-{
- return(Z_OK);
-}
-int USERD_get_ghosts_in_model_flag( void )
-{
- return(Z_OK);
-}
-
-int USERD_get_ghosts_in_block_flag
-(
- int block_number
-)
-{
- return(Z_OK);
-}
-
-int USERD_get_block_ghost_flags
-(
- int block_number,
- int *ghost_flags
-)
-{
- return(Z_OK);
-}
-
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/files.cmake b/applications/utilities/postProcessing/graphics/ensightFoamReader/files.cmake
deleted file mode 100644
index 12ffc12..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/files.cmake
+++ /dev/null
@@ -1,35 +0,0 @@
-#-------------------------------------------------------------------------------
-# ______ _ ____ __ __
-# | ____| _| |_ / __ \ /\ | \/ |
-# | |__ _ __ ___ ___ / \| | | | / \ | \ / |
-# | __| '__/ _ \/ _ ( (| |) ) | | |/ /\ \ | |\/| |
-# | | | | | __/ __/\_ _/| |__| / ____ \| | | |
-# |_| |_| \___|\___| |_| \____/_/ \_\_| |_|
-#
-# FreeFOAM: The Cross-Platform CFD Toolkit
-#
-# Copyright (C) 2008-2012 Michael Wild <themiwi at users.sf.net>
-# Gerber van der Graaf <gerber_graaf at users.sf.net>
-#-------------------------------------------------------------------------------
-# License
-# This file is part of FreeFOAM.
-#
-# FreeFOAM is free software: you can redistribute it and/or modify it
-# under the terms of the GNU General Public License as published by the
-# Free Software Foundation, either version 3 of the License, or (at your
-# option) any later version.
-#
-# FreeFOAM is distributed in the hope that it will be useful, but WITHOUT
-# ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-# FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
-# for more details.
-#
-# You should have received a copy of the GNU General Public License
-# along with FreeFOAM. If not, see <http://www.gnu.org/licenses/>.
-#-------------------------------------------------------------------------------
-
-set(SRCS
- libuserd.C
- ${FORCE_LINK_GENERIC_PATCH_FIELDS})
-
-# ------------------------- vim: set sw=2 sts=2 et: --------------- end-of-file
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/getFieldScalar.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/getFieldScalar.H
deleted file mode 100644
index eb6876d..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/getFieldScalar.H
+++ /dev/null
@@ -1,143 +0,0 @@
-
-if (nVar >= Num_variables - nSprayVariables)
-{
- return Z_UNDEF;
-}
-
-IOobject fieldObjectPtr
-(
- fieldNames[var2field[nVar]],
- runTime.timeName(),
- mesh,
- IOobject::NO_READ
-);
-
-if (!fieldObjectPtr.headerOk())
-{
- return Z_UNDEF;
-}
-
-IOobject fieldObject
-(
- fieldNames[var2field[nVar]],
- runTime.timeName(),
- mesh,
- IOobject::MUST_READ,
- IOobject::NO_WRITE
-);
-
-volScalarField scalarField
-(
- fieldObject,
- mesh
-);
-
-const cellShapeList& cellShapes = meshPtr->cellShapes();
-
-// hexa's
-if (which_type == Z_HEX08)
-{
- const cellModel& hex = *(cellModeller::lookup("hex"));
- //const cellModel& wedge = *(cellModeller::lookup("wedge"));
-
- label counter = 1;
- for (label celli=0; celli<nCells; celli++)
- {
- const cellShape& cellShape = cellShapes[celli];
- const cellModel& cellModel = cellShape.model();
-
- if (cellModel == hex) // || (cellModel == wedge))
- {
- var_array[counter++] = scalarField[celli];
- }
- }
-}
-
-// penta's
-if (which_type == Z_PEN06)
-{
- const cellModel& prism = *(cellModeller::lookup("prism"));
-
- label counter = 1;
- for (label n=0; n<nCells; n++)
- {
- const cellShape& cellShape = cellShapes[n];
- const cellModel& cellModel = cellShape.model();
-
- if (cellModel == prism)
- {
- var_array[counter++] = scalarField[n];
- }
- }
-}
-
-// pyramids's
-if (which_type == Z_PYR05)
-{
- const cellModel& pyr = *(cellModeller::lookup("pyr"));
-
- label counter = 1;
- for (label n=0; n<nCells; n++)
- {
- const cellShape& cellShape = cellShapes[n];
- const cellModel& cellModel = cellShape.model();
-
- if (cellModel == pyr)
- {
- var_array[counter++] = scalarField[n];
- }
- }
-}
-
-// tet's
-if (which_type == Z_TET04)
-{
- const cellModel& tet = *(cellModeller::lookup("tet"));
-
- label counter = 1;
- for (label n=0; n<nCells; n++)
- {
- const cellShape& cellShape = cellShapes[n];
- const cellModel& cellModel = cellShape.model();
-
- if (cellModel == tet)
- {
- var_array[counter++] = scalarField[n];
- }
- }
-}
-
-if (which_type == Z_NFACED)
-{
- const cellList& cells = meshPtr->cells();
-
- label counter = 1;
- for (label n=0; n<nCells; n++)
- {
- const labelList& points = cellShapes[n];
- label nFacesInCell = cells[n].size();
-
- if ((nFacesInCell == 6) && (points.size() == 8))
- {}
- else if ((nFacesInCell == 4) && (points.size() == 4))
- {}
- else if (nFacesInCell == 5)
- {
- if (points.size() == 6)
- {}
- else if (points.size() == 5)
- {}
- else
- {
- var_array[counter++] = scalarField[n];
- }
- }
- else
- {
- var_array[counter++] = scalarField[n];
- }
- }
-
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/getFieldTensor.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/getFieldTensor.H
deleted file mode 100644
index 8c89da6..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/getFieldTensor.H
+++ /dev/null
@@ -1,144 +0,0 @@
-if (nVar >= Num_variables - nSprayVariables)
-{
- return Z_UNDEF;
-}
-
-
-IOobject fieldObjectPtr
-(
- fieldNames[var2field[nVar]],
- runTime.timeName(),
- mesh,
- IOobject::NO_READ
-);
-
-if (!fieldObjectPtr.headerOk())
-{
- return Z_UNDEF;
-}
-
-IOobject fieldObject
-(
- fieldNames[var2field[nVar]],
- runTime.timeName(),
- mesh,
- IOobject::MUST_READ,
- IOobject::NO_WRITE
-);
-
-volTensorField tf
-(
- fieldObject,
- mesh
-);
-
-const cellShapeList& cellShapes = meshPtr->cellShapes();
-
-// hexa's
-if (which_type == Z_HEX08)
-{
- const cellModel& hex = *(cellModeller::lookup("hex"));
- //const cellModel& wedge = *(cellModeller::lookup("wedge"));
-
- label counter = 1;
- for (label n=0; n<nCells; n++)
- {
- const cellShape& cellShape = cellShapes[n];
- const cellModel& cellModel = cellShape.model();
-
- if (cellModel == hex) // || (cellModel == wedge))
- {
-# include "tensorConversion.H"
- }
- }
-}
-
-// penta's
-if (which_type == Z_PEN06)
-{
- const cellModel& prism = *(cellModeller::lookup("prism"));
-
- label counter = 1;
- for (label n=0; n<nCells; n++)
- {
- const cellShape& cellShape = cellShapes[n];
- const cellModel& cellModel = cellShape.model();
-
- if (cellModel == prism)
- {
-# include "tensorConversion.H"
- }
- }
-}
-
-// pyramids's
-if (which_type == Z_PYR05)
-{
- const cellModel& pyr = *(cellModeller::lookup("pyr"));
-
- label counter = 1;
- for (label n=0; n<nCells; n++)
- {
- const cellShape& cellShape = cellShapes[n];
- const cellModel& cellModel = cellShape.model();
-
- if (cellModel == pyr)
- {
-# include "tensorConversion.H"
- }
- }
-}
-
-
-// penta's
-if (which_type == Z_TET04)
-{
- const cellModel& tet = *(cellModeller::lookup("tet"));
-
- label counter = 1;
-
- for (label n=0; n<nCells; n++)
- {
- const cellShape& cellShape = cellShapes[n];
- const cellModel& cellModel = cellShape.model();
-
- if (cellModel == tet)
- {
-# include "tensorConversion.H"
- }
- }
-}
-
-if (which_type == Z_NFACED)
-{
- const cellList& cells = meshPtr->cells();
-
- label counter = 1;
- for (label n=0; n<nCells; n++)
- {
- const labelList& points = cellShapes[n];
- label nFacesInCell = cells[n].size();
-
- if ((nFacesInCell == 6) && (points.size() == 8))
- {}
- else if ((nFacesInCell == 4) && (points.size() == 4))
- {}
- else if (nFacesInCell == 5)
- {
- if (points.size() == 6)
- {}
- else if (points.size() == 5)
- {}
- else
- {
-# include "tensorConversion.H"
- }
- }
- else
- {
-# include "tensorConversion.H"
- }
- }
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/getFieldVector.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/getFieldVector.H
deleted file mode 100644
index 86bb987..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/getFieldVector.H
+++ /dev/null
@@ -1,143 +0,0 @@
-if (nVar >= Num_variables - nSprayVariables)
-{
- return Z_UNDEF;
-}
-
-
-IOobject fieldObjectPtr
-(
- fieldNames[var2field[nVar]],
- runTime.timeName(),
- mesh,
- IOobject::NO_READ
-);
-
-if (!fieldObjectPtr.headerOk())
-{
- return Z_UNDEF;
-}
-
-IOobject fieldObject
-(
- fieldNames[var2field[nVar]],
- runTime.timeName(),
- mesh,
- IOobject::MUST_READ,
- IOobject::NO_WRITE
-);
-
-volVectorField vectorField
-(
- fieldObject,
- mesh
-);
-
-const cellShapeList& cellShapes = meshPtr->cellShapes();
-
-// hexa's
-if (which_type == Z_HEX08)
-{
- const cellModel& hex = *(cellModeller::lookup("hex"));
- //const cellModel& wedge = *(cellModeller::lookup("wedge"));
-
- label counter = 1;
- for (label n=0; n<nCells; n++)
- {
- const cellShape& cellShape = cellShapes[n];
- const cellModel& cellModel = cellShape.model();
-
- if (cellModel == hex) // || (cellModel == wedge))
- {
- var_array[counter++] = vectorField[n][component];
- }
- }
-}
-
-// penta's
-if (which_type == Z_PEN06)
-{
- const cellModel& prism = *(cellModeller::lookup("prism"));
-
- label counter = 1;
- for (label n=0; n<nCells; n++)
- {
- const cellShape& cellShape = cellShapes[n];
- const cellModel& cellModel = cellShape.model();
-
- if (cellModel == prism)
- {
- var_array[counter++] = vectorField[n][component];
- }
- }
-}
-
-// pyramids's
-if (which_type == Z_PYR05)
-{
- const cellModel& pyr = *(cellModeller::lookup("pyr"));
-
- label counter = 1;
- for (label n=0; n<nCells; n++)
- {
- const cellShape& cellShape = cellShapes[n];
- const cellModel& cellModel = cellShape.model();
-
- if (cellModel == pyr)
- {
- var_array[counter++] = vectorField[n][component];
- }
- }
-}
-
-
-// tet's
-if (which_type == Z_TET04)
-{
- const cellModel& tet = *(cellModeller::lookup("tet"));
-
- label counter = 1;
- for (label n=0; n<nCells; n++)
- {
- const cellShape& cellShape = cellShapes[n];
- const cellModel& cellModel = cellShape.model();
-
- if (cellModel == tet)
- {
- var_array[counter++] = vectorField[n][component];
- }
- }
-}
-
-if (which_type == Z_NFACED)
-{
- const cellList& cells = meshPtr->cells();
-
- label counter = 1;
- for (label n=0; n<nCells; n++)
- {
- const labelList& points = cellShapes[n];
- label nFacesInCell = cells[n].size();
-
- if ((nFacesInCell == 6) && (points.size() == 8))
- {}
- else if ((nFacesInCell == 4) && (points.size() == 4))
- {}
- else if (nFacesInCell == 5)
- {
- if (points.size() == 6)
- {}
- else if (points.size() == 5)
- {}
- else
- {
- var_array[counter++] = vectorField[n][component];
- }
- }
- else
- {
- var_array[counter++] = vectorField[n][component];
- }
- }
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/getLagrangianScalar.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/getLagrangianScalar.H
deleted file mode 100644
index c82a78a..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/getLagrangianScalar.H
+++ /dev/null
@@ -1,37 +0,0 @@
-
-// Not sure if this is necessary anymore
-nVar -= Num_variables - nSprayVariables;
-
-if (nVar >= 0)
-{
- word name = lagrangianScalarNames[nVar];
-
- IOField<scalar> s
- (
- IOobject
- (
- name,
- runTime.timeName(),
- cloud::prefix,
- mesh,
- IOobject::MUST_READ,
- IOobject::NO_WRITE
- )
- );
-
- if (s.size())
- {
- for (label n = 0; n < s.size(); n++)
- {
- var_array[n+1] = s[n];
- }
- }
-}
-else
-{
- // Info << "getLagrangianScalar: nVar = " << nVar << endl;
- return Z_UNDEF;
-}
-
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/getLagrangianVector.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/getLagrangianVector.H
deleted file mode 100644
index ddeff90..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/getLagrangianVector.H
+++ /dev/null
@@ -1,49 +0,0 @@
-
-// Not sure if this is necessary anymore
-
-nVar -= Num_variables - nSprayVariables + lagrangianScalarNames.size();
-
-if (nVar >= 0)
-{
- word name = lagrangianVectorNames[nVar];
-
- IOField<vector> v
- (
- IOobject
- (
- name,
- runTime.timeName(),
- cloud::prefix,
- mesh,
- IOobject::MUST_READ,
- IOobject::NO_WRITE
- )
- );
-
- if (v.size())
- {
- for (label n = 0; n < v.size(); n++)
- {
- if (component == 0)
- {
- var_array[n+1] = v[n].x();
- }
- else if (component == 1)
- {
- var_array[n+1] = v[n].y();
- }
- else if (component == 2)
- {
- var_array[n+1] = v[n].z();
- }
- }
- }
-}
-else
-{
- // Info<< "getLagrangianVector: nVar = " << nVar << endl;
- return Z_UNDEF;
-}
-
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/getPatchFieldScalar.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/getPatchFieldScalar.H
deleted file mode 100644
index 1a04285..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/getPatchFieldScalar.H
+++ /dev/null
@@ -1,78 +0,0 @@
-label patchi = which_part - 2;
-
-if (nVar >= Num_variables - nSprayVariables)
-{
- return Z_UNDEF;
-}
-
-IOobject fieldObjectPtr
-(
- fieldNames[var2field[nVar]],
- runTime.timeName(),
- mesh,
- IOobject::NO_READ
-);
-
-if (!fieldObjectPtr.headerOk())
-{
- return Z_UNDEF;
-}
-
-IOobject fieldObject
-(
- fieldNames[var2field[nVar]],
- runTime.timeName(),
- mesh,
- IOobject::MUST_READ,
- IOobject::NO_WRITE
-);
-
-volScalarField sf
-(
- fieldObject,
- mesh
-);
-
-const scalarField& sfb = sf.boundaryField()[patchi];
-const polyBoundaryMesh& bMesh = meshPtr->boundaryMesh();
-
-if (which_type == Z_TRI03)
-{
- label counter = 1;
- for (label facei=0; facei<sfb.size(); facei++)
- {
- label nPoints = bMesh[patchi][facei].size();
- if (nPoints == 3)
- {
- var_array[counter++] = sfb[facei];
- }
- }
-}
-
-if (which_type == Z_QUA04)
-{
- label counter = 1;
- for (label facei=0; facei<sfb.size(); facei++)
- {
- label nPoints = bMesh[patchi][facei].size();
- if (nPoints == 4)
- {
- var_array[counter++] = sfb[facei];
- }
- }
-}
-
-if (which_type == Z_NSIDED)
-{
- label counter = 1;
- for (label facei=0; facei<sfb.size(); facei++)
- {
- label nPoints = bMesh[patchi][facei].size();
- if ((nPoints != 3) && (nPoints != 4))
- {
- var_array[counter++] = sfb[facei];
- }
- }
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/getPatchFieldTensor.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/getPatchFieldTensor.H
deleted file mode 100644
index 6a7ff80..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/getPatchFieldTensor.H
+++ /dev/null
@@ -1,78 +0,0 @@
-label patchi = which_part - 2;
-
-if (nVar >= Num_variables - nSprayVariables)
-{
- return Z_UNDEF;
-}
-
-IOobject fieldObjectPtr
-(
- fieldNames[var2field[nVar]],
- runTime.timeName(),
- mesh,
- IOobject::NO_READ
-);
-
-if (!fieldObjectPtr.headerOk())
-{
- return Z_UNDEF;
-}
-
-IOobject fieldObject
-(
- fieldNames[var2field[nVar]],
- runTime.timeName(),
- mesh,
- IOobject::MUST_READ,
- IOobject::NO_WRITE
-);
-
-volTensorField sf
-(
- fieldObject,
- mesh
-);
-
-const tensorField& tf = sf.boundaryField()[patchi];
-const polyBoundaryMesh& bMesh = meshPtr->boundaryMesh();
-
-if (which_type == Z_TRI03)
-{
- label counter = 1;
- for (label n=0; n<tf.size(); n++)
- {
- label nPoints = bMesh[patchi][n].size();
- if (nPoints == 3)
- {
-# include "tensorConversion.H"
- }
- }
-}
-
-if (which_type == Z_QUA04)
-{
- label counter = 1;
- for (label n=0; n<tf.size(); n++)
- {
- label nPoints = bMesh[patchi][n].size();
- if (nPoints == 4)
- {
-# include "tensorConversion.H"
- }
- }
-}
-
-if (which_type == Z_NSIDED)
-{
- label counter = 1;
- for (label n=0; n<tf.size(); n++)
- {
- label nPoints = bMesh[patchi][n].size();
- if ((nPoints != 3) && (nPoints != 4))
- {
-# include "tensorConversion.H"
- }
- }
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/getPatchFieldVector.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/getPatchFieldVector.H
deleted file mode 100644
index e46273b..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/getPatchFieldVector.H
+++ /dev/null
@@ -1,78 +0,0 @@
-label patchi = which_part - 2;
-
-if (nVar >= Num_variables - nSprayVariables)
-{
- return Z_UNDEF;
-}
-
-IOobject fieldObjectPtr
-(
- fieldNames[var2field[nVar]],
- runTime.timeName(),
- mesh,
- IOobject::NO_READ
-);
-
-if (!fieldObjectPtr.headerOk())
-{
- return Z_UNDEF;
-}
-
-IOobject fieldObject
-(
- fieldNames[var2field[nVar]],
- runTime.timeName(),
- mesh,
- IOobject::MUST_READ,
- IOobject::NO_WRITE
-);
-
-volVectorField sf
-(
- fieldObject,
- mesh
-);
-
-const vectorField& sfb = sf.boundaryField()[patchi];
-const polyBoundaryMesh& bMesh = meshPtr->boundaryMesh();
-
-if (which_type == Z_TRI03)
-{
- label counter = 1;
- for (label facei=0; facei<sfb.size(); facei++)
- {
- label nPoints = bMesh[patchi][facei].size();
- if (nPoints == 3)
- {
- var_array[counter++] = sfb[facei][component];
- }
- }
-}
-
-if (which_type == Z_QUA04)
-{
- label counter = 1;
- for (label facei=0; facei<sfb.size(); facei++)
- {
- label nPoints = bMesh[patchi][facei].size();
- if (nPoints == 4)
- {
- var_array[counter++] = sfb[facei][component];
- }
- }
-}
-
-if (which_type == Z_NSIDED)
-{
- label counter = 1;
- for (label facei=0; facei<sfb.size(); facei++)
- {
- label nPoints = bMesh[patchi][facei].size();
- if ((nPoints != 3) && (nPoints != 4))
- {
- var_array[counter++] = sfb[facei][component];
- }
- }
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/globalFoam.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/globalFoam.H
deleted file mode 100644
index e41af4b..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/globalFoam.H
+++ /dev/null
@@ -1,55 +0,0 @@
-//======================================================================
-// Global variables
-const int maxNames = 1000;
-
-// define the name to be displayed in the window.
-static char readerName[] = "OpenFOAM";
-static char meshName[] = "cells";
-static char readerVersion[] = "2.03";
-
-// everything is one part in foam, except the spray
-static int Num_unstructured_parts = 1;
-static int Num_structured_parts = 0;
-static int Numparts_available = 1;
-static int nPatches = 0;
-
-static int Num_timesets = 1;
-static int Geom_timeset_number = 1;
-static int Num_time_steps = 1;
-static int Num_global_nodes = 0;
-static int Num_variables = 0;
-static int Num_dataset_files = 0;
-static int Current_time_step = 0;
-
-static label nSprayVariables = 0;
-static label nMaxParcels = 0;
-
-static bool isScalar[maxNames];
-static bool isVector[maxNames];
-static bool isTensor[maxNames];
-static bool isSpray[maxNames];
-
-static word scalarName = "volScalarField";
-static word vectorName = "volVectorField";
-static word tensorName = "volTensorField";
-static word sprayScalarFieldName = "scalarField";
-static word sprayVectorFieldName = "vectorField";
-static word sprayTensorFieldName = "tensorField";
-static word parcelPrepend = "parcel_";
-static word pointPrepend = "point_";
-
-static fileName rootDir;
-static fileName caseDir;
-
-static instantList timeDirs;
-
-static List<word> fieldNames;
-static List<word> lagrangianScalarNames;
-static List<word> lagrangianVectorNames;
-static label var2field[maxNames];
-
-static Time *runTimePtr = 0;
-static fvMesh *meshPtr = 0;
-static Cloud<passiveParticle> *sprayPtr = 0;
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/global_extern.h b/applications/utilities/postProcessing/graphics/ensightFoamReader/global_extern.h
deleted file mode 100644
index a6e3eae..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/global_extern.h
+++ /dev/null
@@ -1,283 +0,0 @@
-/*--------------------------------------------------------------*/
-/* Header file for EnSight External Reader DSO Library Routines */
-/*--------------------------------------------------------------*/
-/* *************************************************************
- * Copyright 1998 Computational Engineering International, Inc.
- * All Rights Reserved.
- *
- * Restricted Rights Legend
- *
- * Use, duplication, or disclosure of this
- * software and its documentation by the
- * Government is subject to restrictions as
- * set forth in subdivision [(b)(3)(ii)] of
- * the Rights in Technical Data and Computer
- * Software clause at 52.227-7013.
- * *************************************************************
- */
-#ifndef GLOBAL_EXTERN_H
-#define GLOBAL_EXTERN_H
-
-/*--------------------------------
- * Set the reader version define
- * (only one can be set at a time)
- *--------------------------------*/
-#define USERD_API_203
-
-/*----------------------------------------
- * Set this appropriately:
- * DO_ENSIGHT if using for EnSight itself
- * DO_READER if using in a reader
- *----------------------------------------*/
-#if 1
-#define DO_READER
-#else
-#define DO_ENSIGHT
-#endif
-
-/*---------------------------------------*/
-/* True/False and Error conditions, etc. */
-/*---------------------------------------*/
-#define Z_ERR (-1) /*Error return value.*/
-#define Z_OK (1) /*Success return value.*/
-#define Z_UNDEF (2) /*Undefined return value.*/
-
-#define Z_NOT_IMPLEMENTED (3) /*Routine not implemented*/
- /*(currently only checked for */
- /* get_var_value_at_specific routine)*/
-#ifndef TRUE
-# define TRUE (1)
-# define FALSE (0)
-#endif
-
-#define Z_BUFL (80) /* Typical string length */
-
-#define Z_COMPX (0) /* x component */
-#define Z_COMPY (1) /* y component */
-#define Z_COMPZ (2) /* z component */
-
-#define Z_STATIC (0) /* static geometry */
-#define Z_CHANGE_COORDS (1) /* coordinate changing only */
-#define Z_CHANGE_CONN (2) /* conectivity changing */
-
-#define Z_GEOM (0) /* Geometry type */
-#define Z_VARI (1) /* Variable type */
-
-#define Z_SAVE_ARCHIVE (0) /* Save archive */
-#define Z_REST_ARCHIVE (1) /* Restore archive */
-
-#define Z_MAX_USERD_NAME (20) /* max length of reader name */
-
-#define Z_PER_NODE (4) /* At Nodes Variable classif. */
-#define Z_PER_ELEM (1) /* At Elements Variable classif.*/
-
-#define Z_MAX_SETS (300)
-
-#ifndef GLOBALDEFS_H
-/*-----------------------------------*/
-/* Unstructured coordinate structure */
-/*-----------------------------------*/
-typedef struct {
- float xyz[3];
-}CRD;
-#endif
-
-/*----------------*/
-/* Variable Types */
-/*----------------*/
-enum z_var_type
-{
- Z_CONSTANT,
- Z_SCALAR,
- Z_VECTOR,
- Z_TENSOR,
- Z_TENSOR9,
- MAX_Z_VAR_TYPES
-};
-
-/*---------------
- * Element Types
- *---------------
- * If you mess with these, you must also
- * change the get_z_maxtype
- * to_z_elem_type
- * to_int_elem_type routines
- * in userd_read.c
- *----------------------------------------*/
-#if (defined USERD_API_100 || defined USERD_API_200) && defined DO_READER
-enum z_elem_types {
- Z_POINT, /* 00: 1 node point element */
- Z_BAR02, /* 01: 2 node bar */
- Z_BAR03, /* 02: 3 node bar */
- Z_TRI03, /* 03: 3 node triangle */
- Z_TRI06, /* 04: 6 node triangle */
- Z_QUA04, /* 05: 4 node quad */
- Z_QUA08, /* 06: 8 node quad */
- Z_TET04, /* 07: 4 node tetrahedron */
- Z_TET10, /* 08: 10 node tetrahedron */
- Z_PYR05, /* 09: 5 node pyramid */
- Z_PYR13, /* 10: 13 node pyramid */
- Z_PEN06, /* 11: 6 node pentahedron */
- Z_PEN15, /* 12: 15 node pentahedron */
- Z_HEX08, /* 13: 8 node hexahedron */
- Z_HEX20, /* 14: 20 node hexahedron */
- Z_MAXTYPE
-};
-
-#elif defined USERD_API_201 && defined DO_READER
-enum z_elem_types {
- Z_POINT, /* 00: 1 node point element */
- Z_G_POINT, /* 01: 1 node point element (ghost call) */
- Z_BAR02, /* 02: 2 node bar */
- Z_G_BAR02, /* 03: 2 node bar (ghost cell) */
- Z_BAR03, /* 04: 3 node bar */
- Z_G_BAR03, /* 05: 3 node bar (ghost cell) */
- Z_TRI03, /* 06: 3 node triangle */
- Z_G_TRI03, /* 07: 3 node triangle (ghost cell) */
- Z_TRI06, /* 08: 6 node triangle */
- Z_G_TRI06, /* 09: 6 node triangle (ghost cell) */
- Z_QUA04, /* 10: 4 node quad */
- Z_G_QUA04, /* 11: 4 node quad (ghost cell) */
- Z_QUA08, /* 12: 8 node quad */
- Z_G_QUA08, /* 13: 8 node quad (ghost cell) */
- Z_TET04, /* 14: 4 node tetrahedron */
- Z_G_TET04, /* 15: 4 node tetrahedron (ghost cell) */
- Z_TET10, /* 16: 10 node tetrahedron */
- Z_G_TET10, /* 17: 10 node tetrahedron (ghost cell) */
- Z_PYR05, /* 18: 5 node pyramid */
- Z_G_PYR05, /* 19: 5 node pyramid (ghost cell) */
- Z_PYR13, /* 20: 13 node pyramid */
- Z_G_PYR13, /* 21: 13 node pyramid (ghost cell) */
- Z_PEN06, /* 22: 6 node pentahedron */
- Z_G_PEN06, /* 23: 6 node pentahedron (ghost cell) */
- Z_PEN15, /* 24: 15 node pentahedron */
- Z_G_PEN15, /* 25: 15 node pentahedron (ghost cell) */
- Z_HEX08, /* 26: 8 node hexahedron */
- Z_G_HEX08, /* 27: 8 node hexahedron (ghost cell) */
- Z_HEX20, /* 28: 20 node hexahedron */
- Z_G_HEX20, /* 29: 20 node hexahedron (ghost cell) */
- Z_MAXTYPE
-};
-
-#else
-enum z_elem_types {
- Z_POINT, /* 00: 1 node point element */
- Z_G_POINT, /* 01: 1 node point element (ghost call) */
- Z_BAR02, /* 02: 2 node bar */
- Z_G_BAR02, /* 03: 2 node bar (ghost cell) */
- Z_BAR03, /* 04: 3 node bar */
- Z_G_BAR03, /* 05: 3 node bar (ghost cell) */
- Z_TRI03, /* 06: 3 node triangle */
- Z_G_TRI03, /* 07: 3 node triangle (ghost cell) */
- Z_TRI06, /* 08: 6 node triangle */
- Z_G_TRI06, /* 09: 6 node triangle (ghost cell) */
- Z_QUA04, /* 10: 4 node quad */
- Z_G_QUA04, /* 11: 4 node quad (ghost cell) */
- Z_QUA08, /* 12: 8 node quad */
- Z_G_QUA08, /* 13: 8 node quad (ghost cell) */
- Z_TET04, /* 14: 4 node tetrahedron */
- Z_G_TET04, /* 15: 4 node tetrahedron (ghost cell) */
- Z_TET10, /* 16: 10 node tetrahedron */
- Z_G_TET10, /* 17: 10 node tetrahedron (ghost cell) */
- Z_PYR05, /* 18: 5 node pyramid */
- Z_G_PYR05, /* 19: 5 node pyramid (ghost cell) */
- Z_PYR13, /* 20: 13 node pyramid */
- Z_G_PYR13, /* 21: 13 node pyramid (ghost cell) */
- Z_PEN06, /* 22: 6 node pentahedron */
- Z_G_PEN06, /* 23: 6 node pentahedron (ghost cell) */
- Z_PEN15, /* 24: 15 node pentahedron */
- Z_G_PEN15, /* 25: 15 node pentahedron (ghost cell) */
- Z_HEX08, /* 26: 8 node hexahedron */
- Z_G_HEX08, /* 27: 8 node hexahedron (ghost cell) */
- Z_HEX20, /* 28: 20 node hexahedron */
- Z_G_HEX20, /* 29: 20 node hexahedron (ghost cell) */
- Z_NSIDED, /* 30: n node polygon */
- Z_G_NSIDED, /* 31: n node polygon (ghost cell) */
- Z_NFACED, /* 32: n faced polyhedron */
- Z_G_NFACED, /* 33: n faced polyhedron (ghost cell) */
- Z_MAXTYPE
-};
-
-#endif
-
-enum z_node_ids_opt
-{
- Z_NO_NODE_IDS,
- Z_ASSIGN_NODE_IDS,
- Z_GIVEN_NODE_IDS
-};
-
-enum z_element_ids_opt
-{
- Z_NO_ELEMENT_IDS,
- Z_ASSIGN_ELEMENT_IDS,
- Z_GIVEN_ELEMENT_IDS
-};
-
-
-/*-------------------------------*/
-/* Unstructured/Structured types */
-/*-------------------------------*/
-enum z_structured_defs
-{
- Z_UNSTRUCTURED, /* for unstructured part */
- Z_STRUCTURED, /* for structured (non-iblanked) part */
- Z_IBLANKED, /* for structured iblanked part */
- Z_MAXMESHTYPES
-};
-
-/*----------------------------*/
-/* Structured Iblanking types */
-/*----------------------------*/
-enum z_iblank_domain
-{
- Z_EXT, /* Exterior */
- Z_INT, /* Interior */
- Z_BND, /* Boundary */
- Z_INTBND, /* Internal boundary/baffle */
- Z_SYM, /* Symmetry surface */
- Z_NO_OF_IBLANK_DOMAIN_ITEMS
-};
-
-
-/*-----------------------------------*/
-/* Dataset Query file info Structure */
-/*-----------------------------------*/
-#define Z_MAXFILENP 255 /* Max file name and path.*/
-#define Z_MAXTIMLEN 40 /* Max time str length */
-#define Z_BUFLEN 82 /* Allocated length of the f_desc strings */
-typedef struct {
- char name[Z_MAXFILENP];
- long sizeb;
- char timemod[Z_MAXTIMLEN];
- int num_d_lines;
- char **f_desc;
-} Z_QFILES;
-
-/*-------------------------------------------
- * Mixed Material enum
- *
- * (Must be comparable to material_file_index
- * in mat_defs.h of EnSight server)
- *--------------------------------------------*/
-enum z_material_file_index
-{
- Z_MAT_INDEX,
- Z_MIX_INDEX,
- Z_MIX_VALUE,
- Z_NUM_MAT_FILES
-};
-
-
-/*----------------------------------------------------------
- * For readers, we need to include the prototype header file
- *----------------------------------------------------------*/
-#if defined DO_READER
-#include "global_extern_proto.h"
-#endif
-
-/*--------------------------------------------------------------------*/
-#endif /*GLOBAL_EXTERN_H*/
-
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/global_extern_proto.h b/applications/utilities/postProcessing/graphics/ensightFoamReader/global_extern_proto.h
deleted file mode 100644
index 9f9bdbf..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/global_extern_proto.h
+++ /dev/null
@@ -1,384 +0,0 @@
-/*--------------------------------------------------------------*/
-/* Prototype Header file for EnSight External Reader */
-/* DSO Library Routines */
-/* */
-/* intended to be included from global_extern.h only */
-/*--------------------------------------------------------------*/
-/* *************************************************************
- * Copyright 1998 Computational Engineering International, Inc.
- * All Rights Reserved.
- *
- * Restricted Rights Legend
- *
- * Use, duplication, or disclosure of this
- * software and its documentation by the
- * Government is subject to restrictions as
- * set forth in subdivision [(b)(3)(ii)] of
- * the Rights in Technical Data and Computer
- * Software clause at 52.227-7013.
- * *************************************************************
- */
-#ifndef GLOBAL_EXTERN_PROTO_H
-#define GLOBAL_EXTERN_PROTO_H
-
-#ifdef WIN32
-#define W32IMPORT __declspec( dllimport )
-#define W32EXPORT __declspec( dllexport )
-#else
-#define W32IMPORT extern
-#define W32EXPORT extern
-#endif
-
-/*----------------------
- * Same in All Versions
- *----------------------*/
-W32IMPORT int
-USERD_get_number_of_model_parts( void );
-
-W32IMPORT int
-USERD_get_block_coords_by_component(int block_number,
- int which_component,
- float *coord_array);
-
-W32IMPORT int
-USERD_get_block_iblanking(int block_number,
- int *iblank_array);
-
-W32IMPORT int
-USERD_get_block_scalar_values(int block_number,
- int which_scalar,
- float *scalar_array);
-
-W32IMPORT int
-USERD_get_block_vector_values_by_component(int block_number,
- int which_vector,
- int which_component,
- float *vector_array);
-
-W32IMPORT int
-USERD_get_name_of_reader(char reader_name[Z_MAX_USERD_NAME],
- int *two_fields);
-
-W32IMPORT int
-USERD_get_reader_descrip(char descrip[Z_MAXFILENP]);
-
-W32IMPORT int
-USERD_set_filenames(char filename_1[],
- char filename_2[],
- char the_path[],
- int swapbytes);
-
-W32IMPORT int
-USERD_get_number_of_files_in_dataset( void );
-
-W32IMPORT int
-USERD_get_dataset_query_file_info(Z_QFILES *qfiles);
-
-W32IMPORT int
-USERD_get_changing_geometry_status( void );
-
-W32IMPORT int
-USERD_get_node_label_status( void );
-
-W32IMPORT int
-USERD_get_element_label_status( void );
-
-W32IMPORT int
-USERD_get_number_of_variables( void );
-
-W32IMPORT void
-USERD_stop_part_building( void );
-
-W32IMPORT int
-USERD_bkup(FILE *archive_file,
- int backup_type);
-
-
-
-/*-----------------------
- * For Version 1.000 Only
- *-----------------------*/
-#if defined USERD_API_100
-
-W32IMPORT int
-USERD_get_number_of_global_nodes( void );
-
-W32IMPORT int
-USERD_get_global_coords(CRD *coord_array);
-
-W32IMPORT int
-USERD_get_global_node_ids(int *nodeid_array);
-
-W32IMPORT int
-USERD_get_element_connectivities_for_part(int part_number,
- int **conn_array[Z_MAXTYPE]);
-
-W32IMPORT int
-USERD_get_element_ids_for_part(int part_number,
- int *elemid_array[Z_MAXTYPE]);
-
-W32IMPORT int
-USERD_get_vector_values(int which_vector,
- int which_part,
- int which_type,
- float *vector_array);
-
-W32IMPORT int
-USERD_get_part_build_info(int *part_id,
- int *part_types,
- char *part_descriptions[Z_BUFL],
- int *number_of_elements[Z_MAXTYPE],
- int *ijk_dimensions[3],
- int *iblanking_options[6]);
-
-W32IMPORT int
-USERD_get_scalar_values(int which_scalar,
- int which_part,
- int which_type,
- float *scalar_array);
-
-W32IMPORT int
-USERD_get_variable_info(char **var_description,
- char **var_filename,
- int *var_type,
- int *var_classify);
-
-W32IMPORT int
-USERD_get_description_lines(int which_type,
- int which_var,
- char line1[Z_BUFL],
- char line2[Z_BUFL]);
-
-W32IMPORT int
-USERD_get_variable_value_at_specific(int which_var,
- int which_node_or_elem,
- int which_part,
- int which_elem_type,
- int time_step,
- float values[3]);
-
-W32IMPORT float
-USERD_get_constant_value(int which_var);
-
-W32IMPORT int
-USERD_get_solution_times(float *solution_times);
-W32IMPORT void
-USERD_set_time_step(int time_step);
-
-W32IMPORT int
-USERD_get_number_of_time_steps(void);
-
-#endif
-
-
-/*----------------------
- * New For Version 2.000
- *----------------------*/
-#if !defined USERD_API_100
-
-W32IMPORT int
-USERD_get_part_coords(int part_number,
- float **coord_array);
-
-W32IMPORT int
-USERD_get_part_node_ids(int part_number,
- int *nodeid_array);
-
-W32IMPORT int
-USERD_get_part_elements_by_type(int part_number,
- int element_type,
- int **conn_array);
-W32IMPORT int
-USERD_get_part_element_ids_by_type(int part_number,
- int element_type,
- int *elemid_array);
-
-W32IMPORT int
-USERD_get_reader_version(char version_number[Z_MAX_USERD_NAME]);
-
-W32IMPORT int
-USERD_get_reader_release(char version_number[Z_MAX_USERD_NAME]);
-
-W32IMPORT int
-USERD_get_var_by_component(int which_variable,
- int which_part,
- int var_type,
- int which_type,
- int complex,
- int component,
- float *var_array);
-
-W32IMPORT int
-USERD_get_maxsize_info(int *max_number_of_nodes,
- int *max_number_of_elements[Z_MAXTYPE],
- int *max_ijk_dimensions[3]);
-
-W32IMPORT void
-USERD_exit_routine( void );
-
-W32IMPORT int
-USERD_get_gold_variable_info(char **var_description,
- char **var_filename,
- int *var_type,
- int *var_classify,
- int *var_complex,
- char **var_ifilename,
- float *var_freq,
- int *var_contran,
- int *var_timeset);
-W32IMPORT int
-USERD_get_model_extents( float extents[6] );
-
-W32IMPORT int
-USERD_get_descrip_lines(int which_type,
- int which_var,
- int imag_data,
- char line1[Z_BUFL],
- char line2[Z_BUFL]);
-
-W32IMPORT int
-USERD_get_var_value_at_specific(int which_var,
- int which_node_or_elem,
- int which_part,
- int which_elem_type,
- int time_step,
- float values[3],
- int imag_data);
-
-W32IMPORT float
-USERD_get_constant_val(int which_var, int imag_data);
-
-W32IMPORT int
-USERD_get_geom_timeset_number(void);
-
-W32IMPORT int
-USERD_get_number_of_timesets(void);
-
-W32IMPORT int
-USERD_get_timeset_description(int timeset_number,
- char timeset_description[Z_BUFL]);
-
-W32IMPORT int
-USERD_get_sol_times(int timeset_number,
- float *solution_times);
-W32IMPORT void
-USERD_set_time_set_and_step(int timeset_number,
- int time_step);
-W32IMPORT int
-USERD_get_num_of_time_steps(int timeset_number);
-
-W32IMPORT int
-USERD_get_border_availability(int part_number,
- int number_of_elements[Z_MAXTYPE]);
-
-W32IMPORT int
-USERD_get_border_elements_by_type(int part_number,
- int element_type,
- int **conn_array,
- short *parent_element_type,
- int *parent_element_num);
-
-W32IMPORT void
-USERD_set_server_number(int serv_num,
- int tot_servs);
-
-#endif
-
-
-/*----------------------
- * New For Version 2.010
- *----------------------*/
-#if defined USERD_API_201 || defined USERD_API_202 || defined USERD_API_203
-W32IMPORT int
-USERD_get_ghosts_in_model_flag( void );
-
-W32IMPORT int
-USERD_get_ghosts_in_block_flag(int block_number);
-
-W32IMPORT int
-USERD_get_block_ghost_flags(int block_number,
- int *ghost_flags);
-#endif
-
-/*--------------------------
- * Modified at Version 2.030
- *--------------------------*/
-#if defined USERD_API_201 || defined USERD_API_202
-
-W32IMPORT int
-USERD_get_gold_part_build_info(int *part_id,
- int *part_types,
- char *part_descriptions[Z_BUFL],
- int *number_of_nodes,
- int *number_of_elements[Z_MAXTYPE],
- int *ijk_dimensions[3],
- int *iblanking_options[6]);
-#endif
-
-#if defined USERD_API_203
-W32IMPORT int
-USERD_get_gold_part_build_info(int *part_id,
- int *part_types,
- char *part_descriptions[Z_BUFL],
- int *number_of_nodes,
- int *number_of_elements[Z_MAXTYPE],
- int *ijk_dimensions[9],
- int *iblanking_options[6]);
-#endif
-
-
-/*----------------------
- * New For Version 2.030
- *----------------------*/
-#if defined USERD_API_203
-W32IMPORT int
-USERD_get_number_of_material_sets( void );
-
-W32IMPORT int
-USERD_get_matf_set_info(int *mat_set_ids,
- char **mat_set_name);
-
-W32IMPORT int
-USERD_get_number_of_materials( int set_index );
-
-W32IMPORT int
-USERD_get_matf_var_info(int set_index,
- int *mat_ids,
- char **mat_desc);
-
-W32IMPORT int
-USERD_size_matf_data(int set_index,
- int part_id,
- int wtyp,
- int mat_type,
- int *matf_size );
-
-W32IMPORT int
-USERD_load_matf_data( int set_index,
- int part_id,
- int wtyp,
- int mat_type,
- int *ids_list,
- float *val_list );
-
-W32IMPORT int
-USERD_get_nsided_conn( int part_number,
- int *nsided_conn_array );
-
-W32IMPORT int
-USERD_get_nfaced_nodes_per_face( int part_number,
- int *nfaced_npf_array );
-
-W32IMPORT int
-USERD_get_nfaced_conn( int part_number,
- int *nfaced_conn_array );
-
-
-#endif
-
-
-/*--------------------------------------------------------------------*/
-#endif /*GLOBAL_EXTERN_PROTO_H*/
-
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/libuserd.C b/applications/utilities/postProcessing/graphics/ensightFoamReader/libuserd.C
deleted file mode 100644
index 89d6602..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/libuserd.C
+++ /dev/null
@@ -1,140 +0,0 @@
-/*---------------------------------------------------------------------------*\
- ========= |
- \\ / F ield | OpenFOAM: The Open Source CFD Toolbox
- \\ / O peration |
- \\ / A nd | Copyright (C) 1991-2010 OpenCFD Ltd.
- \\/ M anipulation |
--------------------------------------------------------------------------------
-License
- This file is part of OpenFOAM.
-
- OpenFOAM is free software: you can redistribute it and/or modify it
- under the terms of the GNU General Public License as published by
- the Free Software Foundation, either version 3 of the License, or
- (at your option) any later version.
-
- OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
- ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
- FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
- for more details.
-
- You should have received a copy of the GNU General Public License
- along with OpenFOAM. If not, see <http://www.gnu.org/licenses/>.
-
-Application
- libuserd-foam
-
-Description
- EnSight library module to read OpenFOAM data directly without translation
-
- It can currently handle most cell types.
-
- See also: README_USERD_2.0
- 24 Sep 2001: NN - Added support for Ensight API 2.0
- 02 Sep 2002: NN - Added support for ghost cells
- 14 Mar 2004: NN - Added patches to the parts
-
-\*---------------------------------------------------------------------------*/
-
-#include <stdio.h>
-
-#include <finiteVolume/fvCFD.H>
-#include <OpenFOAM/IOobjectList.H>
-#include <lagrangian/Cloud.H>
-#include <lagrangian/passiveParticle.H>
-#include <finiteVolume/fvMesh.H>
-#include <OpenFOAM/cellModeller.H>
-#include "globalFoam.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-extern "C"
-{
-
-#include "global_extern.h"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-// same API as in 1.0
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#include "USERD_bkup.H"
-#include "USERD_get_name_of_reader.H"
-#include "USERD_set_filenames.H"
-#include "USERD_get_number_of_model_parts.H"
-#include "USERD_get_changing_geometry_status.H"
-#include "USERD_get_dataset_query_file_info.H"
-#include "USERD_get_element_label_status.H"
-#include "USERD_get_node_label_status.H"
-#include "USERD_get_number_of_files_in_dataset.H"
-#include "USERD_get_number_of_variables.H"
-#include "USERD_stop_part_building.H"
-
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-// slightly changed with 2.0 from 1.0
-// (to handle complex variables - not used by FOAM anyway)
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#include "USERD_get_constant_val.H"
-#include "USERD_get_descrip_lines.H"
-#include "USERD_get_var_value_at_specific.H"
-#include "USERD_get_gold_variable_info.H"
-
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-// critical changes with 2.0 from 1.0
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#include "USERD_get_gold_part_build_info.H"
-#include "USERD_get_num_of_time_steps.H"
-#include "USERD_get_sol_times.H"
-#include "USERD_set_time_set_and_step.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-// new additions with 2.0 from 1.0
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#include "USERD_get_var_by_component.H"
-#include "USERD_get_part_coords.H"
-#include "USERD_get_part_node_ids.H"
-#include "USERD_get_part_elements_by_type.H"
-#include "USERD_get_part_element_ids_by_type.H"
-
-#include "USERD_exit_routine.H"
-#include "USERD_get_model_extents.H"
-#include "USERD_get_reader_version.H"
-#include "USERD_get_number_timesets.H"
-#include "USERD_get_timeset_description.H"
-#include "USERD_get_geom_timeset_number.H"
-
-#include "USERD_get_border_availability.H"
-#include "USERD_get_border_elements_by_type.H"
-
-#include "USERD_get_maxsize_info.H"
-#include "USERD_set_server_number.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-// new additions with 2.03 from 2.02
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#include "USERD_get_number_of_material_sets.H"
-#include "USERD_get_matf_set_info.H"
-#include "USERD_get_number_of_materials.H"
-#include "USERD_get_matf_var_info.H"
-#include "USERD_size_matf_data.H"
-#include "USERD_load_matf_data.H"
-#include "USERD_get_nsided_conn.H"
-#include "USERD_get_nfaced_nodes_per_face.H"
-#include "USERD_get_nfaced_conn.H"
-
-//**********************************************************************
-//======================================================================
-// STRUCTURED DATA STUFF - not used in foam
-//======================================================================
-//**********************************************************************
-
-#include "USERD_structured_data.H"
-
-}
-
-// ************************************************************************ //
diff --git a/applications/utilities/postProcessing/graphics/ensightFoamReader/tensorConversion.H b/applications/utilities/postProcessing/graphics/ensightFoamReader/tensorConversion.H
deleted file mode 100644
index 5f7331b..0000000
--- a/applications/utilities/postProcessing/graphics/ensightFoamReader/tensorConversion.H
+++ /dev/null
@@ -1,38 +0,0 @@
-if (component == 0)
-{
- var_array[counter++] = tf[n].xx();
-}
-else if (component == 1)
-{
- var_array[counter++] = tf[n].yy();
-}
-else if (component == 2)
-{
- var_array[counter++] = tf[n].zz();
-}
-else if (component == 3)
-{
- var_array[counter++] = tf[n].xy();
-}
-else if (component == 4)
-{
- var_array[counter++] = tf[n].xz();
-}
-else if (component == 5)
-{
- var_array[counter++] = tf[n].yz();
-}
-else if (component == 6)
-{
- var_array[counter++] = tf[n].yx();
-}
-else if (component == 7)
-{
- var_array[counter++] = tf[n].zx();
-}
-else if (component == 8)
-{
- var_array[counter++] = tf[n].zy();
-}
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/surface/surfaceCoarsen/bunnylod/rabdata.C b/applications/utilities/surface/surfaceCoarsen/bunnylod/rabdata.C
deleted file mode 100644
index c86f5c1..0000000
--- a/applications/utilities/surface/surfaceCoarsen/bunnylod/rabdata.C
+++ /dev/null
@@ -1,1384 +0,0 @@
-/* Copyright 1996, Viewpoint Datalabs Int'l, www.viewpoint.com, 1-800-DATASET */
-/*
-# Usage Rights: You (the user) may use this model to help build cool personal
-# vrml worlds, but please give us credit when you do ("3D model provided by
-# Viewpoint Datalabs, www,viewpoint.com"). Please don't sell it or use it to
-# make money indirectly. Don't redistribute it or put it on a web site except
-# as a part of your personal, non-commerical vrml world. If you want to do a
-# commercial project, give us a call at 1-800-DATASET or visit www.viewpoint.com
-# and we'll help you obtain the rights to do so.
-*/
-
-/*
- * Note that this data was put directly into the program
- * to provide a demo program on the net that people could
- * just run without having to fetch datafiles.
- * i.e. more convienent for the user this way
- */
-
-#include "rabdata.h"
-
-#pragma warning(disable : 4305)
-#pragma warning(disable : 4136)
-
-float rabbit_vertices[RABBIT_VERTEX_NUM][3]={
- {-0.334392,0.133007,0.062259},
- {-0.350189,0.150354,-0.147769},
- {-0.234201,0.343811,-0.174307},
- {-0.200259,0.285207,0.093749},
- {0.003520,0.475208,-0.159365},
- {0.001856,0.419203,0.098582},
- {-0.252802,0.093666,0.237538},
- {-0.162901,0.237984,0.206905},
- {0.000865,0.318141,0.235370},
- {-0.414624,0.164083,-0.278254},
- {-0.262213,0.357334,-0.293246},
- {0.004628,0.482694,-0.338626},
- {-0.402162,0.133528,-0.443247},
- {-0.243781,0.324275,-0.436763},
- {0.005293,0.437592,-0.458332},
- {-0.339884,-0.041150,-0.668211},
- {-0.248382,0.255825,-0.627493},
- {0.006261,0.376103,-0.631506},
- {-0.216201,-0.126776,-0.886936},
- {-0.171075,0.011544,-0.881386},
- {-0.181074,0.098223,-0.814779},
- {-0.119891,0.218786,-0.760153},
- {-0.078895,0.276780,-0.739281},
- {0.006801,0.310959,-0.735661},
- {-0.168842,0.102387,-0.920381},
- {-0.104072,0.177278,-0.952530},
- {-0.129704,0.211848,-0.836678},
- {-0.099875,0.310931,-0.799381},
- {0.007237,0.361687,-0.794439},
- {-0.077913,0.258753,-0.921640},
- {0.007957,0.282241,-0.931680},
- {-0.252222,-0.550401,-0.557810},
- {-0.267633,-0.603419,-0.655209},
- {-0.446838,-0.118517,-0.466159},
- {-0.459488,-0.093017,-0.311341},
- {-0.370645,-0.100108,-0.159454},
- {-0.371984,-0.091991,-0.011044},
- {-0.328945,-0.098269,0.088659},
- {-0.282452,-0.018862,0.311501},
- {-0.352403,-0.131341,0.144902},
- {-0.364126,-0.200299,0.202388},
- {-0.283965,-0.231869,0.023668},
- {-0.298943,-0.155218,0.369716},
- {-0.293787,-0.121856,0.419097},
- {-0.290163,-0.290797,0.107824},
- {-0.264165,-0.272849,0.036347},
- {-0.228567,-0.372573,0.290309},
- {-0.190431,-0.286997,0.421917},
- {-0.191039,-0.240973,0.507118},
- {-0.287272,-0.276431,-0.065444},
- {-0.295675,-0.280818,-0.174200},
- {-0.399537,-0.313131,-0.376167},
- {-0.392666,-0.488581,-0.427494},
- {-0.331669,-0.570185,-0.466054},
- {-0.282290,-0.618140,-0.589220},
- {-0.374238,-0.594882,-0.323298},
- {-0.381071,-0.629723,-0.350777},
- {-0.382112,-0.624060,-0.221577},
- {-0.272701,-0.566522,0.259157},
- {-0.256702,-0.663406,0.286079},
- {-0.280948,-0.428359,0.055790},
- {-0.184974,-0.508894,0.326265},
- {-0.279971,-0.526918,0.395319},
- {-0.282599,-0.663393,0.412411},
- {-0.188329,-0.475093,0.417954},
- {-0.263384,-0.663396,0.466604},
- {-0.209063,-0.663393,0.509344},
- {-0.002044,-0.319624,0.553078},
- {-0.001266,-0.371260,0.413296},
- {-0.219753,-0.339762,-0.040921},
- {-0.256986,-0.282511,-0.006349},
- {-0.271706,-0.260881,0.001764},
- {-0.091191,-0.419184,-0.045912},
- {-0.114944,-0.429752,-0.124739},
- {-0.113970,-0.382987,-0.188540},
- {-0.243012,-0.464942,-0.242850},
- {-0.314815,-0.505402,-0.324768},
- {0.002774,-0.437526,-0.262766},
- {-0.072625,-0.417748,-0.221440},
- {-0.160112,-0.476932,-0.293450},
- {0.003859,-0.453425,-0.443916},
- {-0.120363,-0.581567,-0.438689},
- {-0.091499,-0.584191,-0.294511},
- {-0.116469,-0.599861,-0.188308},
- {-0.208032,-0.513640,-0.134649},
- {-0.235749,-0.610017,-0.040939},
- {-0.344916,-0.622487,-0.085380},
- {-0.336401,-0.531864,-0.212298},
- {0.001961,-0.459550,-0.135547},
- {-0.058296,-0.430536,-0.043440},
- {0.001378,-0.449511,-0.037762},
- {-0.130135,-0.510222,0.079144},
- {0.000142,-0.477549,0.157064},
- {-0.114284,-0.453206,0.304397},
- {-0.000592,-0.443558,0.285401},
- {-0.056215,-0.663402,0.326073},
- {-0.026248,-0.568010,0.273318},
- {-0.049261,-0.531064,0.389854},
- {-0.127096,-0.663398,0.479316},
- {-0.058384,-0.663401,0.372891},
- {-0.303961,0.054199,0.625921},
- {-0.268594,0.193403,0.502766},
- {-0.277159,0.126123,0.443289},
- {-0.287605,-0.005722,0.531844},
- {-0.231396,-0.121289,0.587387},
- {-0.253475,-0.081797,0.756541},
- {-0.195164,-0.137969,0.728011},
- {-0.167673,-0.156573,0.609388},
- {-0.145917,-0.169029,0.697600},
- {-0.077776,-0.214247,0.622586},
- {-0.076873,-0.214971,0.696301},
- {-0.002341,-0.233135,0.622859},
- {-0.002730,-0.213526,0.691267},
- {-0.003136,-0.192628,0.762731},
- {-0.056136,-0.201222,0.763806},
- {-0.114589,-0.166192,0.770723},
- {-0.155145,-0.129632,0.791738},
- {-0.183611,-0.058705,0.847012},
- {-0.165562,0.001980,0.833386},
- {-0.220084,0.019914,0.768935},
- {-0.255730,0.090306,0.670782},
- {-0.255594,0.113833,0.663389},
- {-0.226380,0.212655,0.617740},
- {-0.003367,-0.195342,0.799680},
- {-0.029743,-0.210508,0.827180},
- {-0.003818,-0.194783,0.873636},
- {-0.004116,-0.157907,0.931268},
- {-0.031280,-0.184555,0.889476},
- {-0.059885,-0.184448,0.841330},
- {-0.135333,-0.164332,0.878200},
- {-0.085574,-0.170948,0.925547},
- {-0.163833,-0.094170,0.897114},
- {-0.138444,-0.104250,0.945975},
- {-0.083497,-0.084934,0.979607},
- {-0.004433,-0.146642,0.985872},
- {-0.150715,0.032650,0.884111},
- {-0.135892,-0.035520,0.945455},
- {-0.070612,0.036849,0.975733},
- {-0.004458,-0.042526,1.015670},
- {-0.004249,0.046042,1.003240},
- {-0.086969,0.133224,0.947633},
- {-0.003873,0.161605,0.970499},
- {-0.125544,0.140012,0.917678},
- {-0.125651,0.250246,0.857602},
- {-0.003127,0.284070,0.878870},
- {-0.159174,0.125726,0.888878},
- {-0.183807,0.196970,0.844480},
- {-0.159890,0.291736,0.732480},
- {-0.199495,0.207230,0.779864},
- {-0.206182,0.164608,0.693257},
- {-0.186315,0.160689,0.817193},
- {-0.192827,0.166706,0.782271},
- {-0.175112,0.110008,0.860621},
- {-0.161022,0.057420,0.855111},
- {-0.172319,0.036155,0.816189},
- {-0.190318,0.064083,0.760605},
- {-0.195072,0.129179,0.731104},
- {-0.203126,0.410287,0.680536},
- {-0.216677,0.309274,0.642272},
- {-0.241515,0.311485,0.587832},
- {-0.002209,0.366663,0.749413},
- {-0.088230,0.396265,0.678635},
- {-0.170147,0.109517,0.840784},
- {-0.160521,0.067766,0.830650},
- {-0.181546,0.139805,0.812146},
- {-0.180495,0.148568,0.776087},
- {-0.180255,0.129125,0.744192},
- {-0.186298,0.078308,0.769352},
- {-0.167622,0.060539,0.806675},
- {-0.189876,0.102760,0.802582},
- {-0.108340,0.455446,0.657174},
- {-0.241585,0.527592,0.669296},
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-};
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- {304,296,305},
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- {185,188,183},
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- {305,298,293},
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- { 30,209, 29},
- { 19, 20, 24},
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- { 19,210,212},
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- {436,437,433},
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- { 21, 26, 24},
- { 21, 24, 20},
- { 25, 26, 27},
- { 25, 27, 29},
- {435,439,277},
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- {433,437,438},
- {433,438,435},
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- { 24, 25,210},
- { 24, 26, 25},
- { 29, 27, 28},
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- { 26, 21, 22},
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- {207,278,276},
- {439,435,438},
- { 12, 9, 10},
- { 12, 10, 13},
- { 2, 3, 5},
- { 2, 5, 4},
- { 16, 13, 14},
- { 16, 14, 17},
- { 22, 21, 16},
- { 13, 10, 11},
- { 13, 11, 14},
- { 1, 0, 3},
- { 1, 3, 2},
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- { 19, 15, 16},
- { 19, 16, 20},
- { 9, 1, 2},
- { 9, 2, 10},
- { 3, 7, 8},
- { 3, 8, 5},
- { 16, 17, 23},
- { 16, 23, 22},
- { 21, 20, 16},
- { 10, 2, 4},
- { 10, 4, 11},
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- { 0, 7, 3},
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- {264,382,383},
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- { 19,212,230},
- {224,225,233},
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- {217, 56, 54},
- {217,216,239},
- {217,239,238},
- {217,238,215},
- {218,217,215},
- {218,215,214},
- { 6,102,206},
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- {135,154,118},
- {143,140,141},
- {143,141,144},
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- {124,125,127},
- {122,101,100},
- {122,100,121},
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- {110,107,109},
- { 98, 99, 97},
- { 98, 97, 64},
- { 98, 64, 66},
- { 87, 55, 57},
- { 83, 82, 79},
- { 83, 79, 84},
- { 78, 74, 50},
- { 49, 71, 41},
- { 49, 41, 37},
- { 49, 37, 36},
- { 58, 44, 60},
- { 60, 59, 58},
- { 51, 34, 33},
- { 39, 40, 42},
- { 39, 42, 38},
- {243,240, 33},
- {243, 33,229},
- { 39, 38, 6},
- { 44, 46, 40},
- { 55, 56, 57},
- { 64, 62, 65},
- { 64, 65, 66},
- { 41, 71, 45},
- { 75, 50, 51},
- { 81, 79, 82},
- { 77, 88, 73},
- { 93, 92, 94},
- { 68, 47, 46},
- { 96, 97, 99},
- { 96, 99, 95},
- {110,109,111},
- {111,112,110},
- {114,113,123},
- {114,123,124},
- {132,131,129},
- {133,137,136},
- {135,142,145},
- {145,152,135},
- {149,147,157},
- {157,158,149},
- {164,150,151},
- {153,163,168},
- {153,168,154},
- {185,183,182},
- {185,182,184},
- {161,189,190},
- {200,199,191},
- {200,191,190},
- {180,178,195},
- {180,195,196},
- {102,101,204},
- {102,204,206},
- { 43, 48,104},
- { 43,104,103},
- {216,217, 54},
- {216, 54, 32},
- {207,224,231},
- {230,212,211},
- {230,211,231},
- {227,232,241},
- {227,241,242},
- {235,234,241},
- {235,241,244},
- {430,248,247},
- {272,274,253},
- {272,253,252},
- {439,260,275},
- {225,224,259},
- {225,259,257},
- {269,270,407},
- {269,407,405},
- {270,269,273},
- {270,273,272},
- {273,269,268},
- {273,268,267},
- {273,267,266},
- {273,266,265},
- {273,265,264},
- {448,279,367},
- {281,350,368},
- {285,286,301},
- {290,323,310},
- {290,311,323},
- {282,281,189},
- {292,311,290},
- {292,290,291},
- {307,306,302},
- {307,302,303},
- {316,315,324},
- {316,324,329},
- {331,351,350},
- {330,334,335},
- {330,335,328},
- {341,337,338},
- {344,355,354},
- {346,345,348},
- {346,348,347},
- {364,369,352},
- {364,352,353},
- {365,363,361},
- {365,361,362},
- {376,401,402},
- {373,372,397},
- {373,397,400},
- {376, 92,377},
- {381,378,387},
- {381,387,385},
- {386, 77, 80},
- {390,389,412},
- {416,417,401},
- {403,417,415},
- {408,429,430},
- {419,423,418},
- {427,428,444},
- {427,444,446},
- {437,436,441},
- {450,445, 11},
- {450, 11, 4},
- {447,449, 5},
- {447, 5, 8},
- {441,438,437},
- {425,426,451},
- {425,451,452},
- {417,421,415},
- {408,407,429},
- {399,403,400},
- {399,400,397},
- {394,393,416},
- {389,411,412},
- {386,383,385},
- {408,387,378},
- {408,378,406},
- {377,391,376},
- { 94,375,415},
- {372,373,374},
- {372,374,370},
- {359,111,360},
- {359,112,111},
- {113,358,349},
- {113,349,123},
- {346,343,345},
- {343,340,342},
- {338,336,144},
- {338,144,141},
- {327,341,354},
- {327,354,326},
- {331,350,321},
- {331,321,322},
- {314,313,326},
- {314,326,325},
- {300,298,299},
- {300,299,301},
- {288,287,289},
- {189,292,282},
- {287,288,303},
- {284,285,297},
- {368,280,281},
- {448,447,279},
- {274,226,255},
- {267,268,404},
- {267,404,379},
- {429,262,430},
- {439,440,260},
- {257,258,249},
- {257,249,246},
- {430,262,248},
- {234,228,242},
- {234,242,241},
- {237,238,239},
- {237,239,236},
- { 15, 18,227},
- { 15,227,229},
- {222,223, 82},
- {222, 82, 83},
- {214,215,213},
- {214,213, 81},
- { 38,102, 6},
- {122,159,200},
- {122,200,201},
- {174,171,192},
- {174,192,194},
- {197,193,198},
- {190,170,161},
- {181,179,178},
- {181,178,180},
- {166,156,155},
- {163,153,152},
- {163,152,162},
- {120,156,149},
- {120,149,121},
- {152,153,135},
- {140,143,142},
- {135,131,132},
- {135,132,136},
- {130,129,128},
- {130,128,127},
- {100,105,119},
- {100,119,120},
- {106,104,107},
- {106,107,108},
- { 91, 95, 59},
- { 93, 94, 68},
- { 91, 89, 92},
- { 76, 53, 55},
- { 76, 55, 87},
- { 81, 78, 79},
- { 74, 73, 49},
- { 69, 60, 45},
- { 58, 62, 64},
- { 58, 64, 61},
- { 53, 31, 32},
- { 32, 54, 53},
- { 42, 43, 38},
- { 35, 36, 0},
- { 35, 0, 1},
- { 34, 35, 1},
- { 34, 1, 9},
- { 44, 40, 41},
- { 44, 41, 45},
- { 33,240, 51},
- { 63, 62, 58},
- { 63, 58, 59},
- { 45, 71, 70},
- { 76, 75, 51},
- { 76, 51, 52},
- { 86, 85, 84},
- { 86, 84, 87},
- { 89, 72, 73},
- { 89, 73, 88},
- { 91, 92, 96},
- { 91, 96, 95},
- { 72, 91, 60},
- { 72, 60, 69},
- {104,106,105},
- {119,105,117},
- {119,117,118},
- {124,127,128},
- {117,116,129},
- {117,129,131},
- {118,117,131},
- {135,140,142},
- {146,150,152},
- {146,152,145},
- {149,122,121},
- {166,165,151},
- {166,151,156},
- {158,172,173},
- {161,160,189},
- {199,198,193},
- {199,193,191},
- {204,201,202},
- {178,174,194},
- {200,159,186},
- {109, 48, 67},
- { 48,107,104},
- {216, 32,236},
- {216,236,239},
- {223,214, 81},
- {223, 81, 82},
- { 33, 12, 15},
- { 32,228,234},
- { 32,234,236},
- {240, 31, 52},
- {256,255,246},
- {256,246,249},
- {258,263,248},
- {258,248,249},
- {275,260,259},
- {275,259,276},
- {207,276,259},
- {270,271,429},
- {270,429,407},
- {413,418,366},
- {413,366,365},
- {368,367,279},
- {368,279,280},
- {303,301,286},
- {303,286,287},
- {283,282,292},
- {283,292,291},
- {320,292,189},
- {298,296,297},
- {298,297,299},
- {318,327,326},
- {318,326,313},
- {329,330,317},
- {336,333,320},
- {326,354,353},
- {334,332,333},
- {334,333,336},
- {342,339,139},
- {342,139,138},
- {345,342,126},
- {347,357,356},
- {369,368,351},
- {363,356,357},
- {363,357,361},
- {366,367,368},
- {366,368,369},
- {375,373,400},
- { 92, 90,377},
- {409,387,408},
- {386,385,387},
- {386,387,388},
- {412,394,391},
- {396,398,399},
- {408,406,405},
- {415,421,419},
- {415,419,414},
- {425,452,448},
- {425,448,424},
- {444,441,443},
- {448,452,449},
- {448,449,447},
- {446,444,443},
- {446,443,445},
- {250,247,261},
- {250,261,428},
- {421,422,423},
- {421,423,419},
- {427,410,250},
- {417,403,401},
- {403,402,401},
- {420,392,412},
- {420,412,425},
- {420,425,424},
- {386,411,389},
- {383,382,381},
- {383,381,385},
- {378,379,404},
- {372,371,395},
- {372,395,397},
- {371,372,370},
- {361,359,360},
- {361,360,362},
- {368,350,351},
- {349,347,348},
- {356,355,344},
- {356,344,346},
- {344,341,340},
- {344,340,343},
- {338,337,336},
- {328,335,341},
- {324,352,351},
- {324,351,331},
- {320,144,336},
- {314,325,324},
- {322,308,309},
- {310,309,307},
- {287,286,289},
- {203,280,279},
- {203,279,205},
- {297,295,283},
- {297,283,284},
- {447,205,279},
- {274,384, 80},
- {274, 80,226},
- {266,267,379},
- {266,379,380},
- {225,257,246},
- {225,246,245},
- {256,254,253},
- {256,253,255},
- {430,247,250},
- {226,235,244},
- {226,244,245},
- {232,233,244},
- {232,244,241},
- {230, 18, 19},
- { 32, 31,228},
- {219,220, 86},
- {219, 86, 57},
- {226,213,235},
- {206, 7, 6},
- {122,201,101},
- {201,204,101},
- {180,196,197},
- {170,192,171},
- {200,190,189},
- {194,193,195},
- {183,181,180},
- {183,180,182},
- {155,154,168},
- {149,156,151},
- {149,151,148},
- {155,156,120},
- {145,142,143},
- {145,143,146},
- {136,137,140},
- {133,132,130},
- {128,129,116},
- {100,120,121},
- {110,112,113},
- {110,113,114},
- { 66, 65, 63},
- { 66, 63, 99},
- { 66, 99, 98},
- { 96, 46, 61},
- { 89, 88, 90},
- { 86, 87, 57},
- { 80, 78, 81},
- { 72, 69, 49},
- { 67, 48, 47},
- { 67, 47, 68},
- { 56, 55, 53},
- { 50, 49, 36},
- { 50, 36, 35},
- { 40, 39, 41},
- {242,243,229},
- {242,229,227},
- { 6, 37, 39},
- { 42, 47, 48},
- { 42, 48, 43},
- { 61, 46, 44},
- { 45, 70, 69},
- { 69, 70, 71},
- { 69, 71, 49},
- { 74, 78, 77},
- { 83, 84, 85},
- { 73, 74, 77},
- { 93, 96, 92},
- { 68, 46, 93},
- { 95, 99, 63},
- { 95, 63, 59},
- {115,108,110},
- {115,110,114},
- {125,126,127},
- {129,130,132},
- {137,133,138},
- {137,138,139},
- {148,146,143},
- {148,143,147},
- {119,118,154},
- {161,147,143},
- {165,164,151},
- {158,157,171},
- {158,171,172},
- {159,158,187},
- {159,187,186},
- {194,192,191},
- {194,191,193},
- {189,202,201},
- {182,197,184},
- {205, 8, 7},
- { 48,109,107},
- {218,219, 57},
- {218, 57, 56},
- {207,231,211},
- {232,230,231},
- {232,231,233},
- { 53, 52, 31},
- {388,411,386},
- {409,430,250},
- {262,429,254},
- {262,254,256},
- {442,444,428},
- {273,264,383},
- {273,383,384},
- {429,271,251},
- {429,251,254},
- {413,365,362},
- { 67,413,360},
- {282,283,295},
- {285,301,299},
- {202,281,280},
- {284,283,291},
- {284,291,289},
- {320,189,160},
- {308,306,307},
- {307,309,308},
- {319,317,330},
- {319,330,328},
- {353,352,324},
- {332,331,333},
- {340,341,338},
- {354,341,344},
- {349,358,357},
- {349,357,347},
- {364,355,356},
- {364,356,363},
- {364,365,366},
- {364,366,369},
- {374,376,402},
- {375, 92,373},
- { 77,389,390},
- {382,380,381},
- {389, 77,386},
- {393,394,412},
- {393,412,392},
- {401,394,416},
- {415,400,403},
- {411,410,427},
- {411,427,426},
- {422,420,424},
- {247,248,263},
- {247,263,261},
- {445,443, 14},
- {445, 14, 11},
- {449,450, 4},
- {449, 4, 5},
- {443,441, 17},
- {443, 17, 14},
- {436, 23, 17},
- {436, 17,441},
- {424,448,422},
- {448,423,422},
- {414,419,418},
- {414,418,413},
- {406,404,405},
- {399,397,395},
- {399,395,396},
- {420,416,392},
- {388,410,411},
- {386,384,383},
- {390, 88, 77},
- {375, 94, 92},
- {415,414, 68},
- {415, 68, 94},
- {370,374,402},
- {370,402,398},
- {361,357,358},
- {361,358,359},
- {125,348,126},
- {346,344,343},
- {340,338,339},
- {337,335,334},
- {337,334,336},
- {325,353,324},
- {324,331,332},
- {324,332,329},
- {323,322,309},
- {323,309,310},
- {294,295,297},
- {294,297,296},
- {289,286,285},
- {202,280,203},
- {288,307,303},
- {282,295,321},
- { 67,360,111},
- {418,423,367},
- {418,367,366},
- {272,252,251},
- {272,251,271},
- {272,271,270},
- {255,253,274},
- {265,266,380},
- {265,380,382},
- {442,428,261},
- {440,263,258},
- {440,258,260},
- {409,250,410},
- {255,226,245},
- {255,245,246},
- { 31,240,243},
- {236,234,235},
- {236,235,237},
- {233,225,245},
- {233,245,244},
- {220,221, 85},
- {220, 85, 86},
- { 81,213,226},
- { 81,226, 80},
- { 7,206,205},
- {186,184,198},
- {186,198,199},
- {204,203,205},
- {204,205,206},
- {195,193,196},
- {171,174,172},
- {173,174,175},
- {173,172,174},
- {155,167,166},
- {160,161,143},
- {160,143,144},
- {119,154,155},
- {148,151,150},
- {148,150,146},
- {140,137,139},
- {140,139,141},
- {127,126,130},
- {114,124,128},
- {114,128,115},
- {117,105,106},
- {117,106,116},
- {104,105,100},
- {104,100,103},
- { 59, 60, 91},
- { 97, 96, 61},
- { 97, 61, 64},
- { 91, 72, 89},
- { 87, 84, 79},
- { 87, 79, 76},
- { 78, 80, 77},
- { 49, 50, 74},
- { 60, 44, 45},
- { 61, 44, 58},
- { 51, 50, 35},
- { 51, 35, 34},
- { 39, 37, 41},
- { 33, 34, 9},
- { 33, 9, 12},
- { 0, 36, 37},
- { 0, 37, 6},
- { 40, 46, 47},
- { 40, 47, 42},
- { 53, 54, 56},
- { 65, 62, 63},
- { 72, 49, 73},
- { 79, 78, 75},
- { 79, 75, 76},
- { 52, 53, 76},
- { 92, 89, 90},
- { 96, 93, 46},
- {102,103,100},
- {102,100,101},
- {116,106,108},
- {116,108,115},
- {123,125,124},
- {116,115,128},
- {118,131,135},
- {140,135,136},
- {148,147,149},
- {120,119,155},
- {164,162,152},
- {164,152,150},
- {157,147,161},
- {157,161,170},
- {186,187,185},
- {186,185,184},
- {193,197,196},
- {202,203,204},
- {194,195,178},
- {198,184,197},
- { 67,111,109},
- { 38, 43,103},
- { 38,103,102},
- {214,223,222},
- {214,222,221},
- {214,221,220},
- {214,220,219},
- {214,219,218},
- {213,237,235},
- {221,222, 83},
- {221, 83, 85},
- { 15,229, 33},
- {227, 18,230},
- {227,230,232},
- { 52, 51,240},
- { 75, 78, 50},
- {408,430,409},
- {260,258,257},
- {260,257,259},
- {224,207,259},
- {268,269,405},
- {268,405,404},
- {413,362,360},
- {447, 8,205},
- {299,297,285},
- {189,281,202},
- {290,288,289},
- {290,289,291},
- {322,321,295},
- {322,295,294},
- {333,323,311},
- {333,311,320},
- {317,316,329},
- {320,160,144},
- {353,325,326},
- {329,332,334},
- {329,334,330},
- {339,338,141},
- {339,141,139},
- {348,345,126},
- {347,356,346},
- {123,349,125},
- {364,353,354},
- {364,354,355},
- {365,364,363},
- {376,391,394},
- {376,394,401},
- { 92,376,374},
- { 92,374,373},
- {377, 90, 88},
- {380,379,378},
- {380,378,381},
- {388,387,409},
- {388,409,410},
- {416,393,392},
- {399,398,402},
- {399,402,403},
- {250,428,427},
- {421,417,416},
- {421,416,420},
- {426,427,446},
- {426,446,451},
- {444,442,441},
- {452,451,450},
- {452,450,449}
-};
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
diff --git a/applications/utilities/surface/surfaceCoarsen/bunnylod/rabdata.h b/applications/utilities/surface/surfaceCoarsen/bunnylod/rabdata.h
deleted file mode 100644
index 96cec00..0000000
--- a/applications/utilities/surface/surfaceCoarsen/bunnylod/rabdata.h
+++ /dev/null
@@ -1,33 +0,0 @@
-/* Copyright 1996, Viewpoint Datalabs Int'l, www.viewpoint.com, 1-800-DATASET */
-/*
-# Usage Rights: You (the user) may use this model to help build cool personal
-# vrml worlds, but please give us credit when you do ("3D model provided by
-# Viewpoint Datalabs, www,viewpoint.com"). Please don't sell it or use it to
-# make money indirectly. Don't redistribute it or put it on a web site except
-# as a part of your personal, non-commerical vrml world. If you want to do a
-# commercial project, give us a call at 1-800-DATASET or visit www.viewpoint.com
-# and we'll help you obtain the rights to do so.
-*/
-
-/*
- * Note that this data was put directly into the program
- * to provide a demo program on the net that people could
- * just run without having to fetch datafiles.
- * i.e. more convienent for the user this way
- */
-
-
-#ifndef RABBIT_DATA_H
-#define RABBIT_DATA_H
-
-#define RABBIT_VERTEX_NUM (453)
-#define RABBIT_TRIANGLE_NUM (902)
-
-extern float rabbit_vertices[RABBIT_VERTEX_NUM][3];
-extern int rabbit_triangles[RABBIT_TRIANGLE_NUM][3];
-
-
-
-#endif
-
-// ************************ vim: set sw=4 sts=4 et: ************************ //
--
Freefoam packaging. Programs and libraries for Computational Fluid Dynamics (CFD)
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