[lammps] 01/08: Merge tag 'upstream/0_20140212.git32a5cd0'
Anton Gladky
gladk at moszumanska.debian.org
Fri Feb 14 05:23:36 UTC 2014
This is an automated email from the git hooks/post-receive script.
gladk pushed a commit to branch master
in repository lammps.
commit 83b0d1b20e0a2216de81a6853de4a5320e5d1dab
Merge: 79b0d94 5127b33
Author: Anton Gladky <gladk at debian.org>
Date: Thu Feb 13 20:47:58 2014 +0100
Merge tag 'upstream/0_20140212.git32a5cd0'
Upstream version 0~20140212.git32a5cd0
bench/log.1Feb14.chain.fixed.linux.1 | 63 +
bench/log.1Feb14.chain.fixed.linux.4 | 63 +
bench/log.1Feb14.chain.scaled.linux.4 | 79 +
bench/log.1Feb14.chute.fixed.linux.1 | 65 +
bench/log.1Feb14.chute.fixed.linux.4 | 65 +
bench/log.1Feb14.chute.scaled.linux.4 | 75 +
bench/log.1Feb14.eam.fixed.linux.1 | 67 +
bench/log.1Feb14.eam.fixed.linux.4 | 67 +
bench/log.1Feb14.eam.scaled.linux.4 | 67 +
bench/log.1Feb14.lj.fixed.linux.1 | 64 +
bench/log.1Feb14.lj.fixed.linux.4 | 64 +
bench/log.1Feb14.lj.scaled.linux.4 | 64 +
bench/log.1Feb14.rhodo.fixed.linux.1 | 109 +
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bench/log.1Feb14.rhodo.scaled.linux.4 | 130 +
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doc/PDF/PDLammps_overview.pdf | Bin 0 -> 254253 bytes
doc/PDF/colvars-refman-lammps.pdf | Bin 599768 -> 592707 bytes
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examples/ASPHERE/poly/log.poly.mp.10Sep13 | 239 -
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examples/colloid/log.colloid.1Feb14.linux.4 | 131 +
examples/comb/data.comb3-OHCCu | 1380 +-
examples/comb/in.comb.Cu | 8 +-
examples/comb/in.comb.HfO2 | 14 +-
examples/comb/in.comb.Si | 8 +-
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examples/neb/README | 1 +
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examples/neb/final.sivac | 8 +
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src/write_restart.cpp | 466 +-
src/write_restart.h | 42 +-
tools/Makefile | 3 -
tools/README | 4 +-
tools/colvars/Makefile | 24 +
tools/colvars/abf_data.cpp | 341 +
tools/colvars/abf_data.h | 94 +
tools/colvars/abf_integrate.cpp | 343 +
tools/moltemplate/common/amber/amberparm2lt.sh | 18 +-
.../common/amber/amberparm_pair_to_lt.py | 13 +-
tools/moltemplate/common/gaff.lt | 162 +-
.../calc_table/calc_CGLipidTableINTvsINT.py | 5 -
.../CG_biomolecules/membrane+protein/run.in.npt | 11 +-
.../CG_biomolecules/membrane+protein/run.in.nvt | 38 +-
.../moltemplate_files/calc_table/calc_table.py | 5 -
.../1beadProtSci2010/moltemplate_files/system.lt | 13 -
.../calc_table/calc_CGLipidTableINTvsINT.py | 5 -
.../packmol_files/README.sh | 13 +-
.../vesicle_Brannigan2005+Bellesia2010/run.in.min | 9 +-
.../vesicle_Brannigan2005+Bellesia2010/run.in.nvt | 15 +-
.../examples/CG_misc/translocation/run.in.nvt | 6 +
.../CG_solvent/cyclododecane+watMW/run.in.npt | 9 +-
.../CG_solvent/cyclododecane+watMW/run.in.nvt | 37 +-
.../AMBER_force_field_examples/WARNING.TXT | 72 +
.../hexadecane/README.TXT | 44 +
.../hexadecane/README_run.sh | 39 +
.../hexadecane/README_setup.sh | 74 +
.../hexadecane/README_visualize.txt | 87 +
.../hexadecane/WARNING.TXT | 16 +
.../images/hexadecane_12x12x2_t=0_LR.jpg | Bin 0 -> 27017 bytes
.../images/hexadecane_12x12x2_t=10ps_npt_LR.jpg | Bin 0 -> 36181 bytes
.../hexadecane/images/hexadecane_LR.jpg | Bin 0 -> 5237 bytes
.../hexadecane/moltemplate_files/ch2group.lt | 49 +
.../hexadecane/moltemplate_files/ch3group.lt | 52 +
.../hexadecane/moltemplate_files/hexadecane.lt | 84 +
.../hexadecane/moltemplate_files/system.lt | 18 +
.../hexadecane/run.in.npt | 85 +
.../hexadecane/run.in.nvt | 42 +
.../waterTIP3P+isobutane/README_setup.sh | 27 +
.../moltemplate_files/system.lt | 1 +
.../waterTIP3P+isobutane/run.in.npt | 14 +-
.../waterTIP3P+isobutane/run.in.nvt | 48 +-
.../convert_LAMMPS_to_LT_examples/cnad-cnt/cnt.lt | 779 +
.../all_atom_examples/hexadecane/README.TXT | 38 +
.../all_atom_examples/hexadecane/README_run.sh | 39 +
.../all_atom_examples/hexadecane/README_setup.sh | 25 +
.../hexadecane/README_visualize.txt | 87 +
.../all_atom_examples/hexadecane/WARNING.TXT | 16 +
.../images/hexadecane_12x12x2_t=0_LR.jpg | Bin 0 -> 27017 bytes
.../images/hexadecane_12x12x2_t=10ps_npt_LR.jpg | Bin 0 -> 36181 bytes
.../hexadecane/images/hexadecane_LR.jpg | Bin 0 -> 5237 bytes
.../hexadecane/moltemplate_files/alkanes.lt | 84 +
.../hexadecane/moltemplate_files/ch2group.lt | 44 +
.../hexadecane/moltemplate_files/ch3group.lt | 44 +
.../hexadecane/moltemplate_files/hexadecane.lt | 84 +
.../hexadecane/moltemplate_files/system.lt | 18 +
.../all_atom_examples/hexadecane/run.in.npt | 85 +
.../all_atom_examples/hexadecane/run.in.nvt | 42 +
.../nanotube+water/moltemplate_files/nanotube.lt | 72 +
.../all_atom_examples/nanotube+water/run.in.npt | 6 +-
.../all_atom_examples/nanotube+water/run.in.nvt | 10 +-
.../waterSPCE_from_PDBfile/run.in.npt | 42 +-
.../waterSPCE_from_PDBfile/run.in.nvt | 63 +-
.../all_atom_examples/waterSPCE+Na+Cl/run.in.npt | 14 +-
.../all_atom_examples/waterSPCE+Na+Cl/run.in.nvt | 33 +-
tools/moltemplate/src/dump2data.py | 13 +-
tools/moltemplate/src/lttree.py | 4 +-
tools/moltemplate/src/lttree_check.py | 4 +-
tools/moltemplate/src/moltemplate.sh | 18 +-
tools/moltemplate/src/nbody_by_type.py | 4 +-
tools/moltemplate/src/nbody_by_type_lib_old.py | 312 -
tools/moltemplate/src/postprocess_input_script.py | 9 +-
tools/moltemplate/src/raw2data.py | 3 -
tools/moltemplate/src/ttree.py | 4 +-
tools/restart2data.cpp | 4309 -
1367 files changed, 218547 insertions(+), 223865 deletions(-)
--
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