[lammps] 05/08: Add autotests.

[Anton Gladky]

This is an automated email from the git hooks/post-receive script.

gladk pushed a commit to branch master
in repository lammps.

commit 85cb066007a7b3d3031d1ef002ed167671839bd2
Author: Anton Gladky <gladk at debian.org>
Date:   Thu Feb 13 22:34:49 2014 +0100

    Add autotests.
---
 debian/control        |  1 +
 debian/tests/control  |  2 ++
 debian/tests/crack    |  4 +++
 debian/tests/in.crack | 77 +++++++++++++++++++++++++++++++++++++++++++++++++++
 4 files changed, 84 insertions(+)

diff --git a/debian/control b/debian/control
index 80eaab5..370671f 100644
--- a/debian/control
+++ b/debian/control
@@ -14,6 +14,7 @@ Homepage: http://lammps.sandia.gov/
 Standards-Version: 3.9.5
 Vcs-Git: git://anonscm.debian.org/debian-science/packages/lammps.git
 Vcs-Browser: http://anonscm.debian.org/gitweb/?p=debian-science/packages/lammps.git
+XS-Testsuite: autopkgtest
 
 Package: lammps
 Architecture: any
diff --git a/debian/tests/control b/debian/tests/control
new file mode 100644
index 0000000..0ed5006
--- /dev/null
+++ b/debian/tests/control
@@ -0,0 +1,2 @@
+Tests: crack
+Depends: lammps
diff --git a/debian/tests/crack b/debian/tests/crack
new file mode 100644
index 0000000..b387f47
--- /dev/null
+++ b/debian/tests/crack
@@ -0,0 +1,4 @@
+#!/bin/sh
+set -e
+
+lammps < in.crack
diff --git a/debian/tests/in.crack b/debian/tests/in.crack
new file mode 100644
index 0000000..710974c
--- /dev/null
+++ b/debian/tests/in.crack
@@ -0,0 +1,77 @@
+# 2d LJ crack simulation
+
+dimension	2
+boundary	s s p
+
+atom_style	atomic
+neighbor	0.3 bin
+neigh_modify	delay 5
+
+# create geometry
+
+lattice		hex 0.93
+region		box block 0 100 0 40 -0.25 0.25
+create_box	5 box
+create_atoms	1 box
+
+mass		1 1.0
+mass		2 1.0
+mass		3 1.0
+mass		4 1.0
+mass		5 1.0
+
+# LJ potentials
+
+pair_style	lj/cut 2.5
+pair_coeff	* * 1.0 1.0 2.5
+
+# define groups
+
+region	        1 block INF INF INF 1.25 INF INF
+group		lower region 1
+region		2 block INF INF 38.75 INF INF INF
+group		upper region 2
+group		boundary union lower upper
+group		mobile subtract all boundary
+
+region		leftupper block INF 20 20 INF INF INF
+region		leftlower block INF 20 INF 20 INF INF
+group		leftupper region leftupper
+group		leftlower region leftlower
+
+set		group leftupper type 2
+set		group leftlower type 3
+set		group lower type 4
+set		group upper type 5
+
+# initial velocities
+
+compute	  	new mobile temp
+velocity	mobile create 0.01 887723 temp new
+velocity	upper set 0.0 0.3 0.0
+velocity	mobile ramp vy 0.0 0.3 y 1.25 38.75 sum yes
+
+# fixes
+
+fix		1 all nve
+fix		2 boundary setforce NULL 0.0 0.0
+
+# run
+
+timestep	0.003
+thermo		200
+thermo_modify	temp new
+
+neigh_modify	exclude type 2 3
+
+#dump		1 all atom 500 dump.crack
+
+#dump		2 all image 250 image.*.jpg type type &
+#		zoom 1.6 adiam 1.5
+#dump_modify	2 pad 4
+
+#dump		3 all movie 250 movie.mpg type type &
+#		zoom 1.6 adiam 1.5
+#dump_modify	3 pad 4
+
+run		5000

-- 
Alioth's /usr/local/bin/git-commit-notice on /srv/git.debian.org/git/debian-science/packages/lammps.git