add integration testing for python module

2015-09-01 18:53:03 -04:00
parent 515edd8c7c
commit bf07465617
4 changed files with 85 additions and 1 deletions
--- a/test/lib_python/in.simple
+++ b/test/lib_python/in.simple
@ -0,0 +1,27 @@
+# 3d Lennard-Jones melt
+
+units		lj
+timer		off
+atom_style	atomic
+atom_modify	map array
+
+lattice		fcc 0.8442
+region		box block 0 4 0 4 0 4
+create_box	1 box
+create_atoms	1 box
+mass		1 1.0
+
+velocity	all create 1.44 87287 loop geom
+
+pair_style	lj/cut 2.5
+pair_coeff	1 1 1.0 1.0 2.5
+
+neighbor	0.3 bin
+neigh_modify	delay 0 every 20 check no
+
+fix		1 all nve
+
+variable        fx atom fx
+
+run		10
+info		all