git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12098 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2014-06-06 23:44:49 +00:00
parent d5a5342355
commit 87d0ff963b
2 changed files with 130 additions and 0 deletions
--- a/python/examples/in.mc
+++ b/python/examples/in.mc
@ -0,0 +1,22 @@
+# problem setup for Monte Carlo relaxation of perturbed 2d hex lattice
+# same as example/MC/in.mc
+
+units		lj
+atom_style	atomic
+atom_modify     map array sort 0 0.0
+
+dimension       2
+
+lattice		hex 1.0
+region		box block 0 10 0 5 -0.5 0.5
+
+create_box	1 box
+create_atoms	1 box
+mass		1 1.0
+
+pair_style	lj/cut 2.5
+pair_coeff	1 1 1.0 1.0 2.5
+pair_modify     shift yes
+
+neighbor	0.3 bin
+neigh_modify	delay 0 every 1 check yes