git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5201 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2010-11-02 15:07:40 +00:00
parent b63b44e274
commit 453aba29e5
23 changed files with 5263 additions and 0 deletions
--- a/python/examples/in.demo
+++ b/python/examples/in.demo
@ -0,0 +1,26 @@
+# 3d Lennard-Jones melt
+
+units		lj
+atom_style	atomic
+atom_modify	map hash
+
+lattice		fcc 0.8442
+region		box block 0 10 0 10 0 10
+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	eng equal pe
+variable	vy atom vy
+
+run		100