1# 2d Lennard-Jones melt and subsequent energy minimization
2
3units		lj
4dimension	2
5atom_style	atomic
6
7lattice		sq2 0.8442
8region		box block 0 20 0 20 -0.1 0.1
9create_box	1 box
10create_atoms	1 box
11mass		1 1.0
12
13velocity	all create 5.0 87287 loop geom
14
15pair_style	lj/cut 2.5
16pair_coeff	1 1 1.0 1.0 2.5
17pair_modify	shift yes
18
19neighbor	0.3 bin
20neigh_modify	delay 0 every 1 check yes
21
22fix		1 all nve
23fix		2 all enforce2d
24
25#dump		1 all atom 100 dump.min
26
27#dump		2 all image 50 image.*.jpg type type &
28#		zoom 1.6 adiam 1.5
29#dump_modify	2 pad 4
30
31#dump		3 all movie 50 movie.mpg type type &
32#		zoom 1.6 adiam 1.5
33#dump_modify	3 pad 4
34
35thermo		100
36
37run		1000
38
39neigh_modify	delay 0 every 1 check yes
40
41#dump_modify	1 every 25
42
43thermo		50
44minimize	1.0e-6 0.001 1000 10000
45