← Back to branch summary

~ubuntu-branches/debian/sid/lammps/sid

« back to all changes in this revision

Viewing changes to examples/accelerate/in.lj.5.0

  • Committer: Package Import Robot
  • Author(s): Anton Gladky
  • Date: 2015-04-29 23:44:49 UTC
  • mfrom: (5.1.3 experimental)
  • Revision ID: package-import@ubuntu.com-20150429234449-mbhy9utku6hp6oq8
Tags: 0~20150313.gitfa668e1-1
Upload into unstable.

Show diffs side-by-side

added added

removed removed

Lines of Context:
examples/accelerate/in.lj.5.0
 
1
# 3d Lennard-Jones melt
 
2
 
 
3
variable        x index 1
 
4
variable        y index 1
 
5
variable        z index 1
 
6
variable        t index 100
 
7
 
 
8
variable        xx equal 20*$x
 
9
variable        yy equal 20*$y
 
10
variable        zz equal 20*$z
 
11
 
 
12
units           lj
 
13
atom_style      atomic
 
14
 
 
15
lattice         fcc 0.8442
 
16
region          box block 0 ${xx} 0 ${yy} 0 ${zz}
 
17
create_box      1 box
 
18
create_atoms    1 box
 
19
mass            1 1.0
 
20
 
 
21
velocity        all create 1.44 87287 loop geom
 
22
 
 
23
pair_style      lj/cut 5.0
 
24
pair_coeff      1 1 1.0 1.0
 
25
 
 
26
neighbor        0.3 bin
 
27
neigh_modify    delay 0 every 20 check no
 
28
 
 
29
fix             1 all nve
 
30
 
 
31
thermo          100
 
32
 
 
33
run             $t