File: in.demo

package info (click to toggle)
lammps 20210122~gita77bb%2Bds1-2
  • links: PTS, VCS
  • area: main
  • in suites: bullseye
  • size: 331,996 kB
  • sloc: cpp: 802,213; python: 24,256; xml: 14,949; f90: 10,448; ansic: 8,476; perl: 4,161; sh: 3,466; fortran: 2,805; makefile: 1,250; objc: 238; lisp: 163; csh: 16; awk: 14; tcl: 6
file content (26 lines) | stat: -rw-r--r-- 394 bytes parent folder | download | duplicates (10) 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
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