Large-scale Atomic/Molecular Massively Parallel Simulator Format, aka Large-scale Atomic/Molecular Massively Parallel Simulator Format, is a historical application created in 1995.

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  • Large-scale Atomic/Molecular Massively Parallel Simulator Format first appeared in 1995
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Example code from the web:

# 2d LJ crack simulation

dimension 2
boundary  s s p

atom_style  atomic
neighbor  0.3 bin
neigh_modify  delay 5

# create geometry

lattice   hex 0.93
region    box block 0 100 0 40 -0.25 0.25
create_box  5 box
create_atoms  1 box

mass    1 1.0
mass    2 1.0
mass    3 1.0
mass    4 1.0
mass    5 1.0

# LJ potentials

pair_style  lj/cut 2.5
pair_coeff  * * 1.0 1.0 2.5

# define groups

region          1 block INF INF INF 1.25 INF INF
group   lower region 1
region    2 block INF INF 38.75 INF INF INF
group   upper region 2
group   boundary union lower upper
group   mobile subtract all boundary

region    leftupper block INF 20 20 INF INF INF
region    leftlower block INF 20 INF 20 INF INF
group   leftupper region leftupper
group   leftlower region leftlower

set   group leftupper type 2
set   group leftlower type 3
set   group lower type 4
set   group upper type 5

# initial velocities

compute     new mobile temp
velocity  mobile create 0.01 887723 temp new
velocity  upper set 0.0 0.3 0.0
velocity  mobile ramp vy 0.0 0.3 y 1.25 38.75 sum yes

# fixes

fix   1 all nve
fix   2 boundary setforce NULL 0.0 0.0

# run

timestep  0.003
thermo    200
thermo_modify temp new

neigh_modify  exclude type 2 3

#dump   1 all atom 500 dump.crack

#dump   2 all image 250 image.*.jpg type type &
#   zoom 1.6 adiam 1.5
#dump_modify  2 pad 4

#dump   3 all movie 250 movie.mpg type type &
#   zoom 1.6 adiam 1.5
#dump_modify  3 pad 4

run   5000
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Last updated February 11th, 2019