# Original LAMMPS distribution "in.crack" example

# 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