Commit 60b96276 authored by Julien Guénolé's avatar Julien Guénolé
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one missing example

parent 6bd23f49
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Original line number Diff line number Diff line
# 2d Lennard-Jones melt and subsequent energy minimization

units		lj
dimension	2
atom_style	atomic

lattice		sq2 0.8442
region		box block 0 20 0 20 -0.1 0.1
create_box	1 box
create_atoms	1 box
mass		1 1.0

velocity	all create 5.0 87287 loop geom

pair_style	lj/cut 2.5
pair_coeff	1 1 1.0 1.0 2.5
pair_modify	shift yes

neighbor	0.3 bin
neigh_modify	delay 0 every 1 check yes

fix		1 all nve
fix		2 all enforce2d

#dump		1 all atom 100 dump.min

#dump		2 all image 50 image.*.jpg type type &
#		zoom 1.6 adiam 1.5
#dump_modify	2 pad 4

#dump		3 all movie 50 movie.mpg type type &
#		zoom 1.6 adiam 1.5
#dump_modify	3 pad 4

thermo		100

run		1000

neigh_modify	delay 0 every 1 check yes

#dump_modify	1 every 25

thermo		50
min_style	fire
min_modify      integrator eulerexplicit tmax 10.0 tmin 0.0 delaystep 5 &
                dtgrow 1.1 dtshrink 0.5 alpha0 0.1 alphashrink 0.99 &
                vdfmax 100000 halfstepback no initialdelay no
minimize	0.0 1.0e-6 10000 10000
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