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# 3d Lennard-Jones melt
units lj
atom_style atomic
newton off
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 3.0 87287
pair_style lj/cut/gpu 2.5
pair_coeff 1 1 1.0 1.0 2.5
neighbor 0.3 bin
neigh_modify every 5 delay 10 check yes
thermo_style custom step pe ke spcpu
fix 0 all gpu force/neigh 0 0 1.0
fix 1 all nve
# IMD setup.
fix comm all imd 5678 unwrap off fscale 20.0 trate 20 nowait on
thermo 500
run 5000000
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