forked from lijiext/lammps
32 lines
536 B
Plaintext
32 lines
536 B
Plaintext
# bulk Cu lattice
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# newton off is required for GPU package
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# set variable g = 1/2 for 1/2 GPUs
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newton off
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if "$g == 1" then "package gpu force/neigh 0 0 1"
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if "$g == 2" then "package gpu force/neigh 0 1 1"
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units metal
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atom_style atomic
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lattice fcc 3.615
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region box block 0 $x 0 $y 0 $z
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create_box 1 box
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create_atoms 1 box
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pair_style eam
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pair_coeff 1 1 Cu_u3.eam
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velocity all create 1600.0 376847 loop geom
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neighbor 1.0 bin
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neigh_modify every 1 delay 5 check yes
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fix 1 all nve
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timestep 0.005
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thermo 50
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run $t
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