17 lines
348 B
Plaintext
17 lines
348 B
Plaintext
units real
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atom_style charge
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atom_modify map array
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atom_modify sort 0 0.0
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read_data data.diamond
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neighbor 1.0 bin
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neigh_modify delay 0 every 5 check no
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fix 1 all nve
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fix 2 all external pf/callback 1 1
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fix_modify 2 energy yes
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thermo_style custom step temp etotal ke pe lx ly lz pxx pyy pzz press
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thermo 1
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timestep 0.5
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