forked from lijiext/lammps
25 lines
514 B
Plaintext
25 lines
514 B
Plaintext
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# NaCl test problem for embedded atom method (EIM) potential
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units metal
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atom_style atomic
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boundary p p p
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lattice diamond 5.0
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read_data data.eim
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pair_style eim
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pair_coeff * * Na Cl ffield.eim Na Cl
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neighbor 0.3 bin
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neigh_modify delay 0
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timestep 0.001
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thermo_style custom step pe pxx pyy pzz temp
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thermo 50
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velocity all create 1400.0 43454 dist gaussian mom yes
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fix int all npt temp 1400.0 300.0 0.1 aniso 0.0 0.0 0.1
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run 100
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