24 lines
398 B
Plaintext
24 lines
398 B
Plaintext
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units metal
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boundary p p p
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read_data vacancy.data
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pair_style agni
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pair_coeff * * Al_jpc.agni Al
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neighbor 0.3 bin
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neigh_modify delay 2 check yes
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timestep 0.0005
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velocity all create 1000 12345
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fix 1 all nvt temp 900 900 200
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fix 5 all momentum 1 linear 1 1 1
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thermo 100
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thermo_style custom step ke etotal temp
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# dump MyDump all custom 250 dump.atoms id type x y z vx vy vz fx fy fz
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run 1000
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