32 lines
489 B
Plaintext
32 lines
489 B
Plaintext
# Cu ring
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units metal
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boundary p p p
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atom_style atomic
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read_data ring.data
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mass 1 12.0107
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pair_style eam
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pair_coeff * * ../potentials/Cu_u3.eam
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pair_modify shift yes
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group particles type 1
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velocity particles create 1500 102932
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fix 1 particles nve
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neighbor 5.0 bin
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neigh_modify delay 0 every 20 check no
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thermo 10
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thermo_style custom step pe etotal temp
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timestep 0.001
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run 100
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