27 lines
428 B
Plaintext
27 lines
428 B
Plaintext
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units lj
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neighbor 0.4 bin
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neigh_modify every 1 delay 1 check yes
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atom_style atomic
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special_bonds lj/coul 1.0 1.0 1.0
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read_data data.dpd
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timestep 0.02
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comm_modify vel yes
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#set DPD pair coefficients
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pair_style dpd 1.0 3.0 34387
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pair_coeff 1 1 78.0 4.5 1.0
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pair_coeff 1 2 50.0 4.5 1.0
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pair_coeff 2 2 78.0 4.5 1.0
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fix 3 all nve
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thermo_style custom step temp etotal evdwl
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thermo 100
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run 2000
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