25 lines
365 B
Plaintext
25 lines
365 B
Plaintext
# GJ thermostat
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units metal
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atom_style full
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boundary p p p
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read_data argon.lmp
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include ff-argon.lmp
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velocity all create 10 2357 mom yes dist gaussian
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neighbor 1 bin
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timestep 0.1
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compute myKE all ke
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compute myPE all pe
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fix lang all gjf 10 10 1 26488
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run 5000
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fix energies all ave/time 1 20000 20000 c_myKE c_myPE #file ave.out
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thermo 2000
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run 35000 |