21 lines
429 B
Plaintext
21 lines
429 B
Plaintext
# LJ particles
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variable T0 equal 300.0
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variable press equal 0.0
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units real
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atom_style full
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pair_style lj/cut 5.0
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read_data "lj.data"
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thermo 10
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thermo_style custom step temp pe etotal press vol
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timestep 1.0
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fix fxnvt all nvt temp ${T0} ${T0} 1000.0
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fix fxgREM all grem 400 -.01 -30000 fxnvt
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run 1000
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#write_data lj-out.data
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