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tutorial8/input.lmp
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+# LAMMPS input file
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+
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+units real
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+boundary p p p
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+atom_style full
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+kspace_style pppm 1.0e-5
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+pair_style lj/class2/coul/long 8.5
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+angle_style class2
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+bond_style class2
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+dihedral_style class2
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+improper_style class2
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+pair_modify tail yes mix sixthpower
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+special_bonds lj/coul 0 0 1
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+read_data reacted.data &
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+ extra/bond/per/atom 5 &
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+ extra/angle/per/atom 15 &
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+ extra/dihedral/per/atom 15 &
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+ extra/improper/per/atom 25 &
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+ extra/special/per/atom 25
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+dump mydmp all custom 1000 dump.lammpstrj id type xu yu zu
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+fix mynvt all nvt temp 300 300 100
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+run 5000
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