33 lines
518 B
Plaintext
33 lines
518 B
Plaintext
# three orthogonal periodic CNTs
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# demo for replicating triply looped system
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# infinite loops in x, y, z
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# includes bonded interactions across box corners
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# includes bonds, angles, dihedrals, impropers (class2)
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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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pair_style lj/class2 10
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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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read_data three_periodic_CNTs.data.gz
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replicate 2 2 2 bondlist
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fix 1 all nve
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run 100
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# write_restart replicate.restart
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# write_data replicate.data
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