26 lines
696 B
Plaintext
26 lines
696 B
Plaintext
variable units index real
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variable input_dir index .
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variable data_file index ${input_dir}/data.fourmol
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variable pair_style index 'zero 8.0'
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variable bond_style index zero
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variable angle_style index zero
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variable dihedral_style index zero
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variable improper_style index zero
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atom_style full
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atom_modify map array
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neigh_modify delay 2 every 2 check no
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units ${units}
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timestep 0.1
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pair_style ${pair_style}
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bond_style ${bond_style}
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angle_style ${angle_style}
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dihedral_style ${dihedral_style}
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improper_style ${improper_style}
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read_data ${data_file}
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dihedral_coeff *
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improper_coeff *
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