Created PyLammps documentation
Based on material presented during MD Workshop at Temple University in August 2016.
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34
python/examples/pylammps/dihedrals/data.dihedral
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34
python/examples/pylammps/dihedrals/data.dihedral
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4 atoms
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0 bonds
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0 angles
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1 dihedrals
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0 impropers
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1 atom types
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0 bond types
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0 angle types
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1 dihedral types
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0 improper types
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-5.0 5.0 xlo xhi
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-5.0 5.0 ylo yhi
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-5.0 5.0 zlo zhi
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0.0 0.0 0.0 xy xz yz
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Atoms # molecular
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1 1 1 -1.00000 1.00000 0.00000
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2 1 1 -0.50000 0.00000 0.00000
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3 1 1 0.50000 0.00000 0.00000
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4 1 1 1.00000 1.00000 0.00000
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Dihedral Coeffs
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1 80.0 1 2
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Dihedrals
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1 1 1 2 3 4
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1168
python/examples/pylammps/dihedrals/dihedral.ipynb
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1168
python/examples/pylammps/dihedrals/dihedral.ipynb
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