Update molecule.rst
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@ -15,9 +15,9 @@ Syntax
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* file1,file2,... = names of files containing molecule descriptions
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* zero or more keyword/value pairs may be appended after each file
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* keyword = *offset* or *toff* or *boff* or *aoff* or *doff* or *ioff* or *scale*
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.. parsed-literal::
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*offset* values = Toff Boff Aoff Doff Ioff
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Toff = offset to add to atom types
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Boff = offset to add to bond types
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@ -170,7 +170,7 @@ internally.
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These are the allowed section keywords for the body of the file.
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* *Coords, Types, Charges, Diameters, Masses* = atom-property sections
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* *Coords, Types, Molecules, Charges, Diameters, Masses* = atom-property sections
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* *Bonds, Angles, Dihedrals, Impropers* = molecular topology sections
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* *Special Bond Counts, Special Bonds* = special neighbor info
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* *Shake Flags, Shake Atoms, Shake Bond Types* = SHAKE info
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@ -233,6 +233,16 @@ listed in order from 1 to Nlines, but LAMMPS does not check for this.
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----------
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*Molecules* section:
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* one line per atom
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* line syntax: ID molecule-ID
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* molecule-ID = molecule ID of atom
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----------
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*Charges* section:
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* one line per atom
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