Loading doc/src/molecule.rst +13 −3 Original line number Diff line number Diff line Loading @@ -170,7 +170,7 @@ internally. These are the allowed section keywords for the body of the file. * *Coords, Types, Charges, Diameters, Masses* = atom-property sections * *Coords, Types, Molecules, Charges, Diameters, Masses* = atom-property sections * *Bonds, Angles, Dihedrals, Impropers* = molecular topology sections * *Special Bond Counts, Special Bonds* = special neighbor info * *Shake Flags, Shake Atoms, Shake Bond Types* = SHAKE info Loading Loading @@ -233,6 +233,16 @@ listed in order from 1 to Nlines, but LAMMPS does not check for this. ---------- *Molecules* section: * one line per atom * line syntax: ID molecule-ID * molecule-ID = molecule ID of atom ---------- *Charges* section: * one line per atom Loading Loading
doc/src/molecule.rst +13 −3 Original line number Diff line number Diff line Loading @@ -170,7 +170,7 @@ internally. These are the allowed section keywords for the body of the file. * *Coords, Types, Charges, Diameters, Masses* = atom-property sections * *Coords, Types, Molecules, Charges, Diameters, Masses* = atom-property sections * *Bonds, Angles, Dihedrals, Impropers* = molecular topology sections * *Special Bond Counts, Special Bonds* = special neighbor info * *Shake Flags, Shake Atoms, Shake Bond Types* = SHAKE info Loading Loading @@ -233,6 +233,16 @@ listed in order from 1 to Nlines, but LAMMPS does not check for this. ---------- *Molecules* section: * one line per atom * line syntax: ID molecule-ID * molecule-ID = molecule ID of atom ---------- *Charges* section: * one line per atom Loading
