GenConnectivity Recompute connectivity rather than using the information in the checkpoint file when usingGeom=AllCheck. ZMConnectivity Read connectivity using the atom numbering specified in the Z-matrix (including dummy atoms). Bond orders involving dummy atoms are discarded. ...
Explicitly provided connectivity. More... Public Member Functions inherited from geomDecomp geomDecomp (const word &derivedType, const dictionary &decompDict, int select=selectionType::DEFAULT) Construct for derived type name and decomposition dictionary. More... geomDecomp (const word &derivedType, ...