AddAtomBasis(atombasistype model, atom *pAtom) | MolSys::structure | |
AddGroup(int NumberOfElectrons,\int SpinMultiplicity,\string Treatment,\vector< atom * > Touches,\vector< oes * > subspace) | MolSys::structure | |
AddShell(int n, atom *pAtom) | MolSys::structure | |
AddSubshell(int n, int l, atom *pAtom) | MolSys::structure | |
Energy | MolSys::structure | |
GetpCAO(int n, int l, int m, atom *pAtom) | MolSys::structure | |
NumberOfAtomicOrbitals | MolSys::structure | |
pAOBasis | MolSys::structure | |
pGroups | MolSys::structure | |
SpinMultiplicity | MolSys::structure | |
structure(void) | MolSys::structure | |
~structure(void) | MolSys::structure |