AvogadroLibs  1.96.0
BasisSet Member List

This is the complete list of members for BasisSet, including all inherited members.

Alpha enum value (defined in BasisSet)BasisSet
BasisSet()BasisSet
Beta enum value (defined in BasisSet)BasisSet
clone() const =0BasisSetpure virtual
electronCount(ElectronType type=Paired) constBasisSet
ElectronType enum nameBasisSet
homo(unsigned int n)BasisSet
homo() constBasisSet
isValid()=0BasisSetpure virtual
lumo(unsigned int n)BasisSet
lumo() constBasisSet
m_electronsBasisSetprotected
m_moleculeBasisSetprotected
m_nameBasisSetprotected
m_theoryNameBasisSetprotected
molecularOrbitalCount(ElectronType type=Paired)=0BasisSetpure virtual
molecule()BasisSet
molecule() const (defined in BasisSet)BasisSet
name() constBasisSet
Paired enum value (defined in BasisSet)BasisSet
setElectronCount(unsigned int n, ElectronType type=Paired)BasisSetvirtual
setMolecule(Molecule *molecule_)BasisSet
setName(const std::string &name)BasisSet
setTheoryName(const std::string &name)BasisSet
theoryName() constBasisSet
~BasisSet()BasisSetvirtual