AvogadroLibs 1.97.0
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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 =0 | BasisSet | pure virtual |
electronCount(ElectronType type=Paired) const | BasisSet | |
ElectronType enum name | BasisSet | |
homo(unsigned int n) | BasisSet | |
homo() const | BasisSet | |
isValid()=0 | BasisSet | pure virtual |
lumo(unsigned int n) | BasisSet | |
lumo() const | BasisSet | |
m_electrons | BasisSet | protected |
m_molecule | BasisSet | protected |
m_name | BasisSet | protected |
m_theoryName | BasisSet | protected |
molecularOrbitalCount(ElectronType type=Paired)=0 | BasisSet | pure virtual |
molecule() | BasisSet | |
molecule() const (defined in BasisSet) | BasisSet | |
name() const | BasisSet | |
Paired enum value (defined in BasisSet) | BasisSet | |
setElectronCount(unsigned int n, ElectronType type=Paired) | BasisSet | virtual |
setMolecule(Molecule *molecule_) | BasisSet | |
setName(const std::string &name) | BasisSet | |
setTheoryName(const std::string &name) | BasisSet | |
theoryName() const | BasisSet | |
~BasisSet() | BasisSet | virtual |