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AvogadroLibs
1.95.1
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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 |
1.8.14