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MPQC
3.0.0-alpha
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Modules | |
| mpqc.Chemistry.ElectronicStructure.NBody | |
| mpqc.Chemistry.ElectronicStructure.OneBody | |
| mpqc.Chemistry.ElectronicStructure.Spin | |
| mpqc.Chemistry.ElectronicStructure.TAWFN | |
Classes | |
| class | sc::RDMCumulant< R > |
| RDMCumulant<R> is a reduced density matrix cumulant of rank R. More... | |
| class | sc::RDM< R > |
| RDM<R> is a reduced density matrix of rank R. More... | |
| class | sc::RDM< Zero > |
| this specialization is needed to make RDM<R>::rdm_m_1() work More... | |
| class | sc::SpinFreeRDM< R > |
| SpinFreeRDM<R> is a spin-free reduced density matrix of rank R. More... | |
| class | sc::SpinFreeRDM< Zero > |
| this specialization is needed to make SpinFreeRDM<R>::rdm_m_1() work More... | |
| class | sc::OBWfnRDMTwo |
| OBWfnRDMTwo is a 2-RDM from a OneBodyWavefunction. More... | |
| class | sc::OBWfnRDMCumulantTwo |
| OBWfnRDMCumulantTwo is the cumulant of OBWfnRDMTwo. More... | |
| class | sc::OBWfnRDMOne |
| OBWfnRDMOne is a 1-RDM from a OneBodyWavefunction. More... | |
| class | sc::Wavefunction |
| A Wavefunction is a MolecularEnergy that utilizies a GaussianBasisSet. More... | |
Classes/functions related to state of electrons in Molecule.