Expand description
Basis for configuration interaction of Slater determinants.
Modules§
- basis_
metric - Traits for defining metrics in bases.
- basis_
orbit - Implementation of orbit behaviours for bases.
Structs§
- Eager
Basis - Basis defined by specifying all of its elements explicitly.
- Eager
Basis Builder - Builder for
EagerBasis. - FCIBasis
- Basis defined by a reference Slater determinant $
\Psi_0$ and its replacement determinants specified by occupation patterns. - FCIBasis
Builder - Builder for
FCIBasis. - FCIBasis
Iterator - Lazy iterator for full-configuration-interaction basis.
- FCIBasis
Iterator Builder - Builder for
FCIBasisIterator. - Orbit
Basis - Basis defined by a set of origins $
\{\mathbf{w}_I\}$ and a group $\mathcal{G} = \{g_i\}$. - Orbit
Basis Builder - Builder for
OrbitBasis. - Orbit
Basis Iterator - Lazy iterator for basis constructed from the concatenation of orbits generated from multiple origins.
Enums§
- Eager
Basis Builder Error - Error type for EagerBasisBuilder
- FCIBasis
Builder Error - Error type for FCIBasisBuilder
- FCIBasis
Iterator Builder Error - Error type for FCIBasisIteratorBuilder
- Orbit
Basis Builder Error - Error type for OrbitBasisBuilder
Traits§
- Basis
- Trait defining behaviours of a basis consisting of linear-space items.