Expand description
Orbitals.
Modules§
- orbital_
analysis - Implementation of symmetry analysis for orbitals.
Structs§
- Molecular
Orbital - Structure to manage molecular orbitals. Each molecular orbital is essentially a one-electron Slater determinant.
- Molecular
Orbital Builder - Builder for
MolecularOrbital.
Enums§
- Molecular
Orbital Builder Error - Error type for MolecularOrbitalBuilder