Module qsym2::target::orbital

Orbitals.

Modules

• orbital_analysis
  Implementation of symmetry analysis for orbitals.

Structs

• MolecularOrbital
  Structure to manage molecular orbitals. Each molecular orbital is essentially a one-electron Slater determinant.
• MolecularOrbitalBuilder
  Builder for MolecularOrbital.

Enums

• MolecularOrbitalBuilderError
  Error type for MolecularOrbitalBuilder