Expand description
Items to assist with integral evaluations on atomic-orbital basis functions.
Structs§
- Basis
Set - Structure to manage basis information for a molecule.
- Basis
Shell Contraction - Structure to handle all shell information for integrals.
- Basis
Shell Contraction Builder - Builder for
BasisShellContraction. - Gaussian
Contraction - Structure to handle primitives in a Gaussian contraction.
- Gaussian
Contraction Builder - Builder for
GaussianContraction.
Enums§
- Basis
Shell Contraction Builder Error - Error type for BasisShellContractionBuilder
- Gaussian
Contraction Builder Error - Error type for GaussianContractionBuilder