Basis

Utility for constructing the basis passed to the libcint interface.

• Basis: Datastructures
• AtomCGTOBasis
  • AtomCGTOBasis.atomz
  • AtomCGTOBasis.bases
  • AtomCGTOBasis.pos
• CGTOBasis
  • CGTOBasis.alphas
  • CGTOBasis.angmom
  • CGTOBasis.coeffs
  • CGTOBasis.normalized
  • CGTOBasis.wfnormalize_()