occ
|
Namespaces | |
namespace | occ |
namespace | occ::qm |
quantum mechanics/quantum chemistry functionality including Hartree-Fock and more | |
namespace | occ::qm::guess |
Functions | |
int | occ::qm::guess::minimal_basis_nao (int Z, bool spherical) |
std::vector< double > | occ::qm::guess::minimal_basis_occupation_vector (size_t Z, bool spherical) |