spinorbital.h File Reference

#include <occ/core/linear_algebra.h>
#include <occ/core/util.h>
#include <occ/qm/opmatrix.h>

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Namespaces
namespace	occ
namespace	occ::qm
	quantum mechanics/quantum chemistry functionality including Hartree-Fock and more

Enumerations
enum	occ::qm::SpinorbitalKind { occ::qm::Restricted , occ::qm::Unrestricted , occ::qm::General }

Functions
bool	occ::qm::get_spinorbital_kind_from_string (const std::string &s, SpinorbitalKind &sk)
constexpr const char *	occ::qm::spinorbital_kind_to_string (const SpinorbitalKind &sk)
template<SpinorbitalKind kind>
constexpr std::pair< size_t, size_t >	occ::qm::matrix_dimensions (size_t nbf)
constexpr std::pair< size_t, size_t >	occ::qm::matrix_dimensions (SpinorbitalKind kind, size_t nbf)