#include <occ/core/linear_algebra.h>
#include <occ/core/spinorbital.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 class	occ::qm::SpinComponent { occ::qm::Total , occ::qm::Alpha , occ::qm::Beta }
enum	occ::qm::SpinorbitalKind
	Spin treatment for molecular orbitals / SCF. More...

Functions
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)
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)

Namespaces

Enumerations