occ::qm::orb Namespace Reference

Functions
auto	occupied_restricted (Eigen::Ref< const Mat > orbitals, size_t num_occ)
auto	occupied_restricted_fractional (Eigen::Ref< const Mat > orbitals, Eigen::Ref< const Vec > occupations)
auto	occupied_unrestricted (Eigen::Ref< const Mat > orbitals, size_t num_alpha, size_t num_beta)
auto	occupied_unrestricted_fractional (Eigen::Ref< const Mat > orbitals, Eigen::Ref< const Vec > occupations)
auto	weighted_density_matrix_restricted (Eigen::Ref< const Mat > orbitals, Eigen::Ref< const Vec > weights)
auto	weighted_density_matrix_unrestricted (Eigen::Ref< const Mat > orbitals, Eigen::Ref< const Vec > weights)
auto	density_matrix_restricted (Eigen::Ref< const Mat > occupied_orbitals)
auto	density_matrix_unrestricted (Eigen::Ref< const Mat > occupied_orbitals, size_t num_alpha, size_t num_beta)
auto	density_matrix_general (Eigen::Ref< const Mat > occupied_orbitals)

Function Documentation

density_matrix_general()

auto occ::qm::orb::density_matrix_general ( Eigen::Ref< const Mat >  occupied_orbitals )

inline

density_matrix_restricted()

auto occ::qm::orb::density_matrix_restricted ( Eigen::Ref< const Mat >  occupied_orbitals )

inline

density_matrix_unrestricted()

auto occ::qm::orb::density_matrix_unrestricted ( Eigen::Ref< const Mat >  occupied_orbitals, size_t  num_alpha, size_t  num_beta  )

inline

occupied_restricted()

auto occ::qm::orb::occupied_restricted ( Eigen::Ref< const Mat >  orbitals, size_t  num_occ  )

inline

occupied_restricted_fractional()

auto occ::qm::orb::occupied_restricted_fractional ( Eigen::Ref< const Mat >  orbitals, Eigen::Ref< const Vec >  occupations  )

inline

occupied_unrestricted()

auto occ::qm::orb::occupied_unrestricted ( Eigen::Ref< const Mat >  orbitals, size_t  num_alpha, size_t  num_beta  )

inline

occupied_unrestricted_fractional()

auto occ::qm::orb::occupied_unrestricted_fractional ( Eigen::Ref< const Mat >  orbitals, Eigen::Ref< const Vec >  occupations  )

inline

weighted_density_matrix_restricted()

auto occ::qm::orb::weighted_density_matrix_restricted ( Eigen::Ref< const Mat >  orbitals, Eigen::Ref< const Vec >  weights  )

inline

weighted_density_matrix_unrestricted()

auto occ::qm::orb::weighted_density_matrix_unrestricted ( Eigen::Ref< const Mat >  orbitals, Eigen::Ref< const Vec >  weights  )

inline