File utils.hpp

↰ Parent directory (src/utils)

Definition (src/utils/utils.hpp)

• Program Listing for File utils.hpp

Includes

• linalg.hpp (File linalg.hpp)

• vector

Included By

• File libuw12.hpp

• File four_electron_utils.hpp

• File integrals.hpp

• File transformations.hpp

• File direct_utils.hpp

• File two_electron.hpp

• File uw12.hpp

Namespaces

• Namespace uw12

• Namespace uw12::utils

Classes

• Struct FockMatrixAndEnergy

Functions

• Function uw12::utils::construct_density

• Function uw12::utils::freeze_core

• Function uw12::utils::lower

• Template Function uw12::utils::nearly_zero

• Function uw12::utils::occupation_weighted_orbitals

• Function uw12::utils::operator*(const MatVec&, const double)

• Function uw12::utils::operator*(const double, const MatVec&)

• Function uw12::utils::operator*(const FockMatrixAndEnergy&, const double)

• Function uw12::utils::operator*(const double, const FockMatrixAndEnergy&)

• Function uw12::utils::operator+(MatVec, const MatVec&)

• Function uw12::utils::operator+(FockMatrixAndEnergy, const FockMatrixAndEnergy&)

• Function uw12::utils::operator+=(MatVec&, const MatVec&)

• Function uw12::utils::operator+=(FockMatrixAndEnergy&, const FockMatrixAndEnergy&)

• Template Function uw12::utils::spin_channels

• Function uw12::utils::square

• Function uw12::utils::symmetrise_fock

Typedefs

• Typedef uw12::utils::DensityMatrix

• Typedef uw12::utils::FockMatrix

• Typedef uw12::utils::MatVec

• Typedef uw12::utils::Occupations

• Typedef uw12::utils::OccupationVector

• Typedef uw12::utils::Orbitals