occ::dft::DensityFunctional::Result Struct Reference

#include <functional.h>

Collaboration diagram for occ::dft::DensityFunctional::Result:

Public Member Functions
	Result (size_t npt, Family family, SpinorbitalKind kind)
Result &	operator+= (const Result &right)
void	weight_by (const Vec &weights)

Public Attributes
size_t	npts {0}
bool	have_vsigma {false}
bool	have_vtau {false}
Vec	exc
MatRM	vrho
MatRM	vsigma
MatRM	vlaplacian
MatRM	vtau

Constructor & Destructor Documentation

Result()

occ::dft::DensityFunctional::Result::Result ( size_t  npt, Family  family, SpinorbitalKind  kind  )

inline

Member Function Documentation

operator+=()

Result & occ::dft::DensityFunctional::Result::operator+= ( const Result &  right )

inline

weight_by()

void occ::dft::DensityFunctional::Result::weight_by ( const Vec &  weights )

inline

Member Data Documentation

exc

Vec occ::dft::DensityFunctional::Result::exc

have_vsigma

bool occ::dft::DensityFunctional::Result::have_vsigma {false}

have_vtau

bool occ::dft::DensityFunctional::Result::have_vtau {false}

npts

size_t occ::dft::DensityFunctional::Result::npts {0}

vlaplacian

MatRM occ::dft::DensityFunctional::Result::vlaplacian

vrho

MatRM occ::dft::DensityFunctional::Result::vrho

vsigma

MatRM occ::dft::DensityFunctional::Result::vsigma

vtau

MatRM occ::dft::DensityFunctional::Result::vtau

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The documentation for this struct was generated from the following file:

• /home/runner/work/occ/occ/include/occ/dft/functional.h