occ::isosurface::pointwise::MOFunctor Struct Reference

#include <point_functors.h>

Collaboration diagram for occ::isosurface::pointwise::MOFunctor:

Public Member Functions
	MOFunctor (const Wavefunction &wfn, int mo_index, SpinComponent spin=SpinComponent::Total, bool squared=false)
void	operator() (Eigen::Ref< const Mat3N > points, Eigen::Ref< Vec > dest)

Public Attributes
const Wavefunction &	wfn
int	mo_index {0}
SpinComponent	spin {SpinComponent::Total}
bool	squared {false}

Constructor & Destructor Documentation

MOFunctor()

occ::isosurface::pointwise::MOFunctor::MOFunctor	(	const Wavefunction &	wfn,
		int	mo_index,
		SpinComponent	spin = SpinComponent::Total,
		bool	squared = false )

Member Function Documentation

operator()()

void occ::isosurface::pointwise::MOFunctor::operator()	(	Eigen::Ref< const Mat3N >	points,
		Eigen::Ref< Vec >	dest )

Member Data Documentation

mo_index

int occ::isosurface::pointwise::MOFunctor::mo_index {0}

spin

SpinComponent occ::isosurface::pointwise::MOFunctor::spin {SpinComponent::Total}

squared

bool occ::isosurface::pointwise::MOFunctor::squared {false}

wfn

const Wavefunction& occ::isosurface::pointwise::MOFunctor::wfn

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

• /home/runner/work/occ/occ/include/occ/isosurface/point_functors.h