occ::main::ElectronDensityFunctor Struct Reference

#include <point_functors.h>

Collaboration diagram for occ::main::ElectronDensityFunctor:

Public Member Functions
	ElectronDensityFunctor (const Wavefunction &wfn, SpinConstraint spin=SpinConstraint::Total)
void	operator() (Eigen::Ref< const Mat3N > points, Eigen::Ref< Vec > dest)

Public Attributes
const Wavefunction &	wfn
SpinConstraint	spin {SpinConstraint::Total}
int	mo_index {-1}

Constructor & Destructor Documentation

ElectronDensityFunctor()

occ::main::ElectronDensityFunctor::ElectronDensityFunctor	(	const Wavefunction &	wfn,
		SpinConstraint	spin = SpinConstraint::Total
	)

Member Function Documentation

operator()()

void occ::main::ElectronDensityFunctor::operator()	(	Eigen::Ref< const Mat3N >	points,
		Eigen::Ref< Vec >	dest
	)

Member Data Documentation

mo_index

int occ::main::ElectronDensityFunctor::mo_index {-1}

spin

SpinConstraint occ::main::ElectronDensityFunctor::spin {SpinConstraint::Total}

wfn

const Wavefunction& occ::main::ElectronDensityFunctor::wfn

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

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