occ::isosurface::XCDensityFunctor Struct Reference

#include <point_functors.h>

Collaboration diagram for occ::isosurface::XCDensityFunctor:

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

Public Attributes
const Wavefunction &	wfn
dft::DFT	ks

Constructor & Destructor Documentation

XCDensityFunctor()

occ::isosurface::XCDensityFunctor::XCDensityFunctor	(	const Wavefunction &	wfn,
		const std::string &	functional,
		SpinConstraint	= SpinConstraint::Total
	)

Member Function Documentation

operator()()

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

Member Data Documentation

ks

dft::DFT occ::isosurface::XCDensityFunctor::ks

wfn

const Wavefunction& occ::isosurface::XCDensityFunctor::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