occ::isosurface::DeformationDensityFunctor Struct Reference

#include <point_functors.h>

Collaboration diagram for occ::isosurface::DeformationDensityFunctor:

Public Member Functions
	DeformationDensityFunctor (const occ::core::Molecule &mol, const occ::qm::Wavefunction &wfn, const occ::slater::InterpolatorParams &params={})
void	batch (Eigen::Ref< const FMat3N > pos, Eigen::Ref< FVec > layer) const
int	num_calls () const
	DeformationDensityFunctor (const Wavefunction &wfn, SpinConstraint=SpinConstraint::Total)
void	operator() (Eigen::Ref< const Mat3N > points, Eigen::Ref< Vec > dest)

Public Attributes
PromolDensityFunctor	pro_func
ElectronDensityFunctor	rho_func

Constructor & Destructor Documentation

DeformationDensityFunctor() [1/2]

occ::isosurface::DeformationDensityFunctor::DeformationDensityFunctor	(	const occ::core::Molecule &	mol,
		const occ::qm::Wavefunction &	wfn,
		const occ::slater::InterpolatorParams &	params = {}
	)

DeformationDensityFunctor() [2/2]

occ::isosurface::DeformationDensityFunctor::DeformationDensityFunctor	(	const Wavefunction &	wfn,
		SpinConstraint	= SpinConstraint::Total
	)

Member Function Documentation

batch()

void occ::isosurface::DeformationDensityFunctor::batch ( Eigen::Ref< const FMat3N >  pos, Eigen::Ref< FVec >  layer  ) const

inline

num_calls()

int occ::isosurface::DeformationDensityFunctor::num_calls ( ) const

inline

operator()()

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

Member Data Documentation

pro_func

PromolDensityFunctor occ::isosurface::DeformationDensityFunctor::pro_func

rho_func

ElectronDensityFunctor occ::isosurface::DeformationDensityFunctor::rho_func

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

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