occ::isosurface::ElectronDensityFunctor Class Reference

#include <electron_density.h>

Public Member Functions
	ElectronDensityFunctor (const occ::qm::Wavefunction &wfn, int mo_index=-1)
void	batch (Eigen::Ref< const FMat3N > pos, Eigen::Ref< FVec > layer) const
int	num_calls () const
void	set_orbital_index (int idx)
int	orbital_index () const

Constructor & Destructor Documentation

ElectronDensityFunctor()

occ::isosurface::ElectronDensityFunctor::ElectronDensityFunctor	(	const occ::qm::Wavefunction &	wfn,
		int	mo_index = -1 )

Member Function Documentation

batch()

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

inline

num_calls()

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

inline

orbital_index()

int occ::isosurface::ElectronDensityFunctor::orbital_index ( ) const

inline

set_orbital_index()

void occ::isosurface::ElectronDensityFunctor::set_orbital_index

(

int

idx

)

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

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