occ::isosurface::MCDeformationDensityFunctor Class Reference

#include <deformation_density.h>

Public Member Functions
	MCDeformationDensityFunctor (const occ::core::Molecule &mol, const occ::qm::Wavefunction &wfn, float sep, const occ::slater::InterpolatorParams &params={})
void	remap_vertices (const std::vector< float > &v, std::vector< float > &dest) const
void	batch (Eigen::Ref< const FMat3N > pos, Eigen::Ref< FVec > layer) const
const auto &	side_length () const
Eigen::Vector3i	cubes_per_side () const
void	set_isovalue (float iso)
const auto &	origin () const
int	num_calls () const

Constructor & Destructor Documentation

MCDeformationDensityFunctor()

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

Member Function Documentation

batch()

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

inline

cubes_per_side()

Eigen::Vector3i occ::isosurface::MCDeformationDensityFunctor::cubes_per_side ( ) const

inline

num_calls()

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

inline

origin()

const auto & occ::isosurface::MCDeformationDensityFunctor::origin ( ) const

inline

remap_vertices()

void occ::isosurface::MCDeformationDensityFunctor::remap_vertices ( const std::vector< float > & v, std::vector< float > & dest ) const

inline

set_isovalue()

void occ::isosurface::MCDeformationDensityFunctor::set_isovalue ( float iso )

inline

side_length()

const auto & occ::isosurface::MCDeformationDensityFunctor::side_length ( ) const

inline

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

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