psi::GridBlocker Class Reference

#include <gridblocker.h>

Inheritance diagram for psi::GridBlocker:

Public Member Functions
	GridBlocker (const int npoints_ref, double const *x_ref, double const *y_ref, double const *z_ref, double const *w_ref, int const *index_ref, const int max_points, const int min_points, const double max_radius, std::shared_ptr< BasisExtents > extents)
virtual	~GridBlocker ()
virtual void	block ()=0
int	npoints () const
int	max_points () const
int	max_functions () const
double *	x () const
double *	y () const
double *	z () const
double *	w () const
int *	index () const
const std::vector < std::shared_ptr < BlockOPoints > > &	blocks () const
void	set_print (int print)
void	set_debug (int debug)
void	set_bench (int bench)

Protected Attributes
int	debug_
int	print_
int	bench_
const int	npoints_ref_
double const *	x_ref_
double const *	y_ref_
double const *	z_ref_
double const *	w_ref_
int const *	index_ref_
const size_t	tol_max_points_
const size_t	tol_min_points_
const double	tol_max_radius_
std::shared_ptr< BasisExtents >	extents_
int	npoints_
int	max_points_
int	max_functions_
double *	x_
double *	y_
double *	z_
double *	w_
int *	index_
std::vector< std::shared_ptr < BlockOPoints > >	blocks_

Detailed Description

Class to determine groupings of DFT grid points for efficient sparse evaluation of density

Constructor & Destructor Documentation

psi::GridBlocker::GridBlocker	(	const int	npoints_ref,
		double const *	x_ref,
		double const *	y_ref,
		double const *	z_ref,
		double const *	w_ref,
		int const *	index_ref,
		const int	max_points,
		const int	min_points,
		const double	max_radius,
		std::shared_ptr< BasisExtents >	extents
	)

psi::GridBlocker::~GridBlocker ( )

virtual

Member Function Documentation

virtual void psi::GridBlocker::block ( )

pure virtual

Implemented in psi::OctreeGridBlocker, and psi::NaiveGridBlocker.

const std::vector<std::shared_ptr<BlockOPoints> >& psi::GridBlocker::blocks ( ) const

inline

int* psi::GridBlocker::index ( ) const

inline

int psi::GridBlocker::max_functions ( ) const

inline

int psi::GridBlocker::max_points ( ) const

inline

int psi::GridBlocker::npoints ( ) const

inline

void psi::GridBlocker::set_bench ( int  bench )

inline

void psi::GridBlocker::set_debug ( int  debug )

inline

void psi::GridBlocker::set_print ( int  print )

inline

double* psi::GridBlocker::w ( ) const

inline

double* psi::GridBlocker::x ( ) const

inline

double* psi::GridBlocker::y ( ) const

inline

double* psi::GridBlocker::z ( ) const

inline

Member Data Documentation

int psi::GridBlocker::bench_

protected

std::vector<std::shared_ptr<BlockOPoints> > psi::GridBlocker::blocks_

protected

int psi::GridBlocker::debug_

protected

std::shared_ptr<BasisExtents> psi::GridBlocker::extents_

protected

int* psi::GridBlocker::index_

protected

int const* psi::GridBlocker::index_ref_

protected

int psi::GridBlocker::max_functions_

protected

int psi::GridBlocker::max_points_

protected

int psi::GridBlocker::npoints_

protected

const int psi::GridBlocker::npoints_ref_

protected

int psi::GridBlocker::print_

protected

const size_t psi::GridBlocker::tol_max_points_

protected

const double psi::GridBlocker::tol_max_radius_

protected

const size_t psi::GridBlocker::tol_min_points_

protected

double* psi::GridBlocker::w_

protected

double const* psi::GridBlocker::w_ref_

protected

double* psi::GridBlocker::x_

protected

double const* psi::GridBlocker::x_ref_

protected

double* psi::GridBlocker::y_

protected

double const* psi::GridBlocker::y_ref_

protected

double* psi::GridBlocker::z_

protected

double const* psi::GridBlocker::z_ref_

protected

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

• gridblocker.h
• cubature.cc