Psi4
Public Member Functions | Protected Attributes | List of all members
psi::GridBlocker Class Referenceabstract

#include <gridblocker.h>

Inheritance diagram for psi::GridBlocker:
psi::NaiveGridBlocker psi::OctreeGridBlocker

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< BasisExtentsextents_
 
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
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

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