Psi4
Public Member Functions | Protected Member Functions | Protected Attributes | List of all members
psi::SchwarzSieve Class Reference

#include <schwarz.h>

Public Member Functions

 SchwarzSieve (std::shared_ptr< BasisSet >, double cutoff)
 
virtual ~SchwarzSieve ()
 
void form_schwarz_sieve (double cutoff)
 
unsigned long int get_nshell_pairs () const
 
unsigned long int get_nfun_pairs () const
 
int * get_schwarz_shells () const
 
int * get_schwarz_funs () const
 
long int * get_schwarz_shells_reverse () const
 
long int * get_schwarz_funs_reverse () const
 

Protected Member Functions

void form_schwarz_ints ()
 

Protected Attributes

double schwarz_
 
std::shared_ptr< BasisSetbasis_
 
bool initialized_
 
unsigned long int nshell_pairs_
 
unsigned long int nfun_pairs_
 
double max_global_val_
 
int * schwarz_shells_
 
int * schwarz_funs_
 
long int * schwarz_shells_reverse_
 
long int * schwarz_funs_reverse_
 
double * schwarz_shell_vals_
 
double * schwarz_fun_vals_
 

Constructor & Destructor Documentation

psi::SchwarzSieve::SchwarzSieve ( std::shared_ptr< BasisSet bas,
double  cutoff 
)
psi::SchwarzSieve::~SchwarzSieve ( )
virtual

Member Function Documentation

void psi::SchwarzSieve::form_schwarz_ints ( )
protected
void psi::SchwarzSieve::form_schwarz_sieve ( double  cutoff)
unsigned long int psi::SchwarzSieve::get_nfun_pairs ( ) const
inline
unsigned long int psi::SchwarzSieve::get_nshell_pairs ( ) const
inline
int* psi::SchwarzSieve::get_schwarz_funs ( ) const
inline
long int* psi::SchwarzSieve::get_schwarz_funs_reverse ( ) const
inline
int* psi::SchwarzSieve::get_schwarz_shells ( ) const
inline
long int* psi::SchwarzSieve::get_schwarz_shells_reverse ( ) const
inline

Member Data Documentation

std::shared_ptr<BasisSet> psi::SchwarzSieve::basis_
protected
bool psi::SchwarzSieve::initialized_
protected
double psi::SchwarzSieve::max_global_val_
protected
unsigned long int psi::SchwarzSieve::nfun_pairs_
protected
unsigned long int psi::SchwarzSieve::nshell_pairs_
protected
double psi::SchwarzSieve::schwarz_
protected
double* psi::SchwarzSieve::schwarz_fun_vals_
protected
int* psi::SchwarzSieve::schwarz_funs_
protected
long int* psi::SchwarzSieve::schwarz_funs_reverse_
protected
double* psi::SchwarzSieve::schwarz_shell_vals_
protected
int* psi::SchwarzSieve::schwarz_shells_
protected
long int* psi::SchwarzSieve::schwarz_shells_reverse_
protected

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