Psi4
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psi::SOShellCombinationsIterator Class Reference

#include <integral.h>

Classes

struct  ShellQuartet
 

Public Member Functions

 SOShellCombinationsIterator (std::shared_ptr< SOBasisSet >bs1, std::shared_ptr< SOBasisSet >bs2, std::shared_ptr< SOBasisSet >bs3, std::shared_ptr< SOBasisSet >bs4)
 
 SOShellCombinationsIterator ()
 
void init (std::shared_ptr< SOBasisSet >bs1, std::shared_ptr< SOBasisSet >bs2, std::shared_ptr< SOBasisSet >bs3, std::shared_ptr< SOBasisSet >bs4)
 
void first ()
 
void next ()
 
bool is_done ()
 
int p () const
 
int q () const
 
int r () const
 
int s () const
 
int end_of_PK () const
 

Private Attributes

ShellQuartet current
 
int usi_arr [3]
 
int usj_arr [3]
 
int usk_arr [3]
 
int usl_arr [3]
 
int usii
 
int usjj
 
int uskk
 
int usll
 
int upk
 
int num_unique_pk
 
bool done
 
std::shared_ptr< SOBasisSetbs1_
 
std::shared_ptr< SOBasisSetbs2_
 
std::shared_ptr< SOBasisSetbs3_
 
std::shared_ptr< SOBasisSetbs4_
 

Constructor & Destructor Documentation

SOShellCombinationsIterator::SOShellCombinationsIterator ( std::shared_ptr< SOBasisSet bs1,
std::shared_ptr< SOBasisSet bs2,
std::shared_ptr< SOBasisSet bs3,
std::shared_ptr< SOBasisSet bs4 
)
SOShellCombinationsIterator::SOShellCombinationsIterator ( )

Member Function Documentation

int psi::SOShellCombinationsIterator::end_of_PK ( ) const
inline
void SOShellCombinationsIterator::first ( )
void SOShellCombinationsIterator::init ( std::shared_ptr< SOBasisSet bs1,
std::shared_ptr< SOBasisSet bs2,
std::shared_ptr< SOBasisSet bs3,
std::shared_ptr< SOBasisSet bs4 
)
bool psi::SOShellCombinationsIterator::is_done ( )
inline
void SOShellCombinationsIterator::next ( )
int psi::SOShellCombinationsIterator::p ( ) const
inline
int psi::SOShellCombinationsIterator::q ( ) const
inline
int psi::SOShellCombinationsIterator::r ( ) const
inline
int psi::SOShellCombinationsIterator::s ( ) const
inline

Member Data Documentation

std::shared_ptr<SOBasisSet> psi::SOShellCombinationsIterator::bs1_
private
std::shared_ptr<SOBasisSet> psi::SOShellCombinationsIterator::bs2_
private
std::shared_ptr<SOBasisSet> psi::SOShellCombinationsIterator::bs3_
private
std::shared_ptr<SOBasisSet> psi::SOShellCombinationsIterator::bs4_
private
ShellQuartet psi::SOShellCombinationsIterator::current
private
bool psi::SOShellCombinationsIterator::done
private
int psi::SOShellCombinationsIterator::num_unique_pk
private
int psi::SOShellCombinationsIterator::upk
private
int psi::SOShellCombinationsIterator::usi_arr[3]
private
int psi::SOShellCombinationsIterator::usii
private
int psi::SOShellCombinationsIterator::usj_arr[3]
private
int psi::SOShellCombinationsIterator::usjj
private
int psi::SOShellCombinationsIterator::usk_arr[3]
private
int psi::SOShellCombinationsIterator::uskk
private
int psi::SOShellCombinationsIterator::usl_arr[3]
private
int psi::SOShellCombinationsIterator::usll
private

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