Psi4
Public Member Functions | Private Member Functions | Private Attributes | List of all members
psi::pk::AOFctSieveIterator Class Reference

#include <PK_workers.h>

Public Member Functions

 AOFctSieveIterator (const GaussianShell &s1, const GaussianShell &s2, const GaussianShell &s3, const GaussianShell &s4, std::shared_ptr< ERISieve > siev)
 Constructor. More...
 
void first ()
 Iterator functions. More...
 
void next ()
 
bool is_done ()
 
int i () const
 
int j () const
 
int k () const
 
int l () const
 

Private Member Functions

void populate_indices ()
 
void increment_bra ()
 
void increment_ket ()
 
void reorder_inds ()
 

Private Attributes

std::shared_ptr< ERISievesieve_
 
int i_
 
int j_
 
int k_
 
int l_
 
int irel_
 
int jrel_
 
int krel_
 
int lrel_
 
const GaussianShellusi_
 
const GaussianShellusj_
 
const GaussianShellusk_
 
const GaussianShellusl_
 
int ni_
 
int nj_
 
int nk_
 
int nl_
 
int fi_
 
int fj_
 
int fk_
 
int fl_
 
int maxi_
 
int maxj_
 
int maxk_
 
int maxl_
 
bool done_
 
bool sh_aaaa_
 
bool sh_abab_
 

Detailed Description

AOFctSieveIterator: provides an iterator over significant functions for a specific shell quartet, using an ERISieve object.

Constructor & Destructor Documentation

psi::pk::AOFctSieveIterator::AOFctSieveIterator ( const GaussianShell s1,
const GaussianShell s2,
const GaussianShell s3,
const GaussianShell s4,
std::shared_ptr< ERISieve siev 
)

Constructor.

Member Function Documentation

void psi::pk::AOFctSieveIterator::first ( )

Iterator functions.

int psi::pk::AOFctSieveIterator::i ( ) const
inline
void psi::pk::AOFctSieveIterator::increment_bra ( )
private
void psi::pk::AOFctSieveIterator::increment_ket ( )
private
bool psi::pk::AOFctSieveIterator::is_done ( )
inline
int psi::pk::AOFctSieveIterator::j ( ) const
inline
int psi::pk::AOFctSieveIterator::k ( ) const
inline
int psi::pk::AOFctSieveIterator::l ( ) const
inline
void psi::pk::AOFctSieveIterator::next ( )
void psi::pk::AOFctSieveIterator::populate_indices ( )
private
void psi::pk::AOFctSieveIterator::reorder_inds ( )
private

Member Data Documentation

bool psi::pk::AOFctSieveIterator::done_
private
int psi::pk::AOFctSieveIterator::fi_
private
int psi::pk::AOFctSieveIterator::fj_
private
int psi::pk::AOFctSieveIterator::fk_
private
int psi::pk::AOFctSieveIterator::fl_
private
int psi::pk::AOFctSieveIterator::i_
private
int psi::pk::AOFctSieveIterator::irel_
private
int psi::pk::AOFctSieveIterator::j_
private
int psi::pk::AOFctSieveIterator::jrel_
private
int psi::pk::AOFctSieveIterator::k_
private
int psi::pk::AOFctSieveIterator::krel_
private
int psi::pk::AOFctSieveIterator::l_
private
int psi::pk::AOFctSieveIterator::lrel_
private
int psi::pk::AOFctSieveIterator::maxi_
private
int psi::pk::AOFctSieveIterator::maxj_
private
int psi::pk::AOFctSieveIterator::maxk_
private
int psi::pk::AOFctSieveIterator::maxl_
private
int psi::pk::AOFctSieveIterator::ni_
private
int psi::pk::AOFctSieveIterator::nj_
private
int psi::pk::AOFctSieveIterator::nk_
private
int psi::pk::AOFctSieveIterator::nl_
private
bool psi::pk::AOFctSieveIterator::sh_aaaa_
private
bool psi::pk::AOFctSieveIterator::sh_abab_
private
std::shared_ptr<ERISieve> psi::pk::AOFctSieveIterator::sieve_
private
const GaussianShell& psi::pk::AOFctSieveIterator::usi_
private
const GaussianShell& psi::pk::AOFctSieveIterator::usj_
private
const GaussianShell& psi::pk::AOFctSieveIterator::usk_
private
const GaussianShell& psi::pk::AOFctSieveIterator::usl_
private

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