MPQC 2.3.1
Public Member Functions | Protected Attributes | List of all members
sc::CartesianIter Class Referenceabstract

CartesianIter gives the ordering of the Cartesian functions within a shell for the particular integrals specialization. More...

#include <cartiter.h>

Inheritance diagram for sc::CartesianIter:
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Public Member Functions

 CartesianIter (int l)
 Initialize an iterator for the given angular momentum.
 
virtual void start ()=0
 Start the iteration. More...
 
virtual void next ()=0
 Move to the next Cartesian function. More...
 
virtual operator int ()=0
 Returns nonzero if the iterator currently hold valid data. More...
 
int n ()
 Returns the number of Cartesian functions.
 
int a ()
 Returns the exponent of x.
 
int b ()
 Returns the exponent of y.
 
int c ()
 Returns the exponent of z.
 
int l ()
 Returns the angular momentum.
 
int l (int i)
 Returns a() if i==0, b() if i==1, and c() if i==2.
 
int bfn ()
 Returns the number of the current basis function within the shell. More...
 

Protected Attributes

int a_
 
int b_
 
int c_
 
int l_
 
int bfn_
 

Detailed Description

CartesianIter gives the ordering of the Cartesian functions within a shell for the particular integrals specialization.

Member Function Documentation

◆ bfn()

int sc::CartesianIter::bfn ( )
inline

Returns the number of the current basis function within the shell.

This starts at 0 and sequentially increases as next() is called.

◆ next()

virtual void sc::CartesianIter::next ( )
pure virtual

Move to the next Cartesian function.

Implemented in MPQC::CartesianIterCCA, sc::CartesianIterCints, sc::CartesianIterCCA, and sc::CartesianIterV3.

◆ operator int()

virtual sc::CartesianIter::operator int ( )
pure virtual

Returns nonzero if the iterator currently hold valid data.

Implemented in MPQC::CartesianIterCCA, sc::CartesianIterCints, sc::CartesianIterCCA, and sc::CartesianIterV3.

◆ start()

virtual void sc::CartesianIter::start ( )
pure virtual

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

Generated at Thu Jul 21 2022 00:00:00 for MPQC 2.3.1 using the documentation package Doxygen 1.9.5.