sc::cartesianiter(3)

NAME

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

SYNOPSIS

#include <cartiter.h>
Inherited by MPQC::CartesianIterCCA, sc::CartesianIterCCA,
sc::CartesianIterCints, and sc::CartesianIterV3.
Public Member Functions
CartesianIter (int l)
    Initialize an iterator for the given angular momentum.
virtual void start ()=0
    Start the iteration.
virtual void next ()=0
    Move to the next Cartesian function.
virtual operator int ()=0
    Returns nonzero if the iterator currently hold valid data.
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.
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

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.

Author

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