sc_CartesianIter - Man Page
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.
virtual void sc::CartesianIter::next () [pure virtual]
Move to the next Cartesian function.
Implemented in MPQC::CartesianIterCCA, sc::CartesianIterCints, sc::CartesianIterCCA, and sc::CartesianIterV3.
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.
virtual void sc::CartesianIter::start () [pure virtual]
Start the iteration.
Implemented in MPQC::CartesianIterCCA, sc::CartesianIterCints, sc::CartesianIterCCA, and sc::CartesianIterV3.
Author
Generated automatically by Doxygen for MPQC from the source code.