sc::CartesianIter - CartesianIter gives the ordering of the Cartesian functions within a shell for the
Contents
Detailed Description
CartesianIter gives the ordering of the Cartesian functions within a shell for the particular integrals
specialization.
Member Function Documentation
intsc::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.
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.
PublicMemberFunctionsCartesianIter (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 operatorint ()=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.
ProtectedAttributes
int a_
int b_
int c_
int l_
int bfn_