| sc::CartesianIter(3) | MPQC | sc::CartesianIter(3) |
sc::CartesianIter - CartesianIter gives the ordering of the Cartesian functions within a shell for the particular integrals specialization.
#include <cartiter.h>
Inherited by MPQC::CartesianIterCCA, sc::CartesianIterCCA, sc::CartesianIterCints, and sc::CartesianIterV3.
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.
int a_
int b_
int c_
int l_
int bfn_
CartesianIter gives the ordering of the Cartesian functions within a shell for the particular integrals specialization.
Returns the number of the current basis function within the shell. This starts at 0 and sequentially increases as next() is called.
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| Sun Oct 4 2020 | Version 2.3.1 |