MPQC 2.3.1
sc::RedundantCartesianIter Class Referenceabstract

RedundantCartesianIter objects loop through all possible combinations of a given number of axes. More...

#include <cartiter.h>

Inheritance diagram for sc::RedundantCartesianIter:

Public Member Functions

 RedundantCartesianIter (int l)
 Create a object for the given angular momentum.
 
virtual int bfn ()=0
 Return the current Cartesian basis function number.
 
void start ()
 Initialize the iterator.
 
void next ()
 Move to the next combination of axes.
 
 operator int ()
 Returns nonzero if the iterator currently hold valid data.
 
int a ()
 The current exponent of x.
 
int b ()
 The current exponent of y.
 
int c ()
 The current exponent of z.
 
int l ()
 The angular momentum.
 
int l (int i)
 Returns a() if i==0, b() if i==1, and c() if i==2.
 
int axis (int i)
 Return the i'th axis.
 

Detailed Description

RedundantCartesianIter objects loop through all possible combinations of a given number of axes.

This is used to compute the transformation matrices that maps a set of Cartesian functions to another set of Cartesian functions in a rotated coordinate system.

Member Function Documentation

◆ bfn()

virtual int sc::RedundantCartesianIter::bfn ( )
pure virtual

Return the current Cartesian basis function number.

Implemented in sc::RedundantCartesianIterCCA, sc::RedundantCartesianIterCints, and sc::RedundantCartesianIterV3.


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

Generated at Fri May 31 2024 00:00:00 for MPQC 2.3.1 using the documentation package Doxygen 1.11.0.