MPQC
2.3.1
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RedundantCartesianIter objects loop through all possible combinations of a given number of axes. More...
#include <cartiter.h>
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. | |
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.