CartesianIter gives the ordering of the Cartesian functions within a shell for the particular integrals specialization. More...
#include <cartiter.h>
Inheritance diagram for sc::CartesianIter:
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. More... | |
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
◆ bfn()
|
inline |
Returns the number of the current basis function within the shell.
This starts at 0 and sequentially increases as next() is called.
The documentation for this class was generated from the following file: