SOTransform maintains a list of AO shells that are be used to compute the SO. More...
#include <sobasis.h>
Collaboration diagram for sc::SOTransform:
Public Member Functions | |
| void | set_naoshell (int n) |
| void | add_transform (int aoshell, int irrep, double coef, int aofunc, int sofunc) |
| Adds another term to the transform. | |
Public Attributes | |
| int | naoshell_allocated |
| int | naoshell |
| The number of AO shells that make up this SO shell. | |
| SOTransformShell * | aoshell |
| The SOTransformShell object for each AO. | |
Detailed Description
SOTransform maintains a list of AO shells that are be used to compute the SO.
The information is stored in objects of type SOTransformShell.
The documentation for this class was generated from the following file: