SOTransformShell maintains a list of AO functions contribute to an SO function in a particular SO shell. More...
#include <sobasis.h>
Collaboration diagram for sc::SOTransformShell:
Public Member Functions | |
| void | add_func (int irrep, double coef, int aofunc, int sofunc) |
| Add another function to the transform. | |
Public Attributes | |
| int | aoshell |
| The number of the AO shell from which these functions come. | |
| int | nfunc |
| The number of AO/SO function pairs contributing. | |
| SOTransformFunction * | func |
| The array of SOTransformFunction objects describing the transform. | |
Detailed Description
SOTransformShell maintains a list of AO functions contribute to an SO function in a particular SO shell.
The information is stored in objects of type SOTransformFunction.
The documentation for this class was generated from the following file: