sc_SOTransform3
Sotransform maintains a list of ao shells that are be used to compute the so.
Usage
#include <sobasis.h>
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.
Releases
6 releases since Debian 3.1 (Sarge); the text changed 5 times.