SYNOPSIS

#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.

Author

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