sc::SOTransform(3) MPQC sc::SOTransform(3)NAME
sc::SOTransform - SOTransform maintains a list of AO shells that are be
used to compute the SO.
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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Version 2.3.1 Fri Feb 19 2016 sc::SOTransform(3)
