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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
       Generated automatically by Doxygen for MPQC from	the source code.

Version	2.3.1			Tue May	13 2025		    sc::SOTransform(3)

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