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SOTransform Class Reference

SOTransform maintains a list of AO shells that are be used to compute the SO. More...

#include <sobasis.h>

Collaboration diagram for SOTransform:

[legend]List of all members.

Public Methods
	SOTransform ()
	~SOTransform ()
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.

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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.

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The documentation for this class was generated from the following file:

• sobasis.h

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