sc::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 sc::SOTransform:

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.

Member Function Documentation

add_transform()

void sc::SOTransform::add_transform	(	int	aoshell,
		int	irrep,
		double	coef,
		int	aofunc,
		int	sofunc )

Adds another term to the transform.

References aoshell.

Member Data Documentation

aoshell

SOTransformShell* sc::SOTransform::aoshell

The SOTransformShell object for each AO.

Referenced by add_transform().

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

• sobasis.h