sc::SOTransform Class Reference

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

#include <chemistry/qc/basis/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.

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

• src/lib/chemistry/qc/basis/sobasis.h