Psi4
Public Member Functions | Public Attributes | List of all members
psi::SOTransform Class Reference

#include <sobasis.h>

Public Member Functions

 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. More...
 

Public Attributes

int naoshell_allocated
 
int naoshell
 The number of AO shells that make up this SO shell. More...
 
SOTransformShellaoshell
 The SOTransformShell object for each AO. More...
 

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.

Constructor & Destructor Documentation

SOTransform::SOTransform ( )
SOTransform::~SOTransform ( )

Member Function Documentation

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

Adds another term to the transform.

void SOTransform::set_naoshell ( int  n)

Member Data Documentation

SOTransformShell* psi::SOTransform::aoshell

The SOTransformShell object for each AO.

int psi::SOTransform::naoshell

The number of AO shells that make up this SO shell.

int psi::SOTransform::naoshell_allocated

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