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

#include <sobasis.h>

Public Member Functions

 SOTransformShell ()
 
 ~SOTransformShell ()
 
void add_func (int irrep, double coef, int aofunc, int sofunc)
 Add another function to the transform. More...
 

Public Attributes

int aoshell
 The number of the AO shell from which these functions come. More...
 
int nfunc
 The number of AO/SO function pairs contributing. More...
 
SOTransformFunctionfunc
 The array of SOTransformFunction objects describing the transform. More...
 

Detailed Description

SOTransformShell maintains a list of AO functions contribute to an SO function in a particular SO shell. The information is stored in objects of type SOTransformFunction.

Constructor & Destructor Documentation

SOTransformShell::SOTransformShell ( )
SOTransformShell::~SOTransformShell ( )

Member Function Documentation

void SOTransformShell::add_func ( int  irrep,
double  coef,
int  aofunc,
int  sofunc 
)

Add another function to the transform.

Member Data Documentation

int psi::SOTransformShell::aoshell

The number of the AO shell from which these functions come.

SOTransformFunction* psi::SOTransformShell::func

The array of SOTransformFunction objects describing the transform.

int psi::SOTransformShell::nfunc

The number of AO/SO function pairs contributing.


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