sc::OneBodyDerivIntCCA Class Reference

This implements one body derivative integrals. More...

#include <obintcca.h>

Inheritance diagram for sc::OneBodyDerivIntCCA:

sc::OneBodyDerivInt sc::RefCount sc::Identity List of all members.

Public Member Functions

 OneBodyDerivIntCCA (Integral *, const Ref< GaussianBasisSet > &, const Ref< GaussianBasisSet > &, IntegralEvaluatorFactory, bool, string)
void compute_shell (int, int, DerivCenters &)
 Compute the derivative integrals and place the result in the buffer returned by buffer().
void compute_shell (int, int, int)
 Compute the derivative integrals with respect to the given center and place the result in the buffer returned by buffer().

Protected Types

typedef void(Int1eCCA::*) IntegralFunction (int, int, DerivCenters &)

Protected Attributes

Ref< Int1eCCAint1ecca_

Detailed Description

This implements one body derivative integrals.

It is given a function pointer to the Int1eCCA member that computes the particular integral of interest.


Member Function Documentation

void sc::OneBodyDerivIntCCA::compute_shell ( int  ish,
int  jsh,
DerivCenters  
) [virtual]

Compute the derivative integrals and place the result in the buffer returned by buffer().

Implements sc::OneBodyDerivInt.

void sc::OneBodyDerivIntCCA::compute_shell ( int  ish,
int  jsh,
int  center 
) [virtual]

Compute the derivative integrals with respect to the given center and place the result in the buffer returned by buffer().

Implements sc::OneBodyDerivInt.


The documentation for this class was generated from the following file:
Generated at Mon Dec 3 23:23:52 2007 for MPQC 2.3.1 using the documentation package Doxygen 1.5.2.