sc::OneBodyDerivIntCCA Class Reference

This implements one body derivative integrals. More...

#include <obintcca.h>

Inheritance diagram for sc::OneBodyDerivIntCCA:

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< Int1eCCA >	int1ecca_

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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.

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Member Function Documentation

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.

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.

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

• obintcca.h