sc::OneBodyDerivIntCCA Class Reference

This implements one body derivative integrals through the CCA interface. More...

#include <chemistry/cca/int/obintcca.h>

Inheritance diagram for sc::OneBodyDerivIntCCA:

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List of all members.

Public Member Functions
	OneBodyDerivIntCCA (Integral *integral, const Ref< GaussianBasisSet > &, const Ref< GaussianBasisSet > &, Chemistry::QC::GaussianBasis::IntegralEvaluatorFactoryInterface, Chemistry::QC::GaussianBasis::CompositeDescrInterface, bool)
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().
bool	cloneable ()
Ref< OneBodyDerivInt >	clone ()

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Detailed Description

This implements one body derivative integrals through the CCA interface.

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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.

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

• src/lib/chemistry/cca/int/obintcca.h