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

Inheritance diagram for sc::OneBodyDerivIntCCA:

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 ()

Detailed Description

This implements one body derivative integrals through the CCA interface.

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().

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().

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