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sc::OneBodyDerivIntCCA(3) MPQC sc::OneBodyDerivIntCCA(3)

sc::OneBodyDerivIntCCA - This implements one body derivative integrals.

#include <obintcca.h>

Inherits sc::OneBodyDerivInt.


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().


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


Ref< Int1eCCA > int1ecca_

This implements one body derivative integrals.

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

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

Implements sc::OneBodyDerivInt.

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

Implements sc::OneBodyDerivInt.

Generated automatically by Doxygen for MPQC from the source code.
Tue Jun 7 2022 Version 2.3.1

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