man sc_OneBodyDerivIntV3 (Fonctions bibliothèques) - This implements one body derivative integrals in the IntV3 library.

NAME

sc::OneBodyDerivIntV3 - This implements one body derivative integrals in the IntV3 library.

SYNOPSIS



#include <obintv3.h>

Inherits sc::OneBodyDerivInt.

Public Member Functions

OneBodyDerivIntV3 (Integral *, const Ref< GaussianBasisSet > &, const Ref< GaussianBasisSet > &, IntegralFunction)

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(Int1eV3::* IntegralFunction )(int, int, int, int)

Protected Attributes

Ref< Int1eV3 > int1ev3_

IntegralFunction intfunc_

Detailed Description

This implements one body derivative integrals in the IntV3 library.

It is given a function pointer to the Int1eV3 member that computes the particular integral of interest.

Author

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