man sc_OneBodyIntCCA (Fonctions bibliothèques) - This implements one body integrals through the CCA interface.

NAME

sc::OneBodyIntCCA - This implements one body integrals through the CCA interface.

SYNOPSIS

#include <obintcca.h>

Inherits sc::OneBodyInt.

Public Member Functions

OneBodyIntCCA (Integral *, const Ref< GaussianBasisSet > &, const Ref< GaussianBasisSet > &, IntegralEvaluatorFactory, IntegralFunction, bool)

void compute_shell (int, int)

Computes the integrals between basis functions in the given shell pair. bool cloneable ()

Return true if the clone member can be called. Ref< OneBodyInt > clone ()

Returns a clone of this.

Protected Types

typedef void(sc::Int1eCCA::* IntegralFunction )(int, int)

Protected Attributes

Ref< sc::Int1eCCA > int1ecca_

IntegralFunction intfunc_

Detailed Description

This implements one body integrals through the CCA interface.

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

Member Function Documentation

Ref<OneBodyInt> sc::OneBodyIntCCA::clone () [virtual]

Returns a clone of this.

The default implementation throws an exception.

Reimplemented from sc::OneBodyInt.

bool sc::OneBodyIntCCA::cloneable () [virtual]

Return true if the clone member can be called.

The default implementation returns false.