sc_OneBodyIntCCA (3) - Linux Manuals

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.

Reimplemented from sc::OneBodyInt.

void sc::OneBodyIntCCA::compute_shell (int, int) [virtual]

Computes the integrals between basis functions in the given shell pair.

Implements sc::OneBodyInt.

Author

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