man sc_OneBodyIntV3 (Fonctions bibliothèques) - This implements most one body integrals in the IntV3 library.

NAME

sc::OneBodyIntV3 - This implements most one body integrals in the IntV3 library.

SYNOPSIS

#include <obintv3.h>

Inherits sc::OneBodyInt.

Public Member Functions

OneBodyIntV3 (Integral *, const Ref< GaussianBasisSet > &, const Ref< GaussianBasisSet > &, IntegralFunction)

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

Protected Attributes

Ref< Int1eV3 > int1ev3_

IntegralFunction intfunc_

Detailed Description

This implements most one body integrals in the IntV3 library.

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

Member Function Documentation

Ref<OneBodyInt> sc::OneBodyIntV3::clone () [virtual]

Returns a clone of this.

The default implementation throws an exception.

Reimplemented from sc::OneBodyInt.

bool sc::OneBodyIntV3::cloneable () [virtual]

Return true if the clone member can be called.

The default implementation returns false.