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sc::OneBodyIntV3(3) MPQC sc::OneBodyIntV3(3)

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_

Additional Inherited Members

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.

Reimplemented from sc::OneBodyInt.

void sc::OneBodyIntV3::compute_shell (int, int) [virtual]

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

Implements sc::OneBodyInt.

Author

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Fri Dec 2 2022 Version 2.3.1