sc::onebodyderivintv3(3)

NAME

sc::OneBodyDerivIntV3 - This implements one body deriva

tive 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.

Member Function Documentation

void sc::OneBodyDerivIntV3::compute_shell (int ish, int jsh,

DerivCenters

&) [virtual]
Compute the derivative integrals and place the result in

the buffer
returned by buffer().

Implements sc::OneBodyDerivInt.

void sc::OneBodyDerivIntV3::compute_shell (int ish, int jsh,

int center)

[virtual]
Compute the derivative integrals with respect to the given

center and
place the result in the buffer returned by buffer().

Implements sc::OneBodyDerivInt.

Author

Generated automatically by Doxygen for MPQC from the

source code.

Version 2.3.1 15 Mar 2008 sc::One

BodyDerivIntV3(3)