sc::OneBodyDerivIntV3(3)

NAME
sc::OneBodyDerivIntV3 -

This implements one body derivative 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 (intish, intjsh, DerivCenters &) [virtual]

Compute the derivative integrals and place the result in the buffer returned by buffer()'.

Implements sc::OneBodyDerivInt'.

  void sc::OneBodyDerivIntV3::compute_shell (intish, intjsh, intcenter) [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

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