sc::onebodyderivintcca(3)
NAME
sc::OneBodyDerivIntCCA - This implements one body derivative integrals.
SYNOPSIS
#include <obintcca.h> Inherits sc::OneBodyDerivInt. Public Member Functions OneBodyDerivIntCCA (Integral *, const Ref< GaussianBasisSet > &, const Ref< GaussianBasisSet > &, IntegralEvaluatorFactory, bool, string) 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(Int1eCCA::* IntegralFunction )(int, int, DerivCenters &) Protected Attributes Ref< Int1eCCA > int1ecca_
Detailed Description
This implements one body derivative integrals.
It is given a function pointer to the Int1eCCA member that computes the
particular integral of interest.
Member Function Documentation
- void sc::OneBodyDerivIntCCA::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::OneBodyDerivIntCCA::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.