Provided by: libsc-doc_2.3.1-22_all
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_ Additional Inherited Members
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.
Author
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