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sc::OneBodyDerivIntCCA(3)            MPQC            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_ 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. 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. Version 2.3.1 Fri Feb 19 2016 sc::OneBodyDerivIntCCA(3)

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