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