sc_OneBodyDerivIntCCA (3) - Linux Manuals
NAME
sc::OneBodyDerivIntCCA -
This implements one body derivative integrals.
SYNOPSIS
#include <obintcca.h>
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
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, 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.
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.
Author
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