sc_OneBodyDerivIntCCA3
This implements one body derivative integrals.
Usage
#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.
Releases
5 releases since Debian 4.0 (Etch); the text changed 4 times.