| sc::OneBodyDerivIntCCA(3) | MPQC | sc::OneBodyDerivIntCCA(3) |
sc::OneBodyDerivIntCCA - This implements one body derivative integrals.
#include <obintcca.h>
Inherits sc::OneBodyDerivInt.
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().
typedef void(Int1eCCA::* IntegralFunction) (int, int,
DerivCenters &)
Ref< Int1eCCA > int1ecca_
This implements one body derivative integrals.
It is given a function pointer to the Int1eCCA member that computes the particular integral of interest.
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| Sun Oct 4 2020 | Version 2.3.1 |