| sc::OneBodyIntCCA(3) | MPQC | sc::OneBodyIntCCA(3) |
sc::OneBodyIntCCA - This implements one body integrals through the CCA interface.
#include <obintcca.h>
Inherits sc::OneBodyInt.
OneBodyIntCCA (Integral *, const Ref<
GaussianBasisSet > &, const Ref<
GaussianBasisSet > &, IntegralEvaluatorFactory,
IntegralFunction, bool)
void compute_shell (int, int)
Computes the integrals between basis functions in the given shell pair. bool
cloneable ()
Return true if the clone member can be called. Ref<
OneBodyInt > clone ()
Returns a clone of this.
typedef void(sc::Int1eCCA::* IntegralFunction) (int, int)
Ref< sc::Int1eCCA > int1ecca_
IntegralFunction intfunc_
This implements one body integrals through the CCA interface.
It is given a function pointer to the IntCCA member that computes the particular integral of interest.
Returns a clone of this. The default implementation throws an exception.
Reimplemented from sc::OneBodyInt.
Return true if the clone member can be called. The default implementation returns false.
Reimplemented from sc::OneBodyInt.
Computes the integrals between basis functions in the given shell pair.
Implements sc::OneBodyInt.
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| Fri Dec 2 2022 | Version 2.3.1 |