| sc::OneBodyIntV3(3) | MPQC | sc::OneBodyIntV3(3) |
sc::OneBodyIntV3 - This implements most one body integrals in the IntV3 library.
#include <obintv3.h>
Inherits sc::OneBodyInt.
OneBodyIntV3 (Integral *, const Ref<
GaussianBasisSet > &, const Ref<
GaussianBasisSet > &, IntegralFunction)
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(Int1eV3::* IntegralFunction) (int, int)
Ref< Int1eV3 > int1ev3_
IntegralFunction intfunc_
This implements most one body integrals in the IntV3 library.
It is given a function pointer to the Int1eV3 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.
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| Sun Oct 4 2020 | Version 2.3.1 |