| sc::OneBodyDerivIntV3(3) | MPQC | sc::OneBodyDerivIntV3(3) |
sc::OneBodyDerivIntV3 - This implements one body derivative integrals in the IntV3 library.
#include <obintv3.h>
Inherits sc::OneBodyDerivInt.
OneBodyDerivIntV3 (Integral *, const Ref<
GaussianBasisSet > &, const Ref<
GaussianBasisSet > &, IntegralFunction)
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(Int1eV3::* IntegralFunction) (int, int, int,
int)
Ref< Int1eV3 > int1ev3_
IntegralFunction intfunc_
This implements one body derivative integrals in the IntV3 library.
It is given a function pointer to the Int1eV3 member that computes the particular integral of interest.
Compute the derivative integrals and place the result in the buffer returned by buffer().
Implements sc::OneBodyDerivInt.
Compute the derivative integrals with respect to the given center and place the result in the buffer returned by buffer().
Implements sc::OneBodyDerivInt.
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| Fri Dec 2 2022 | Version 2.3.1 |