| sc::OneBodyIntCints(3) | MPQC | sc::OneBodyIntCints(3) |
sc::OneBodyIntCints - This implements most one body integrals in the Cints library.
#include <obintcints.h>
Inherits sc::OneBodyInt.
OneBodyIntCints (Integral *, const Ref<
GaussianBasisSet > &, const Ref<
GaussianBasisSet > &, IntegralFunction)
void set_multipole_origin (const Ref< DipoleData >
&)
void set_EdotV_origin (const Ref< EfieldDotVectorData
> &)
void set_Q_origin (const Ref< PointChargeData >
&)
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.
This implements most one body integrals in the Cints library.
It is given a function pointer to the Int1e 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 |