man sc_OneBodyIntCints (Fonctions bibliothèques) - This implements most one body integrals in the Cints library.
NAME
sc::OneBodyIntCints - This implements most one body integrals in the Cints library.
SYNOPSIS
#include <obintcints.h>
Inherits sc::OneBodyInt.
Public Member Functions
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.
Detailed Description
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.
Member Function Documentation
Ref<OneBodyInt> sc::OneBodyIntCints::clone () [virtual]
Returns a clone of this.
The default implementation throws an exception.
Reimplemented from sc::OneBodyInt.
bool sc::OneBodyIntCints::cloneable () [virtual]
Return true if the clone member can be called.
The default implementation returns false.
Reimplemented from sc::OneBodyInt.
Author
Generated automatically by Doxygen for MPQC from the source code.