sc::OneBodyIntCints(3) MPQC sc::OneBodyIntCints(3)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.
Additional Inherited Members
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.
void sc::OneBodyIntCints::compute_shell (int, int) [virtual]
Computes the integrals between basis functions in the given shell pair.
Implements sc::OneBodyInt.
Author
Generated automatically by Doxygen for MPQC from the source code.
Version 2.3.1 Fri Feb 19 2016 sc::OneBodyIntCints(3)
