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.

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

void sc::OneBodyIntCints::compute_shell (int, int) [virtual]: Computes the integrals between basis functions in the given shell pair.; Implements 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.
Ref<OneBodyInt> sc::OneBodyIntCints::clone () [virtual]: Returns a clone of this.; The default implementation throws an exception.; Reimplemented from sc::OneBodyInt.

Author

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