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
- Generated automatically by Doxygen for MPQC from the source code.