Provided by: libsc-doc_2.3.1-22_all
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.
Author
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