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| sc::OneBodyIntV3(3) | MPQC | sc::OneBodyIntV3(3) |
NAME
sc::OneBodyIntV3 - This implements most one body integrals in the IntV3 library.SYNOPSIS
#include <obintv3.h>
Inherits sc::OneBodyInt.
Public Member Functions
OneBodyIntV3 (Integral *, const Ref< GaussianBasisSet > &, const Ref< GaussianBasisSet > &, IntegralFunction)
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.
Protected Types
typedef void(Int1eV3::* IntegralFunction) (int, int)
Protected Attributes
Ref< Int1eV3 > int1ev3_
IntegralFunction intfunc_
Additional Inherited Members
Detailed Description
This implements most one body integrals in the IntV3 library.It is given a function pointer to the Int1eV3 member that computes the particular integral of interest.
Member Function Documentation
Ref< OneBodyInt > sc::OneBodyIntV3::clone () [virtual]
Returns a clone of this. The default implementation throws an exception.Reimplemented from sc::OneBodyInt.
bool sc::OneBodyIntV3::cloneable () [virtual]
Return true if the clone member can be called. The default implementation returns false.Reimplemented from sc::OneBodyInt.
void sc::OneBodyIntV3::compute_shell (int, int) [virtual]
Computes the integrals between basis functions in the given shell pair.Implements sc::OneBodyInt.
Author
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