sc::OneBodyIntCints Class Reference

This implements most one body integrals in the Cints library. More...

#include <obintcints.h>

Inheritance diagram for sc::OneBodyIntCints:

sc::OneBodyInt sc::RefCount sc::Identity List of all members.

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< OneBodyIntclone ()
 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.


The documentation for this class was generated from the following file:
Generated at Mon Dec 3 23:23:50 2007 for MPQC 2.3.1 using the documentation package Doxygen 1.5.2.