sc::MOPairIter Class Reference

MOPairIter gives the ordering of orbital pairs. More...

#include <pairiter.h>

Inheritance diagram for sc::MOPairIter:

sc::RefCount sc::Identity sc::SpatialMOPairIter sc::SpatialMOPairIter_eq sc::SpatialMOPairIter_neq List of all members.

Public Member Functions

 MOPairIter (const Ref< MOIndexSpace > &space_i, const Ref< MOIndexSpace > &space_j)
 Initialize an iterator for the given MO spaces.
virtual void start (const int first_ij=0)=0
 Start the iteration.
virtual void next ()=0
 Move to the next pair.
virtual operator int () const=0
 Returns nonzero if the iterator currently hold valid data.
int ni () const
 Returns the number of functions in space i.
int nj () const
 Returns the number of functions in space j.
int i () const
 Returns index i.
int j () const
 Returns index j.
int nij () const
 Returns the number of pair combinations for this iterator.
int ij () const
 Returns the current iteration.

Protected Attributes

bool i_eq_j_
int ni_
int nj_
int i_
int j_
int nij_
int ij_

Detailed Description

MOPairIter gives the ordering of orbital pairs.


The documentation for this class was generated from the following file:
Generated at Mon Dec 3 23:23:53 2007 for MPQC 2.3.1 using the documentation package Doxygen 1.5.2.