NAME

       sc::SpatialMOPairIter_eq - SpatialMOPairIter_eq gives the ordering of same-spin and
       different-spin orbital pairs if both orbitals of the pairs are from the same space.

SYNOPSIS

       #include <pairiter.h>

       Inherits sc::SpatialMOPairIter.

   Public Member Functions
       SpatialMOPairIter_eq (const Ref< MOIndexSpace > &space1)
           Initialize an iterator for the given MO spaces.
       void start (const int ij_offset=0)
           Initialize the iterator assuming that iteration will start with pair ij_offset.
       void next ()
           Move to the next pair.
       operator int () const
           Returns nonzero if the iterator currently hold valid data.
       int nij_aa () const
           Returns the number of functions in alpha-alpha space.
       int nij_ab () const
           Returns the number of functions in alpha-beta space.
       int ij_aa () const
           Returns compound index ij for alpha-alpha case.
       int ij_ab () const
           Returns compound index ij for alpha-beta case.
       int ij_ba () const
           Returns compound index ij for beta-alpha case.

   Additional Inherited Members

Detailed Description

       SpatialMOPairIter_eq gives the ordering of same-spin and different-spin orbital pairs if
       both orbitals of the pairs are from the same space.

       It iterates over all i >= j combinations (total of (ni_+1)*(ni_+2)/2 pairs).

Member Function Documentation

   int sc::SpatialMOPairIter_eq::ij_aa () const [inline],  [virtual]
       Returns compound index ij for alpha-alpha case. The i == j combination doesn't make sense,
       so ij_aa() will return -1 for such pairs.

       Implements sc::SpatialMOPairIter.

Author

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