NAME

       sc::SpatialMOPairIter - SpatialMOPairIter gives the ordering of pairs of spatial orbitals.

SYNOPSIS

       #include <pairiter.h>

       Inherits sc::MOPairIter.

       Inherited by sc::SpatialMOPairIter_eq, and sc::SpatialMOPairIter_neq.

   Public Member Functions
       SpatialMOPairIter (const Ref< MOIndexSpace > &space_i, const Ref< MOIndexSpace > &space_j)
           Initialize a spatial pair iterator for the given MO spaces.
       virtual int nij_aa () const =0
           Returns the number of functions in alpha-alpha space.
       virtual int nij_ab () const =0
           Returns the number of functions in alpha-beta space.
       virtual int ij_aa () const =0
           Returns compound index ij for alpha-alpha case.
       virtual int ij_ab () const =0
           Returns compound index ij for alpha-beta case.
       virtual int ij_ba () const =0
           Returns compound index ij for beta-alpha case.

   Additional Inherited Members

Detailed Description

       SpatialMOPairIter gives the ordering of pairs of spatial orbitals.

       Different spin cases appear.

Member Function Documentation

   virtual int sc::SpatialMOPairIter::ij_aa () const [pure virtual]
       Returns compound index ij for alpha-alpha case. If the combintaion is not allowed then
       return -1

       Implemented in sc::SpatialMOPairIter_neq, and sc::SpatialMOPairIter_eq.

Author

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