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

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Version 2.3.1                                    Sun Oct 4 2020                         sc::SpatialMOPairIter(3)

SpatialMOPairIter gives the ordering of pairs of spatial orbitals.

       Different spin cases appear.

virtualintsc::SpatialMOPairIter::ij_aa()const[purevirtual]
       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.

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

       #include <pairiter.h>

       Inherits sc::MOPairIter.

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

   PublicMemberFunctionsSpatialMOPairIter (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.

   AdditionalInheritedMembers