NAME

       sc::SpatialMOPairIter_neq - SpatialMOPairIter_neq gives the ordering of pairs of spatial orbitals from
       different spaces.

SYNOPSIS

       #include <pairiter.h>

       Inherits sc::SpatialMOPairIter.

   Public Member Functions
       SpatialMOPairIter_neq (const Ref< MOIndexSpace > &space1, const Ref< MOIndexSpace > &space2)
           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.

       Public Member Functions inherited from sc::SpatialMOPairIter
       SpatialMOPairIter (const Ref< MOIndexSpace > &space_i, const Ref< MOIndexSpace > &space_j)
           Initialize a spatial pair iterator for the given MO spaces.

       Public Member Functions inherited from sc::MOPairIter
       MOPairIter (const Ref< MOIndexSpace > &space_i, const Ref< MOIndexSpace > &space_j)
           Initialize an iterator for the given MO spaces.
       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.

       Public Member Functions inherited from sc::RefCount
       int lock_ptr () const
           Lock this object.
       int unlock_ptr () const
           Unlock this object.
       void use_locks (bool inVal)
           start and stop using locks on this object
       refcount_t nreference () const
           Return the reference count.
       refcount_t reference ()
           Increment the reference count and return the new count.
       refcount_t dereference ()
           Decrement the reference count and return the new count.
       int managed () const
       void unmanage ()
           Turn off the reference counting mechanism for this object.
       int managed () const
           Return 1 if the object is managed. Otherwise return 0.

       Public Member Functions inherited from sc::Identity
       Identifier identifier ()
           Return the Identifier for this argument.

   Additional Inherited Members
       Protected Member Functions inherited from sc::RefCount
       RefCount (const RefCount &)
       RefCount & operator= (const RefCount &)

       Protected Attributes inherited from sc::MOPairIter
       bool i_eq_j_
       int ni_
       int nj_
       int i_
       int j_
       int nij_
       int ij_

Detailed Description

       SpatialMOPairIter_neq gives the ordering of pairs of spatial orbitals from different spaces.

       It iterates over all ij combinations (total of ni_*nj_ pairs).

Member Function Documentation

   int sc::SpatialMOPairIter_neq::ij_aa () const [inline],  [virtual]
       Returns compound index ij for alpha-alpha case.

       Implements sc::SpatialMOPairIter.

   int sc::SpatialMOPairIter_neq::ij_ab () const [inline],  [virtual]
       Returns compound index ij for alpha-beta case.

       Implements sc::SpatialMOPairIter.

   int sc::SpatialMOPairIter_neq::ij_ba () const [inline],  [virtual]
       Returns compound index ij for beta-alpha case.

       Implements sc::SpatialMOPairIter.

   void sc::SpatialMOPairIter_neq::next () [inline],  [virtual]
       Move to the next pair.

       Implements sc::MOPairIter.

   int sc::SpatialMOPairIter_neq::nij_aa () const [inline],  [virtual]
       Returns the number of functions in alpha-alpha space.

       Implements sc::SpatialMOPairIter.

   int sc::SpatialMOPairIter_neq::nij_ab () const [inline],  [virtual]
       Returns the number of functions in alpha-beta space.

       Implements sc::SpatialMOPairIter.

   sc::SpatialMOPairIter_neq::operator int () const [inline],  [virtual]
       Returns nonzero if the iterator currently hold valid data.

       Implements sc::MOPairIter.

   void sc::SpatialMOPairIter_neq::start (const int ij_offset = 0) [inline],  [virtual]
       Initialize the iterator assuming that iteration will start with pair ij_offset.

       Implements sc::MOPairIter.

Author

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