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.

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. 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.

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.