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sc::MOPairIter(3) MPQC sc::MOPairIter(3)

sc::MOPairIter - MOPairIter gives the ordering of orbital pairs.

#include <pairiter.h>

Inherits sc::RefCount.

Inherited by sc::SpatialMOPairIter.


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.

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


bool i_eq_j_
int ni_
int nj_
int i_
int j_
int nij_
int ij_

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

MOPairIter gives the ordering of orbital pairs.

Move to the next pair.

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

Returns nonzero if the iterator currently hold valid data.

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

Start the iteration.

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

Generated automatically by Doxygen for MPQC from the source code.

Sat Jul 19 2025 Version 2.3.1

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