sc_MOPairIter - Man Page

MOPairIter gives the ordering of orbital pairs.

Synopsis

#include <pairiter.h>

Inherits sc::RefCount.

Inherited by sc::SpatialMOPairIter.

Public Member Functions

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.

Protected Attributes

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

Additional Inherited Members

Protected Member Functions inherited from sc::RefCount

RefCount (const RefCount &)
RefCount & operator= (const RefCount &)

Detailed Description

MOPairIter gives the ordering of orbital pairs.

Member Function Documentation

virtual void sc::MOPairIter::next () [pure virtual]

Move to the next pair.

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

virtual sc::MOPairIter::operator int () const [pure virtual]

Returns nonzero if the iterator currently hold valid data.

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

virtual void sc::MOPairIter::start (const int first_ij = 0) [pure virtual]

Start the iteration.

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

Author

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Info

Version 2.3.1 MPQC