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Man Pages


Manual Reference Pages  -  SC_MOPAIRITER (3)

NAME

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

CONTENTS

Synopsis

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.

    Protected Attributes

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

    Additional Inherited Members

Detailed Description

MOPairIter gives the ordering of orbital pairs.

Author

Generated automatically by Doxygen for MPQC from the source code.

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Version 2.3.1 SC::MOPAIRITER (3) Sun Apr 3 2016

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