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Man Pages


Manual Reference Pages  -  SC_SPATIALMOPAIRITER_NEQ (3)

NAME

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

CONTENTS

Synopsis

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.

    Additional Inherited Members

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).

Author

Generated automatically by Doxygen for MPQC from the source code.

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

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