sc::MOPairIter(3) MPQC sc::MOPairIter(3)NAME
sc::MOPairIter - 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. 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. Version 2.3.1 Fri Feb 19 2016 sc::MOPairIter(3)