sc::PureSpinPairIter Class Reference

PureSpinPairIter iterates over spin-adapted (singlet or triplet) orbital pairs. More...

#include <chemistry/qc/mbptr12/pairiter.h>

Inheritance diagram for sc::PureSpinPairIter:

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List of all members.

Public Member Functions
	PureSpinPairIter (const Ref< OrbitalSpace > &space, const PureSpinCase2 &S)
	spincase S
void	start (const int first_ij=0)
	Start the iteration.
void	next ()
	Move to the next pair.
	operator int () const
	Returns nonzero if the iterator currently hold valid data.

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Detailed Description

PureSpinPairIter iterates over spin-adapted (singlet or triplet) orbital pairs.

Clearly, only valid when both indices come from the same orbital space.

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The documentation for this class was generated from the following file:

• src/lib/chemistry/qc/mbptr12/pairiter.h