MPQC  2.3.1
Public Member Functions
sc::SpatialMOPairIter Class Reference

SpatialMOPairIter gives the ordering of pairs of spatial orbitals. More...

#include <pairiter.h>

Inheritance diagram for sc::SpatialMOPairIter:
sc::MOPairIter sc::RefCount sc::Identity sc::SpatialMOPairIter_eq sc::SpatialMOPairIter_neq

List of all members.

Public Member Functions

 SpatialMOPairIter (const Ref< MOIndexSpace > &space_i, const Ref< MOIndexSpace > &space_j)
 Initialize a spatial pair iterator for the given MO spaces.
virtual int nij_aa () const =0
 Returns the number of functions in alpha-alpha space.
virtual int nij_ab () const =0
 Returns the number of functions in alpha-beta space.
virtual int ij_aa () const =0
 Returns compound index ij for alpha-alpha case.
virtual int ij_ab () const =0
 Returns compound index ij for alpha-beta case.
virtual int ij_ba () const =0
 Returns compound index ij for beta-alpha case.

Detailed Description

SpatialMOPairIter gives the ordering of pairs of spatial orbitals.

Different spin cases appear.


Member Function Documentation

virtual int sc::SpatialMOPairIter::ij_aa ( ) const [pure virtual]

Returns compound index ij for alpha-alpha case.

If the combintaion is not allowed then return -1

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


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

Generated at Tue Dec 13 2011 00:56:19 for MPQC 2.3.1 using the documentation package Doxygen 1.7.5.1.