NAME

sc::SpatialMOPairIter - SpatialMOPairIter gives the ordering of pairs of spatial orbitals.

SYNOPSIS

#include <pairiter.h>

Inherits sc::MOPairIter.

Inherited by sc::SpatialMOPairIter_eq, and sc::SpatialMOPairIter_neq.

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.

Additional Inherited Members

Detailed Description

SpatialMOPairIter gives the ordering of pairs of spatial orbitals.

Different spin cases appear.

Member Function Documentation

Author

Generated automatically by Doxygen for MPQC from the source code.

NAME

SYNOPSIS

Public Member Functions

Additional Inherited Members

Detailed Description

Member Function Documentation

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

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

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

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

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

Author