MPQC 2.3.1

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sc::SpatialMOPairIter Class Reference

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

`#include <pairiter.h>`

Inheritance diagram for sc::SpatialMOPairIter:

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:

- pairiter.h