#include <pairiter.h>
Inheritance diagram for sc::SpatialMOPairIter:
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. |
Different spin cases appear.
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_eq, and sc::SpatialMOPairIter_neq.