Public Member Functions¶

SpatialMOPairIter_neq (const Ref< MOIndexSpace > &space1, const Ref< MOIndexSpace > &space2)
Initialize an iterator for the given MO spaces. void start (const int ij_offset=0)
Initialize the iterator assuming that iteration will start with pair ij_offset. void next ()
Move to the next pair. operator int () const
Returns nonzero if the iterator currently hold valid data. int nij_aa () const
Returns the number of functions in alpha-alpha space. int nij_ab () const
Returns the number of functions in alpha-beta space. int ij_aa () const
Returns compound index ij for alpha-alpha case. int ij_ab () const
Returns compound index ij for alpha-beta case. int ij_ba () const
Returns compound index ij for beta-alpha case.

Additional Inherited Members¶

int sc::SpatialMOPairIter_neq::ij_aa () const [inline], [virtual]¶

Returns compound index ij for alpha-alpha case.

Implements sc::SpatialMOPairIter.

int sc::SpatialMOPairIter_neq::ij_ab () const [inline], [virtual]¶

Returns compound index ij for alpha-beta case.

Implements sc::SpatialMOPairIter.

int sc::SpatialMOPairIter_neq::ij_ba () const [inline], [virtual]¶

Returns compound index ij for beta-alpha case.

Implements sc::SpatialMOPairIter.

void sc::SpatialMOPairIter_neq::next () [inline], [virtual]¶

Move to the next pair.

Implements sc::MOPairIter.

int sc::SpatialMOPairIter_neq::nij_aa () const [inline], [virtual]¶

Returns the number of functions in alpha-alpha space.

Implements sc::SpatialMOPairIter.

int sc::SpatialMOPairIter_neq::nij_ab () const [inline], [virtual]¶

Returns the number of functions in alpha-beta space.

Implements sc::SpatialMOPairIter.

sc::SpatialMOPairIter_neq::operator int () const [inline], [virtual]¶

Returns nonzero if the iterator currently hold valid data.

Implements sc::MOPairIter.

void sc::SpatialMOPairIter_neq::start (const int ij_offset = 0) [inline], [virtual]¶

Initialize the iterator assuming that iteration will start with pair ij_offset.

Implements sc::MOPairIter.