This is potentially semi-breaking for user code that (like mine)
usually start a calculation by creating a list of orbitals, which
will from now on shadow this function. I think it's worth the hassle
though, since this enables us to treat Configurations, CSFs, and
EnergyExpressions.SlaterDeterminant (and any future many-body object
built from single-particle functions) on an equal footing.
This is potentially semi-breaking for user code that (like mine) usually start a calculation by creating a list of
orbitals
, which will from now on shadow this function. I think it's worth the hassle though, since this enables us to treatConfiguration
s,CSF
s, andEnergyExpressions.SlaterDeterminant
(and any future many-body object built from single-particle functions) on an equal footing.