JuliaAtoms / AtomicLevels.jl

https://juliaatoms.org/AtomicLevels.jl
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Implemented orbitals accessor function #106

Closed jagot closed 2 years ago

jagot commented 2 years ago

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.