sisl
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Merging Atom/Orbital etc.
Describe the feature It would be nice if one could deterministically merge two atoms/orbitals etc. in a consistent way. The usecase would be when a users has a simple geometry, but wants to read in from other sources which contains more information (but not necessarily everything).
The difficult thing here is the orbitals, should one be able to merge an Orbital
and a AtomicOrbital
, and how to select these things.
However, having this centralized in the objects would make these things much simpler.