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Changing default in a2o(all=False) to a2o(all=True) #882

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zerothi opened this issue Dec 20, 2024 · 0 comments
Open

Changing default in a2o(all=False) to a2o(all=True) #882

zerothi opened this issue Dec 20, 2024 · 0 comments

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@zerothi
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zerothi commented Dec 20, 2024

Describe the issue
Generally, a2o is used so many places, and generally its use involves getting all orbitals of an atom.
Therefore I would suggest that we should change the default to all=True.

I think this could improve things as one can then pass the a2o method around in more stringent ways.

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