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previous implementation has a bug if it was being passed the active keyword while core already defined. It also had an issue where the chosen orbs (act/core) were selected by total overlap, which may carry to many selected orbitals for some orbitals and no enough for other. Now more equitative
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previous implementation has a bug if it was being passed the active keyword while core already defined.
It also had an issue where the chosen orbs (act/core) were selected by total overlap, which may carry to many selected orbitals for some orbitals and no enough for other. Now more equitative