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Handle valence shell configuration errors more gracefully #66

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merged 1 commit into from
Oct 26, 2023

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@vanderhe vanderhe commented Oct 5, 2023

The presently quite useless error message issued in the event of misconfiguration of the valence shells hit me just a few days ago. This PR attempts to return a more helpful message instead.

@vanderhe vanderhe added this to the 0.3 milestone Oct 5, 2023
@vanderhe vanderhe requested a review from bhourahine October 5, 2023 14:36
@aradi aradi merged commit 3349344 into dftbplus:main Oct 26, 2023
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@vanderhe vanderhe deleted the valenceErrorHandling branch October 26, 2023 18:13
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2 participants