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Write out index of most uncertain atom #220

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M-R-Schaefer opened this issue Oct 31, 2023 · 0 comments

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M-R-Schaefer commented Oct 31, 2023

For some of our projects it will be advantageous to log which atom (in case of force uncertainty) is the most uncertain for the Threshold selection.

M-R-Schaefer added the enhancement label

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