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Add a more informative warning about mass_scale #66

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eridanirojas opened this issue Jan 31, 2024 · 0 comments
Open

Add a more informative warning about mass_scale #66

eridanirojas opened this issue Jan 31, 2024 · 0 comments

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@eridanirojas
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heavy_positions = positions[

At this line, if mass_scale is set incorrectly such that we get an empty array, we should a throw a user warning regarding mass_scale being correctly set. Something like "no heavy atoms found using default value"

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