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InfluenceFunctional / MXtalTools

BSD 3-Clause "New" or "Revised" License
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Rethink Z'>1 apparatus #123

Closed InfluenceFunctional closed 5 months ago

InfluenceFunctional commented 7 months ago

Old dataframe method is too slow, but polars dataframes don't neatly fit - maybe model entire asymmetric unit, and keep mol indices only

InfluenceFunctional commented 5 months ago

Rebuilt this with recent dataset rebuild, though Z'>1 is still relatively untested.