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Quality of life method: Structure valid method #204

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merged 7 commits into from
Jul 15, 2020

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@stevetorr stevetorr commented Jul 14, 2020

Method which wraps pymatgen's is_valid method, which checks if any two sites are too close to one another. This could be useful during active learning loops, in which structures which are unphysical could be flagged.

@stevetorr stevetorr merged commit a2d9301 into development Jul 15, 2020
@stevetorr stevetorr deleted the steven/qol/struc_valid branch July 15, 2020 01:49
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