... | ... | @@ -10,6 +10,9 @@ Delivered metadata is called `prototype_label` (as defined in `public.nomad-meta |
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For crystal structure classification based on prototypes a functions `get_normalized_wyckoff` and `get_structure_type` are defined in `https://gitlab.mpcdf.mpg.de/nomad-lab/normalizer-prototypes/blob/master/normalizer/normalizer-prototypes/classify4me_prototypes.py`. The later function take as argument space group and normalized wyckoff positions and returns the information on the prototype.
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Detailed information on Wyckoff position normaization is located here:
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https://gitlab.mpcdf.mpg.de/nomad-lab/normalizer-prototypes/wikis/info-on-normalization-of-wyckoff-positions
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***Classification "algorithm"***:
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