... | ... | @@ -24,6 +24,17 @@ We get the normalized wyckoff (`get_norm_wyckoff`), compare it with the one in |
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If we find a matching structure type (`get_structure_type`), it returns the information on the prototype.
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**Other applications**:
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1) in Encyclopedia in the structure box, as in this example:
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![structure_box](/uploads/4663da778135745b21ae49d800d3d06b/structure_box.png)
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more info you can find here:
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https://gitlab.mpcdf.mpg.de/nomad-lab/encyclopedia-general/wikis/general-info-on-classification
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2) in beaker notebook that allows one to perform prototype classification for a given structure from the NOMAD Archive and find most matching structures using SOAP (Smooth Overlap of Atomic Positions). There one can set own parameters like spglib precission or similarity threshold etc.
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**Testing**
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For testing the normalized **prototypes classification** one shall run `classify4me_prototypes.py` code and give as an argument the structure taken from api/resolve:
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