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Increased symemtry tolerance to +/-0.1 angstrom (=symmemtry_threshold=0.2)....
Increased symemtry tolerance to +/-0.1 angstrom (=symmemtry_threshold=0.2). This seems like a more reasonable threshold as relaxed structures may not follow symmetries so exactly. Added tests for bulk material identification.
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- nomad/config.py 1 addition, 1 deletionnomad/config.py
- nomad/normalizing/data/aflow_prototypes.py 1 addition, 1 deletionnomad/normalizing/data/aflow_prototypes.py
- nomad/normalizing/structure.py 3 additions, 0 deletionsnomad/normalizing/structure.py
- tests/normalizing/test_encyclopedia.py 178 additions, 140 deletionstests/normalizing/test_encyclopedia.py
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