- 30 Jan, 2020 3 commits
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Lauri Himanen authored
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Lauri Himanen authored
Changed the hashing to use the nice function within nomad.utils. Also the hash lengths are now different based on the expected complexity of the input space.
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Lauri Himanen authored
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- 29 Jan, 2020 5 commits
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Lauri Himanen authored
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Lauri Himanen authored
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Lauri Himanen authored
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Lauri Himanen authored
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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Lauri Himanen authored
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- 28 Jan, 2020 3 commits
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Lauri Himanen authored
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Lauri Himanen authored
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Lauri Himanen authored
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- 27 Jan, 2020 3 commits
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Lauri Himanen authored
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Lauri Himanen authored
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Lauri Himanen authored
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- 24 Jan, 2020 14 commits
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Markus Scheidgen authored
Improved system_type detection See merge request !77
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Markus Scheidgen authored
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Lauri Himanen authored
Added structure_type, structure_prototype and strukturbericht_designation to EncyclopediaNormalizer.
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Lauri Himanen authored
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Lauri Himanen authored
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Lauri Himanen authored
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Lauri Himanen authored
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Markus Scheidgen authored
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Markus Scheidgen authored
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Lauri Himanen authored
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Lauri Himanen authored
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Lauri Himanen authored
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Lauri Himanen authored
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Lauri Himanen authored
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- 23 Jan, 2020 12 commits
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Markus Scheidgen authored
Release v0.7.2 See merge request !79
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Markus Scheidgen authored
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Lauri Himanen authored
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Lauri Himanen authored
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Markus Scheidgen authored
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Markus Scheidgen authored
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Lauri Himanen authored
Updated the AFLOW prototype data. The new data is stored within nomad-FAIR instead of using the one in nomadcore. Modified systemnormalizer to use this new data through the new structure.py module that is created for handling various structure-related tasks.
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Lauri Himanen authored
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Markus Scheidgen authored
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Markus Scheidgen authored
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Markus Scheidgen authored
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Markus Scheidgen authored
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