- 30 Jan, 2020 2 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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- 29 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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- 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 1 commit
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Lauri Himanen authored
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- 24 Jan, 2020 1 commit
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Lauri Himanen authored
Added structure_type, structure_prototype and strukturbericht_designation to EncyclopediaNormalizer.
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- 21 Jan, 2020 2 commits
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Lauri Himanen authored
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Lauri Himanen authored
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- 20 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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- 17 Jan, 2020 2 commits
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Lauri Himanen authored
Added structure information for 2D systems in EncyclopediaNormalizer, updated SystemNormalizer so that it does not try to fetch symemtry information for non-bulk systems, added improved system type detection from MatID to SystemNormalizer.
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Lauri Himanen authored
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- 16 Jan, 2020 6 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
Added formula and formula_reduced to EncylopediaNormalizer. Cleaned up the function for forming the Hill notation.
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Lauri Himanen authored
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Lauri Himanen authored
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- 15 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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- 14 Jan, 2020 6 commits
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Lauri Himanen authored
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Lauri Himanen authored
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Lauri Himanen authored
Added exception handling when reference from scc to system is missing, added bravais_lattice to Encyclopedia.material.
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Lauri Himanen authored
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Lauri Himanen authored
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Lauri Himanen authored
Added phonon test files, added support for phonon calculation detection. Missing the old system of getting the method information from a referenced calculation.
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- 13 Jan, 2020 1 commit
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Lauri Himanen authored
Modified the metainfo enum class, fixed issues in encyclopedia normalization, fixed error in the retrieval of representative systems.
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- 10 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
Added a package level conftest.py for normalizer tests, fixed issue in fcc_crystal_structure.json (cell was given in angstroms, not SI units), added first test configuration for EncyclopediaNormaliser.
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- 09 Jan, 2020 2 commits
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Lauri Himanen authored
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Lauri Himanen authored
Added support for storing temporary variables in the backend, added new symemtry module that will contain all the symmetry tools from the NOMAD-COE Encyclopedia, added storing and reuse of wyckoff set information from SystemNormalizer to EncyclopediaNormalizer, added first Quantity output for Encyclopedia normalizer: the material hash.
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- 08 Jan, 2020 2 commits
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Lauri Himanen authored
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Lauri Himanen authored
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