- 06 Jul, 2020 1 commit
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Lauri Himanen authored
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- 28 Apr, 2020 1 commit
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Lauri Himanen authored
Moved band segment labeling from the VASP parser into BandStructureNormalizer, added proper tests for label detection, fixed issues with detecting band structure calculations.
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- 23 Apr, 2020 1 commit
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Lauri Himanen authored
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- 08 Apr, 2020 1 commit
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Lauri Himanen authored
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- 07 Apr, 2020 1 commit
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Lauri Himanen authored
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- 11 Mar, 2020 1 commit
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Lauri Himanen authored
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- 10 Mar, 2020 1 commit
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Lauri Himanen authored
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- 02 Mar, 2020 2 commits
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Lauri Himanen authored
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Lauri Himanen authored
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- 24 Feb, 2020 1 commit
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Lauri Himanen authored
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- 21 Feb, 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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- 31 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
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- 21 Jan, 2020 1 commit
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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
Added possibility of creating a parsed template from an ase.Atoms directly, added test for 2D material detection (graphene).
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Lauri Himanen authored
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- 17 Jan, 2020 1 commit
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Lauri Himanen authored
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- 14 Jan, 2020 4 commits
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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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Lauri Himanen authored
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Lauri Himanen authored
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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 2 commits
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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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Lauri Himanen authored
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