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Merged
Created May 03, 2021 by Lauri Himanen@himanel1Maintainer

GUI + normalizer update

  • Overview 0
  • Commits 34
  • Pipelines 1
  • Changes 42
  • GUI can now handle data from both old and new index (=with or without section_results). The data from section_results is used primarily.
  • Overview page now uses partial archive download if section_results is available.
  • Added a list of energies as an explicit metainfo to the geometry optimization workflow results. This list is used by the GUI to show the convergence plot.
  • Simplified the Recoil setup used for determining the units: the app has one default RecoilRoot, which is used primarily by the recoil atoms unless overridden by a nested RecoilRoot.
  • Improved the unit handling: now all plots in the overview accept a unit conversion setup. This can be used to control the units used by the overview.
  • Improved the Structure component: better handling of the wrap-option, now shows placeholders when switching between original/conventional/primitive structures.
  • Improved GUI tests: extended tests to cover both data with and without section_results, added tests for checking that placeholders are enabled, and then disabled for the plots shown for electronic and vibrational properties.
  • Improved the DOS and band structure normalization: now the energy references (highest occupied energy and lowest unoccupied energy) resolved by BandStructureNormalizer and DosNormalizer are both stored explicitly in the metainfo, improved the regressions tests for resolving these energy references in different cases.
Edited May 04, 2021 by Lauri Himanen
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Source branch: overview-update