- GUI can now handle data from both old and new index (=with or without
section_results). The data from
section_resultsis used primarily.
- Overview page now uses partial archive download if
- 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
- 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
Structurecomponent: 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
DosNormalizerare both stored explicitly in the metainfo, improved the regressions tests for resolving these energy references in different cases.