v21.11.0
What's Changed
- Improve the (semi-automated) resource selection by @csadorf in #96
- Use the MaterialsCloud BandsPlot widget to plot bands. by @csadorf in #119
- Automatically install missing pseudo potentials on app start by @csadorf in #136 and @yakutovicha in #143
- Fix the
kpoints_distance
overrides by @mbercx in #98 - Block submission in for work chain settings that would not run anything. by @csadorf in #139
- Remove "Store in AiiDA" button from the structure selection step. by @yakutovicha in #140
- Block non-3D structures by @mbercx in #137
- Revise the LogOutputWidget by @csadorf in #138
- Provide better feedback about failed work chains and expose all input and output data as downloadable archive file by @mbercx in #141
- Automatically setup Quantum ESPRESSO on localhost if not present by @csadorf in #142
- Provide user feedback on why a submission is blocked. by @csadorf in #144
Full Changelog: v20.12.0...v21.11.0