Comments (5)
unkcpz
commented on August 15, 2024
1
I am pretty sure the latest bandplot widget address the first three issues. I am checking the fourth, running calculation on Fe and see the electronic structure. I think the bandplot widget can distinguish the up and down spin, only need to dump the corresponding outputs and feed them to the widget.
The update to new widget is included in and closed by #159 too.
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csadorf
commented on August 15, 2024
I will try to take care of re-introducing Dou's widget.
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csadorf
commented on August 15, 2024
I will try to take care of re-introducing Dou's widget.
Done in e5b6798 and released in https://github.com/aiidalab/aiidalab-qe/releases/tag/v21.08.0b3 .
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csadorf
commented on August 15, 2024
@dou-du Could you comment on this issue, please?
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unkcpz
commented on August 15, 2024
The last (4) point is brought up in osscar-org/widget-bandsplot#8. I will close this issue and open a specific one #229.
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Related Issues (20)
- Improve code setup HOT 1
- Job List not displaying, Checkbox instance expected a unicode string, not the float nan HOT 3
- Issue in optimade provider selection
- Exclude all other plugins when select the HP plugin
- Include Bands projections
- Handling Molecules HOT 3
- Docker image for fast launch
- Time report for each sub WorkChain HOT 1
- Time estimation to run a given simulation HOT 1
- Automatic parallelization settings
- Adding more QE codes into the default stored ones HOT 1
- Plugin list should install external as pip install --user
- External plugin (aiidalab qe vibroscopy) cant be install in ARM64 HOT 13
- App crashes if dos.x code is not on the same computer of pw.x
- Adding an upload button to setup computer and codes
- nsteps widget
- Acknowledgements for projects
- Rename `QuantumESPRESSO` to `Quantum ESPRESSO`
- Walltime doesnt apply to plugin (vibroscopy) HOT 1
- Case sensitive filenames breaks in case insensitive filesystems. HOT 1
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