aiidalab aiidalab-qe issues

aiidalab / aiidalab-qe

AiiDAlab App for Quantum ESPRESSO

https://aiidalab-qe.readthedocs.io/

MIT License

12 stars 14 forks source link

issues

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Bandswidget refactoring

#941 AndresOrtegaGuerrero opened 2 hours ago
0
set condition for update label if SOC if False

#940 AndresOrtegaGuerrero opened 1 day ago
1
Resource setting tabs

#939 superstar54 closed 6 hours ago
3
Fix code_widget_class for PW

#938 superstar54 closed 18 hours ago
1
In step 3 warnings, number of CPUs should be estimated from Computer setup

#937 mikibonacci opened 1 day ago
0
Bug report: Application crashed with TraitError

#936 cpignedoli opened 1 day ago
0
Bug report: Application crashed with ValueError

#935 cpignedoli opened 1 day ago
0
Bug report: Application crashed with AttributeError

#934 cpignedoli opened 1 day ago
0
changing the labels of periodicity widget

#933 AndresOrtegaGuerrero opened 2 days ago
2
Bump version v24.10.0a3 -> v24.10.0a4

#932 superstar54 closed 2 days ago
1
Expose the outputs of the `relax` workchain.

#931 superstar54 opened 3 days ago
0
Default energy range in Bands widget

#930 cpignedoli opened 4 days ago
0
`NGLWidget._sync_with_layout()` does not handle window resizing or zoom

#929 edan-bainglass opened 4 days ago
0
RelaxWorkChain Result Tab should display the PK of optimized structure

#928 AndresOrtegaGuerrero opened 1 week ago
0
Refactor ALL AiiDA interactions to an `AiiDAService`

#927 edan-bainglass opened 1 week ago
0
Choose a better name for `Group by Kinds `

#926 superstar54 opened 1 week ago
0
Update cell widget for molecule

#925 superstar54 opened 1 week ago
1
Restore update results button functionality

#924 edan-bainglass closed 1 week ago
1
HyperQueue has crashed in image `v24.10.0a3` on Ubuntu 24.04.1 LTS

#923 superstar54 opened 1 week ago
3
The latest image failed: memory.max: No such file or directory

#922 superstar54 opened 1 week ago
2
Store already added node viewer and load it when needed

#921 superstar54 closed 1 week ago
2
`Lazy-loading` Bug report: Application crashed with AttributeError

#920 superstar54 opened 2 weeks ago
1
Lazy-docs

#919 edan-bainglass opened 2 weeks ago
1
Control over number of unoccupied states to computed

#918 AndresOrtegaGuerrero opened 2 weeks ago
0
Use try/except to catch error

#917 superstar54 opened 2 weeks ago
6
Failed to install QE when installing the app form the App Store.

#916 superstar54 opened 2 weeks ago
1
fixing the download of a single QeAppWorkChain

#915 mikibonacci closed 2 weeks ago
1
Download aiida archive will download also linked QeAppWorkChain

#914 mikibonacci closed 2 weeks ago
0
Bump version v24.10.0a2 -> v24.10.0a3

#913 mikibonacci closed 2 weeks ago
1
Bump version 24.10.0a2 to 24.10.0a3

#912 mikibonacci closed 2 weeks ago
1
When loading a previous run StructureData is not display in Step1

#911 AndresOrtegaGuerrero closed 2 days ago
0
using ui_parameters to set the report

#910 AndresOrtegaGuerrero closed 3 weeks ago
1
Problems when importing the generated aiida node from the app

#909 AndresOrtegaGuerrero closed 3 weeks ago
2
Bug report: Can't operate on closed transaction inside context manager.

#908 superstar54 opened 3 weeks ago
1
The download structure doesnt assign the tags defined in the xyz file

#907 AndresOrtegaGuerrero opened 3 weeks ago
0
removing nan from properties query

#906 AndresOrtegaGuerrero closed 3 weeks ago
1
Bug report: Application crashed with TraitError

#905 AndresOrtegaGuerrero closed 3 weeks ago
3
Layout axes remain the same after update_plot methods is called

#904 AndresOrtegaGuerrero closed 3 weeks ago
6
Changing the fat bands thickness should not reset zoom

#903 AndresOrtegaGuerrero closed 3 weeks ago
0
Design Ideas for how deal with Post Processing Plugins

#902 AndresOrtegaGuerrero opened 4 weeks ago
0
WIP: Build QeApp image with Python 3.11

#901 danielhollas opened 4 weeks ago
1
Check if performance of (PDOS and Bands plot) can be improved for large systems

#900 superstar54 opened 4 weeks ago
1
Increase flat bands max

#899 superstar54 opened 4 weeks ago
2
hyperequeue will dump core.* logs to user home

#898 superstar54 opened 4 weeks ago
0
Rename localhost-hq to localhost (or did we decide not to do it?)

#897 superstar54 closed 2 weeks ago
1
Put a guide on how to load Downloaded data in MaterialsCloud

#896 mikibonacci opened 4 weeks ago
0
Bug report: Application crashed with ValueError

#895 cpignedoli opened 1 month ago
0
Confirm button does not work when go back to previous step

#894 superstar54 closed 2 days ago
2
Prepare the text for the in-app-guide

#892 superstar54 opened 1 month ago
0
Start a new calculation button does not work because the pop-up is prevented by my browser

#891 superstar54 opened 1 month ago
0