Marnik Bercx
Marnik Bercx
Also see @ramirezfranciscof's comment in https://github.com/aiidateam/aiida-tutorials/issues/329#issue-907362621
Note: we currently add useful Python links to the margins as [described in the wiki](https://github.com/aiidateam/aiida-tutorials/wiki/Moving-to-using-MyST-Markdown#further-reading). Will try to give sections a pass and add some more of these before closing...
Thanks @qiaojunfeng! Maybe I'm misunderstanding, but doesn't `parse_output_base` simply append these errors to the logging container? In the end, the parser that calls this function can still decide which exit...
Thanks @sphuber. Just of the top of my head, but will have to discuss with @simonpintarelli: 1. There is a new input card called `DIRECT_MINIMIZATION`, so the prepare for submission...
Some quick notes from a discussion with @sphuber on the topic, working backwards through the 3 issues: ### C How to override inputs One important argument to keeping the `overrides`...
See my example for the restructuring: https://aiida-tutorials--326.org.readthedocs.build/en/326/sections/calculations/index.html There you have badges to corresponding tutorial pages for the other plugins. Of course, we won't find a corresponding module for all the...
Thanks for raising the issue @lorisercole and for the comments @pietrodelugas! In general I'm a little apprehensive towards overriding user inputs silently in a work chain, because there might always...
Thanks @lorisercole. Have to think a bit about what the best API for this would be. A settings key for the `PwCalculation` is definitely more hidden, and it feels more...
Thanks for the comments, @bosonie! > I think that I am coming to the realization that allowing code implementations to add inputs to the CommonRelaxInputGenerator must be discouraged. In fact,...
@flavianojs I think we already discussed this. Please close if you fixed this! 🙏