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mikibonacci / aiidalab-qe-vibroscopy

MIT License
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Overrides is not updated #61

Closed AndresOrtegaGuerrero closed 3 months ago

AndresOrtegaGuerrero commented 3 months ago

the advanced configuration settings arent used in the workchains.

AndresOrtegaGuerrero commented 3 months ago

@mikibonacci This one is puzzling me , it is not using Smearing width or others. i tested for the Harmonic and the Iraman... and it doesnt work

mikibonacci commented 3 months ago

mmm, interesting in a bad way... let me check. Thanks for bringing up this!

mikibonacci commented 3 months ago

I will see if I can fix this in this PR, which I would like to merge tomorrow if possible

mikibonacci commented 3 months ago

Done here, in the PR commit. However, if you don't have time to review and you need the bugfix, I can do a PR only for the single commit. I think the PR should be easy as I merged main into that before submitting the pr.

AndresOrtegaGuerrero commented 3 months ago

Done here, in the PR commit. However, if you don't have time to review and you need the bugfix, I can do a PR only for the single commit. I think the PR should be easy as I merged main into that before submitting the pr.

How this commit fix the issue ?

mikibonacci commented 3 months ago

The full pw override was put to be equal to a dictionary containing metadata stuff, but it was wrong as the metadata stuff should be in the correct "metadata" key of the pw dictionary. Doing in that way, the full pw override was overridden itself, so we lose the info on the advanced config. Should be clear by checking the commit

Check the commit before the last one, should be enough clear?

AndresOrtegaGuerrero commented 3 months ago

I see it now! , thank you ! that was on me!