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mikibonacci / aiidalab-qe-vibroscopy

MIT License
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removing unused Class, updating resources #53

Closed AndresOrtegaGuerrero closed 4 months ago

AndresOrtegaGuerrero commented 4 months ago

merge once there is the new release

mikibonacci commented 4 months ago

Hi @AndresOrtegaGuerrero, this is great! The only thing that I see is that we let the user to run phonopy in parallel, which is not possible (with the phono3py it is actually). I do not see it as a problem, but maybe we should modify it to not allow to increase the tasks. I already know how to do this, I did something similar for the muon app here. I can do it hopefully in the next two weeks

AndresOrtegaGuerrero commented 4 months ago

Thank you Miki, i thought the workchain will overruled this, i will try to modify and do a test for this :)

mikibonacci commented 4 months ago

Yes, you are right, it should override to run serially, was just that maybe we let the user think to run phonopy in parallel but it is not true. I explained myself poorly :)