mikibonacci / aiidalab-qe-vibroscopy

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Display which workchain property is run #22

Closed AndresOrtegaGuerrero closed 2 months ago

AndresOrtegaGuerrero commented 11 months ago

When selecting the workchain in aiidalab-qe , instead of displaying vibronic , it should display the property, like iraman, phonon bands, phonons pdos, dielectric constant ....

mikibonacci commented 11 months ago

Do you mean in the outputs?

AndresOrtegaGuerrero commented 11 months ago
Screenshot 2023-12-02 at 10 25 44

Like one thing we need to bring to the discussion of the aiidalab-qe app , is a search engine, this part once you have different calculations is quite difficult

mikibonacci commented 9 months ago

Hi @AndresOrtegaGuerrero, I think we should then split into two workchains: vibronic, in case of HarmonicWorkChain and PhononWorkchain, and IRamanWorkChain. The at this point we should also make runnable directly the DielectricWorkchain.

However, this goes back to the previous implementation. But I think it is the only way to show explicitely what you are running.

Maybe there is the possibility to modify the worktree directly, to easily inspect the true workchain. I am thinking about this as we were discussing about changing its logic/view

mikibonacci commented 2 months ago

closing this issue, now we can put tags and labels attached to the run.