Handle workflows in psi4 correctly

[ladinesa]

The results for each of the modules in psi4 should be written in separate archives rather than in calculation sections under run,

[JosePizarro3]

Hi @ladinesa, I was browsing the issues and I was curious about what do you want to cover here. I was reading a bit the Psi4 documentation, and it seems that the code is pretty much wavefunctions-based.

I saw some parsed quantities for CC, MCSCF, MP2, etc. Maybe it is a good moment to use this as an example for preparing some metadata for what I would call postHF methods. What do you think? If so, I can start to take a look into this code, preparing some basic metadata, and then improve later on.

Besides, are the devs of Psi4 using NOMAD?

[ladinesa]

Sure, you can work on the metainfo def.