aiidateam / aiida-core

The official repository for the AiiDA code
https://aiida-core.readthedocs.io
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See if the documentation on how to write a CalcJob plugin is complete #3018

Closed giovannipizzi closed 5 years ago

giovannipizzi commented 5 years ago

Check if all the content from the old docs at this link (that used to be a documentation specific to Quantum ESPRESSO) is now in some way explained in the current docs (in the section working with CalcJobs)

d-tomerini commented 5 years ago

@giovannipizzi everything is explained in the new section. There are only two very minor things that I noticed:

If you consider these important I'll create a PR to address it.

giovannipizzi commented 5 years ago

Thanks @d-tomerini! I'm pinging also @sphuber because I think he's been recently working on those sections, and maybe he can answer better to your question

sphuber commented 5 years ago

Thanks for going through this @d-tomerini . Regarding the vaiid_type, I double checked and in the calculation job docs it indeed only gives example of single type, but directly there I also link to the more generic and detailed process documentation that does state that tuples are also accepted.

Regarding the warning about hard-coding: I looked at the original note and don't find it to be very clear. If I understand it correctly it also seems to be a bit specific to the Quantum ESPRESSO example that is used. For me it does not seem necessary to include.

So in short, I think this issue can be closed without PR. @giovannipizzi let me know if that's ok

giovannipizzi commented 5 years ago

OK for me, thanks to both!