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aiidateam / aiida-core

The official repository for the AiiDA code
https://aiida-core.readthedocs.io
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Add `calcfunction`, `workfunction` to default environment in verdi shell #3572

Open giovannipizzi opened 4 years ago

giovannipizzi commented 4 years ago

I think these are quite useful, and might be good to have them available by default in verdi shell? Other things?

sphuber commented 4 years ago

Maybe run and submit?

sphuber commented 4 years ago

Just came across this issue and am now thinking that adding calcfunction and workfunction is maybe not best idea. Other than using them for quick demo's, I am not sure that one should want to use them for real often in a shell. In this case it won't be able to store the "source" of the function and so you lose more provenance than you might want.

ramirezfranciscof commented 4 years ago

What do you mean "it won't be able to store the source of the function"? That there is no node for the script in the same way that there is a node for an external code? Isn't the content of the script anyways stored in the repository?