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Overhaul of pseudofamily identifiers and tarballs #1
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@unkcpz We discussed names for pseudopotentials by mail at some point. Have you guys at SSSP / Aiida reached a conclusion on that front ? |
@mfherbst, at the moment I change the schema to partially as you suggested (more detail to metadata and only distinguishable arguments in the filename). Next week I'll have a in person meeting with Nicola, and will confirm on it. I'll keep you updated. |
Thanks @unkcpz . Any news ? |
Had the meeting yesterday, I reply the decision on email. The typical naming will be: |
Ok, so we will use the same for families, but just dropping the element-specific aspects. |
The current identfier system is a little confusing and not fully consistent.
Moreover current artefacts don't contain the pseudofiles under a consistent name either (e.g. the HGH ones sometimes contain two pseudopotential files for one element --- one for fullcore and one for semicore).
Both needs to be harmonised here and in https://github.com/JuliaMolSim/PseudoLibrary.
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