mctools / ncrystal

NCrystal : a library for thermal neutron transport in crystals and other materials
https://mctools.github.io/ncrystal/
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Need periodic systematic check against upstream databases #159

Open tkittel opened 6 months ago

tkittel commented 6 months ago

As upstream databases evolve (or even deprecate certain entries, e.g. https://docs.materialsproject.org/changes/database-versions) we should make sure we catch any changes affecting our data library. When it comes to crystal structures, a check based on the current validation plots might be sufficient. For e.g. material project ID's, it might be relevant to query and ask for the deprecated flag (or, better, some sort of time stamp of when the database was updated... assuming they do that and not just deprecate them).