nomad-coe / electronic-parsers

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131 fhi aims unclear extraction of species #138

Open ndaelman-hu opened 12 months ago

ndaelman-hu commented 12 months ago

This is an intermediate implementation. It removes controlInOut for controlIn, which has been patched. It also introduces general functions for producing tier hashes.

The latter still have to be applied, but this requires an update of the tier references. Atm, this was done in an external project, but I can make it run locally. I just need to merge this first.

Maybe we can already merge this and add the rest later? Depends on how much time I get to work on this.

Closes #131 and https://gitlab.mpcdf.mpg.de/nomad-lab/nomad-FAIR/-/issues/1576