stfc / janus

collection of scripts to train and generate data for machine learnt interatomic potentials
BSD 3-Clause "New" or "Revised" License
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Add custom parameter rule #27

Closed ElliottKasoar closed 1 year ago

ElliottKasoar commented 1 year ago

We could implement a new algorithm rather than passing values explicitly, but the grids we pass can always be generated within notebooks algorithmically if there is something specific we have in mind, and additional rules can be created.