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stfc / janus-core

Tools for machine learnt interatomic potentials
https://stfc.github.io/janus-core/
BSD 3-Clause "New" or "Revised" License
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Update sevenn #236

Closed ElliottKasoar closed 1 month ago

ElliottKasoar commented 1 month ago

Resolves #235

Also fixes a test that a single point test, as unlike setting the calculator, SinglePointonly takes model_path or calc_kwargs, so cannot take model.