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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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Check required files exist before n2p2 prep #10

Closed ElliottKasoar closed 1 year ago

ElliottKasoar commented 1 year ago

Resolves #7

Similarly, catches a missing input.nn earlier, with a more helpful error message.