Update and add unit tests

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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Update and add unit tests #62

Open ElliottKasoar opened 1 year ago

ElliottKasoar commented 1 year ago

Recent changes to the code are likely to have broken some of the unit tests, and new units tests have not been written to cover additional functionality.

We may also want to add automation of unit testing.