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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Fix MD file names #287

Closed ElliottKasoar closed 2 months ago

ElliottKasoar commented 2 months ago

Resolves #286

Contrary to my comment in the linked issue, I think having self.file_prefix become the default if it's not otherwise specified is probably necessary.

This means we can only set the parameter prefix when the input file_prefix is known, on init.

I don't think this is a problem though, as it's not something that makes sense for the user to update after init, since we can't usually distinguish between an output file that was built from one that the user defined anyway.