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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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Change default output extensions to extxyz #222

Closed ElliottKasoar closed 1 month ago

ElliottKasoar commented 1 month ago

Aims to address part of #206, requested by @alinelena:

  • Change default output extensions from .xyz to .extxyz