Add Bussi thermostat - Githubissues

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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Open ElliottKasoar opened 1 month ago

ElliottKasoar commented 1 month ago

Now available via ASE: https://wiki.fysik.dtu.dk/ase/ase/md.html#module-ase.md.bussi, although not currently in any tagged release.

This could potentially be added similarly to #194, with an accompanying developer tutorial.