Release v0.6.3b0 · stfc/janus-core

What's Changed

Promote CHGNET and M3GNET to full dependencies by @ElliottKasoar in #192
Add initial dev documentation by @ElliottKasoar in #195
Downgrade seekpath for aiida-quantumespresso compatibility by @ElliottKasoar in #197
Change pressure from bar to GPa by @ElliottKasoar in #201
Track carbon usage for calculations by @ElliottKasoar in #203
Fix writing structures for phonons and EoS by @ElliottKasoar in #204
Fix setting devices by @ElliottKasoar in #208
Add ALIGNN as optional MLIP by @ElliottKasoar in #194
correct units for pressure, previously were not set for geometry opti… by @alinelena in #210
Increase precision of MD stats by @ElliottKasoar in #212
Unify model path inputs for MLIPs by @ElliottKasoar in #213
Add final file option for MD by @ElliottKasoar in #215
Update MACE version by @ElliottKasoar in #220
Tidy MD stats variable names by @ElliottKasoar in #216
Fix setting calculator for list of Atoms by @ElliottKasoar in #218
Change default output extensions to extxyz by @ElliottKasoar in #222
Add correlator with stress correlations by @harveydevereux in #189
Update Atoms info from calculated results by @ElliottKasoar in #221

Full Changelog: v0.6.2...v0.6.3b0