Change log

2024.6.13

  • Misc bug and doc fixes.
  • Code cleanup.

v2023.9.9

  • Added DIRECT sampling approach in maml.sampling.

v2022.9.20

  • Bug fix for BOWSR failing because of indexing in some instances.

v2021.1.28

  • Fix SNAP stress components
  • Fix unexpected test outcome in BOWSR and symbolic regression

v2021.12.13

  • Update dependencies
  • Fix bugs

v2021.10.13

  • add bowsr

v2021.3.2

  • Set up namespace package architecture for maml.apps. The RFXAS package is now available as a separate package maml-apps.rfxas. Usage remains similar.

v2021.2.27

  • maml is now compatible with both mlip-2 and mlip-dev

v0.0.4

  • bug fix
  • compatibility with new n2p2 and mlip software
  • upgrade rfxas

v0.0.3

  • bug fix
  • add atomsets models

v0.0.2

  • major refactor
  • move mlearn potential energy surfaces to apps
  • fix potential problem of rotated structure in lammps
  • add rfxas app
  • add initial symbolic regression app
  • add megnet-based describers

v0.0.1

  • initial release
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