Change log

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