Changelog

All notable changes to this project will be documented in this file.

[2.1.0] - 2020-12-21

Added

  • Polynomial symmetry functions (Martin P. Bircher and Andreas Singraber).

  • Better symmetry function cache mechanism.

  • Documentation updates.

[2.0.0] - 2020-10-05

Added

  • Training library (Multi-stream Kalman filter training).

  • Tools for HDNNP data set handling, etc.

  • Python interface (basic functionality).

  • Sphinx documentation (+ Doxygen API reference).

  • CabanaMD interface (by Saaketh Desai and Sam Reeve)

Changed

  • License change from MPL 2.0 to GPL v3 or later.

[1.0.0] - 2018-08-13

Added

  • Core library (NN, symmetry functions, …).

  • LAMMPS interface.

  • Documentation (in parts) via doxygen.