Releases: usnistgov/alignn
Releases · usnistgov/alignn
v2024.4.10
- Added InterMat CBM/VBM models
v2024.3.24
- Add environment.yml file for conda based GitHub actions
v2024.3.4
v2024.1.14
v2023.08.01
- Added multiple ALIGNN-FF and Catalyst specific pretrained models
- Added options to save best and last models
- Updated restart model path option
- Added line graph on fly option
v2023.07.10
- Moved ALIGNN-FF models to figshare to reduce GitHub repo size.
v2023.07.01
- Add ALIGNN-FD and Mlearn models
- Add option for direct stress in atomwiese
- Add phonopy based phonons
- Use fmult option as default
v2023.06.20
- Update ALIGNN-FF wt0.1 name because '.' was causing importing issue
v2023.05.31
- Fix data order seed for train_folder_ff
v2023.05.25
- Fix keep_data_order option