Releases: usnistgov/alignn
Releases · usnistgov/alignn
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
v2023.05.20
- Add reverse forces
- Fix keep_data_order default option to True
- Add ALIGNN-FF wt0.1 model
v2023.05.03
- Added radius graph
- Modified stress calculator
- Revised model
v2023.04.30
- Fix atomwise_output_features as in issue #98
v2023.04.01
- Supercon models added
- Fix train outputs
- version update
v2023.01.10
Adding package_data in setup.py for allowing ALIGNN-FF
v2023.01.09
Added init.py ff , else cannot import ALIGNN-FF.