Published December 14, 2022
| Version v2.4.2
Software
Open
WMD-group/SMACT: v2.4.2
Authors/Creators
- 1. STFC
- 2. @WMD-group @ImperialCollegeLondon
- 3. Imperial College London
- 4. @WMD-group
- 5. Yonsei
- 6. University of Bath
- 7. Electronic Structure Heavy Industries
- 8. TeeMee Ltd
- 9. The George Washington University
- 10. Lawrence Berkeley National Lab, UC Berkeley
Description
What's Changed
- Oxidation states docs by @AntObi in https://github.com/WMD-group/SMACT/pull/70
- Examples have been updated to run using python3 by @AntObi in https://github.com/WMD-group/SMACT/pull/69
- Oxidation states model example updates by @AntObi in https://github.com/WMD-group/SMACT/pull/68
- Dopant prediction docs by @AntObi in https://github.com/WMD-group/SMACT/pull/71
- Add pre-commit hooks and formatting to CI by @dandavies99 in https://github.com/WMD-group/SMACT/pull/72
- Ran pre-commit on all files by @AntObi in https://github.com/WMD-group/SMACT/pull/73
- Updated pre-commit hooks (now includes jupyter) by @AntObi in https://github.com/WMD-group/SMACT/pull/77
Full Changelog: https://github.com/WMD-group/SMACT/compare/v2.4.1...v2.4.2
Files
WMD-group/SMACT-v2.4.2.zip
Files
(5.7 MB)
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md5:fdf11f1f649b682517466b6ce6e9dd81
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Additional details
Related works
- Is supplement to
- https://github.com/WMD-group/SMACT/tree/v2.4.2 (URL)