Smact

Latest version: v2.5.5

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2.4.2

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

2.4.1

What's Changed
* Oxidation states from Wikipedia by AntObi in https://github.com/WMD-group/SMACT/pull/63

- Added another set of oxidation states (`oxidation_states_wiki`) to the data directory from (https://en.wikipedia.org/wiki/Template:List_of_oxidation_states_of_the_elements)
- Updated SMACT to load in these new oxidation states in the `Element` class and through the `smact_filter` function.
- A warning is displayed if `smact_filter` is used with the wiki oxidation states

**Full Changelog**: https://github.com/WMD-group/SMACT/compare/v2.4.0...v2.4.1

2.4.0

What's Changed
* Dopant prediction by JiwooChloeLee in https://github.com/WMD-group/SMACT/pull/59
* fix tests and move to GitHub Actions by dandavies99 in https://github.com/WMD-group/SMACT/pull/60
* update setup.py and README by AntObi in https://github.com/WMD-group/SMACT/pull/62

New Contributors
* JiwooChloeLee made their first contribution in https://github.com/WMD-group/SMACT/pull/59

**Full Changelog**: https://github.com/WMD-group/SMACT/compare/v2.3.3.1...v2.4.0

2.3.3.1

What's Changed
* update setup.py by AntObi in https://github.com/WMD-group/SMACT/pull/54


**Full Changelog**: https://github.com/WMD-group/SMACT/compare/v2.3.3...v2.3.3.1

2.3.3

What's Changed
* Update screening.py by AntObi in https://github.com/WMD-group/SMACT/pull/52
* added average radii to the Species class by AntObi in https://github.com/WMD-group/SMACT/pull/53
* `Species.average_shannon_radius` and `Species.average_ionic_radius` are the new properties available to the Species class


**Full Changelog**: https://github.com/WMD-group/SMACT/compare/v2.3.2...v2.3.3

2.3.2

What's Changed
* V2.3.1 by AntObi in https://github.com/WMD-group/SMACT/pull/45
* update setup.py by AntObi in https://github.com/WMD-group/SMACT/pull/46
* Switchable oxidation states by AntObi in https://github.com/WMD-group/SMACT/pull/51


**Full Changelog**: https://github.com/WMD-group/SMACT/compare/v2.3.1...v2.3.2

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