Smact

What's Changed

Main change
* Fixed bug with `smact_filter` not working with multiprocessing

Automated release notes
* Combined PR by github-actions in https://github.com/WMD-group/SMACT/pull/128
* Bump pytest from 7.2.2 to 7.3.1 by dependabot in https://github.com/WMD-group/SMACT/pull/123
* Bump numpy from 1.24.1 to 1.24.3 by dependabot in https://github.com/WMD-group/SMACT/pull/124
* Bump pre-commit from 3.2.1 to 3.2.2 by dependabot in https://github.com/WMD-group/SMACT/pull/125
* Bump pyupgrade from 3.3.1 to 3.3.2 by dependabot in https://github.com/WMD-group/SMACT/pull/127
* Combined PR by github-actions in https://github.com/WMD-group/SMACT/pull/134
* Bump pytest-subtests from 0.10.0 to 0.11.0 by dependabot in https://github.com/WMD-group/SMACT/pull/131
* Bump pre-commit from 3.2.2 to 3.3.2 by dependabot in https://github.com/WMD-group/SMACT/pull/132
* Bump nbqa from 1.6.3 to 1.7.0 by dependabot in https://github.com/WMD-group/SMACT/pull/133
* Bump pyupgrade from 3.3.2 to 3.4.0 by dependabot in https://github.com/WMD-group/SMACT/pull/130
* Pandas patch by AntObi in https://github.com/WMD-group/SMACT/pull/135
* Bump pandas from 1.5.3 to 2.0.2 by dependabot in https://github.com/WMD-group/SMACT/pull/129
* Added pytest-cov to dev requirements by AntObi in https://github.com/WMD-group/SMACT/pull/143
* Combined PR by github-actions in https://github.com/WMD-group/SMACT/pull/145
* Bump pymatgen from 2023.5.31 to 2023.6.28 by dependabot in https://github.com/WMD-group/SMACT/pull/140
* Bump pyupgrade from 3.4.0 to 3.8.0 by dependabot in https://github.com/WMD-group/SMACT/pull/144
* Bump pre-commit from 3.3.2 to 3.3.3 by dependabot in https://github.com/WMD-group/SMACT/pull/139
* Smact filter patch by AntObi in https://github.com/WMD-group/SMACT/pull/146
* Update screening.py docstrings by AntObi in https://github.com/WMD-group/SMACT/pull/147


**Full Changelog**: https://github.com/WMD-group/SMACT/compare/v2.5.1...v2.5.2

What's Changed

Main update
* Smact filter by AntObi in https://github.com/WMD-group/SMACT/pull/122
The `smact_filter` function now takes a `stoichs` argument which allows users to supply a list of stoichiometric ratios to be considered for generating charge-neutral compositions.

All updates
* Combined PR by github-actions in https://github.com/WMD-group/SMACT/pull/96
* Bump numpy from 1.24.0 to 1.24.1 by dependabot in https://github.com/WMD-group/SMACT/pull/92
* Bump pandas from 1.5.0 to 1.5.2 by dependabot in https://github.com/WMD-group/SMACT/pull/93
* Bump pre-commit from 2.20.0 to 2.21.0 by dependabot in https://github.com/WMD-group/SMACT/pull/94
* Bump nbqa from 1.5.3 to 1.6.0 by dependabot in https://github.com/WMD-group/SMACT/pull/95
* Bump scipy from 1.9.1 to 1.9.3 by dependabot in https://github.com/WMD-group/SMACT/pull/91
* Code coverage by AntObi in https://github.com/WMD-group/SMACT/pull/97
* future v 0.18.2 -> 0.18.3 by dandavies99 in https://github.com/WMD-group/SMACT/pull/98
* update pre-commit-config.yaml by AntObi in https://github.com/WMD-group/SMACT/pull/105
* Combined PR by github-actions in https://github.com/WMD-group/SMACT/pull/106
* Bump nbqa from 1.6.0 to 1.6.1 by dependabot in https://github.com/WMD-group/SMACT/pull/103
* Bump scipy from 1.9.3 to 1.10.0 by dependabot in https://github.com/WMD-group/SMACT/pull/99
* Bump pre-commit from 2.21.0 to 3.0.2 by dependabot in https://github.com/WMD-group/SMACT/pull/102
* Combined PR by github-actions in https://github.com/WMD-group/SMACT/pull/107
* Bump pytest from 7.2.0 to 7.2.1 by dependabot in https://github.com/WMD-group/SMACT/pull/100
* Bump black from 22.12.0 to 23.1.0 by dependabot in https://github.com/WMD-group/SMACT/pull/101
* Combined PR by github-actions in https://github.com/WMD-group/SMACT/pull/113
* Bump scipy from 1.10.0 to 1.10.1 by dependabot in https://github.com/WMD-group/SMACT/pull/108
* Bump pytest-subtests from 0.9.0 to 0.10.0 by dependabot in https://github.com/WMD-group/SMACT/pull/109
* Bump pre-commit from 3.0.2 to 3.1.1 by dependabot in https://github.com/WMD-group/SMACT/pull/110
* Bump nbqa from 1.6.1 to 1.6.3 by dependabot in https://github.com/WMD-group/SMACT/pull/111
* Bump isort from 5.11.4 to 5.12.0 by dependabot in https://github.com/WMD-group/SMACT/pull/112
* Combined PR by github-actions in https://github.com/WMD-group/SMACT/pull/119
* Bump black from 23.1.0 to 23.3.0 by dependabot in https://github.com/WMD-group/SMACT/pull/115
* Bump pandas from 1.5.2 to 1.5.3 by dependabot in https://github.com/WMD-group/SMACT/pull/117
* Bump pytest from 7.2.1 to 7.2.2 by dependabot in https://github.com/WMD-group/SMACT/pull/118
* Combined PR by github-actions in https://github.com/WMD-group/SMACT/pull/120
* Bump pre-commit from 3.1.1 to 3.2.1 by dependabot in https://github.com/WMD-group/SMACT/pull/114
* Bump pymatgen from 2022.11.7 to 2023.3.23 by dependabot in https://github.com/WMD-group/SMACT/pull/116
* Smact filter by AntObi in https://github.com/WMD-group/SMACT/pull/122



**Full Changelog**: https://github.com/WMD-group/SMACT/compare/v2.5.0...v2.5.1

What's Changed
* /Users/jiwoolee by JiwooChloeLee in https://github.com/WMD-group/SMACT/pull/79
* CI updates by AntObi in https://github.com/WMD-group/SMACT/pull/80
* Combined PR by github-actions in https://github.com/WMD-group/SMACT/pull/86
* Bump pathos from 0.2.9 to 0.3.0 by dependabot in https://github.com/WMD-group/SMACT/pull/81
* Bump spglib from 1.16.5 to 2.0.2 by dependabot in https://github.com/WMD-group/SMACT/pull/82
* Bump isort from 5.11.2 to 5.11.4 by dependabot in https://github.com/WMD-group/SMACT/pull/83
* Bump numpy from 1.23.3 to 1.24.0 by dependabot in https://github.com/WMD-group/SMACT/pull/84
* Bump pymatgen from 2022.9.21 to 2022.11.7 by dependabot in https://github.com/WMD-group/SMACT/pull/85
* Mp api updates by AntObi in https://github.com/WMD-group/SMACT/pull/87
* Usage and doc updates by AntObi in https://github.com/WMD-group/SMACT/pull/88
* updated README.md and setup.py by AntObi in https://github.com/WMD-group/SMACT/pull/89
* Update setup.py by AntObi in https://github.com/WMD-group/SMACT/pull/90

New Contributors
* github-actions made their first contribution in https://github.com/WMD-group/SMACT/pull/86
* dependabot made their first contribution in https://github.com/WMD-group/SMACT/pull/81

**Full Changelog**: https://github.com/WMD-group/SMACT/compare/v2.4.2...v2.5.0

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

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

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