# Changelog

## [v4.0.0](https://github.com/WMD-group/SMACT/tree/v4.0.0) (2026-03-03)

[Full Changelog](https://github.com/WMD-group/SMACT/compare/v3.2.0...v4.0.0)

**Implemented enhancements:**

- WIP feat: SMACT Property Prediction Module [\#448](https://github.com/WMD-group/SMACT/issues/448)
- \[WIP\] ElementEmbeddings integration [\#442](https://github.com/WMD-group/SMACT/pull/442) ([AntObi](https://github.com/AntObi))
- WIP: Support validity for mixed valence compounds [\#441](https://github.com/WMD-group/SMACT/pull/441) ([utf](https://github.com/utf))

**Closed issues:**

- UserWarning when assessing the validity of compounds with noble gases [\#585](https://github.com/WMD-group/SMACT/issues/585)

**Merged pull requests:**

- chore: merge develop into master \(v4.0.0\) [\#603](https://github.com/WMD-group/SMACT/pull/603) ([KingaMas](https://github.com/KingaMas))
- chore: v4.0.0 audit — type annotations, bug fixes, CI hardening [\#602](https://github.com/WMD-group/SMACT/pull/602) ([KingaMas](https://github.com/KingaMas))
- Release 4.0.0 [\#595](https://github.com/WMD-group/SMACT/pull/595) ([KingaMas](https://github.com/KingaMas))
- chore: upgrade dependencies to resolve [\#589](https://github.com/WMD-group/SMACT/pull/589) ([KingaMas](https://github.com/KingaMas))
- Fix TypeError crash for noble gases with explicit oxidation state sets [\#588](https://github.com/WMD-group/SMACT/pull/588) ([KingaMas](https://github.com/KingaMas))
- pre-commit autoupdate [\#584](https://github.com/WMD-group/SMACT/pull/584) ([pre-commit-ci[bot]](https://github.com/apps/pre-commit-ci))

## [v3.2.0](https://github.com/WMD-group/SMACT/tree/v3.2.0) (2025-07-31)

[Full Changelog](https://github.com/WMD-group/SMACT/compare/v3.1.0...v3.2.0)

**Closed issues:**

- ICSD24 details clarification [\#427](https://github.com/WMD-group/SMACT/issues/427)

**Merged pull requests:**

- Update version number [\#438](https://github.com/WMD-group/SMACT/pull/438) ([AntObi](https://github.com/AntObi))

## [v3.1.0](https://github.com/WMD-group/SMACT/tree/v3.1.0) (2025-04-02)

[Full Changelog](https://github.com/WMD-group/SMACT/compare/v3.0.2...v3.1.0)

**Breaking changes:**

- Updated oxidation.py and its tests [\#366](https://github.com/WMD-group/SMACT/pull/366) ([KingaMas](https://github.com/KingaMas))

**Implemented enhancements:**

- Changes to the smact_validity function to allow for early short-circuiting resolving issue \#378 [\#379](https://github.com/WMD-group/SMACT/pull/379) ([ryannduma](https://github.com/ryannduma))
- SMACT Metallicity Handling Enhancements [\#367](https://github.com/WMD-group/SMACT/pull/367) ([ryannduma](https://github.com/ryannduma))

**Fixed bugs:**

- Chore/remove data in docs tutorials [\#383](https://github.com/WMD-group/SMACT/pull/383) ([AntObi](https://github.com/AntObi))
- fix: correct function call for d block element count [\#371](https://github.com/WMD-group/SMACT/pull/371) ([AntObi](https://github.com/AntObi))
- Fix the MP URL to ensure tests run [\#365](https://github.com/WMD-group/SMACT/pull/365) ([AntObi](https://github.com/AntObi))

**Closed issues:**

- Function smact_validity slow [\#378](https://github.com/WMD-group/SMACT/issues/378)

**Merged pull requests:**

- Update version numbers [\#394](https://github.com/WMD-group/SMACT/pull/394) ([AntObi](https://github.com/AntObi))
- Feat/more uv changes [\#393](https://github.com/WMD-group/SMACT/pull/393) ([AntObi](https://github.com/AntObi))
- Update dependabot.yml [\#391](https://github.com/WMD-group/SMACT/pull/391) ([AntObi](https://github.com/AntObi))
- \[pre-commit.ci\] pre-commit autoupdate [\#387](https://github.com/WMD-group/SMACT/pull/387) ([pre-commit-ci[bot]](https://github.com/apps/pre-commit-ci))
- Added 'main' to 'commonality' parameter in the 'filter' function [\#386](https://github.com/WMD-group/SMACT/pull/386) ([KingaMas](https://github.com/KingaMas))
- Remove redundant pre-commit qa in Actions [\#385](https://github.com/WMD-group/SMACT/pull/385) ([AntObi](https://github.com/AntObi))
- Feat/add python 3.13 support [\#384](https://github.com/WMD-group/SMACT/pull/384) ([AntObi](https://github.com/AntObi))
- Updating tutorials [\#382](https://github.com/WMD-group/SMACT/pull/382) ([KingaMas](https://github.com/KingaMas))
- Updating tutorials [\#381](https://github.com/WMD-group/SMACT/pull/381) ([KingaMas](https://github.com/KingaMas))
- \[pre-commit.ci\] pre-commit autoupdate [\#377](https://github.com/WMD-group/SMACT/pull/377) ([pre-commit-ci[bot]](https://github.com/apps/pre-commit-ci))
- \[WIP\] Update continuous integration and contributing guide [\#368](https://github.com/WMD-group/SMACT/pull/368) ([AntObi](https://github.com/AntObi))
- Add a Changelog to the Documentation [\#364](https://github.com/WMD-group/SMACT/pull/364) ([AntObi](https://github.com/AntObi))
- Drop setup.py [\#363](https://github.com/WMD-group/SMACT/pull/363) ([AntObi](https://github.com/AntObi))
- Sync Develop Branch with Master branch [\#362](https://github.com/WMD-group/SMACT/pull/362) ([AntObi](https://github.com/AntObi))

## [v3.0.2](https://github.com/WMD-group/SMACT/tree/v3.0.2) (2025-01-13)

[Full Changelog](https://github.com/WMD-group/SMACT/compare/v3.0.1...v3.0.2)

**Fixed bugs:**

- Include crystal space utils in package build [\#361](https://github.com/WMD-group/SMACT/pull/361) ([AntObi](https://github.com/AntObi))
- Make the Materials Project tests optional [\#360](https://github.com/WMD-group/SMACT/pull/360) ([AntObi](https://github.com/AntObi))

**Merged pull requests:**

- Correct the python version in the docs [\#359](https://github.com/WMD-group/SMACT/pull/359) ([KingaMas](https://github.com/KingaMas))

## [v3.0.1](https://github.com/WMD-group/SMACT/tree/v3.0.1) (2024-12-18)

[Full Changelog](https://github.com/WMD-group/SMACT/compare/v3.0...v3.0.1)

**Implemented enhancements:**

- Update doper.py [\#351](https://github.com/WMD-group/SMACT/pull/351) ([AntObi](https://github.com/AntObi))

**Fixed bugs:**

- Updated MP test files for the Structure prediction module [\#350](https://github.com/WMD-group/SMACT/pull/350) ([AntObi](https://github.com/AntObi))

**Merged pull requests:**

- Merge develop branch into master [\#352](https://github.com/WMD-group/SMACT/pull/352) ([AntObi](https://github.com/AntObi))
- Update develop branch in line with master branch [\#349](https://github.com/WMD-group/SMACT/pull/349) ([AntObi](https://github.com/AntObi))
- Merge master into develop branch [\#335](https://github.com/WMD-group/SMACT/pull/335) ([AntObi](https://github.com/AntObi))

## [v3.0](https://github.com/WMD-group/SMACT/tree/v3.0) (2024-12-02)

[Full Changelog](https://github.com/WMD-group/SMACT/compare/v2.8...v3.0)

**Breaking changes:**

- Change default oxidation states from SMACT14 to ICSD24 [\#346](https://github.com/WMD-group/SMACT/pull/346) ([AntObi](https://github.com/AntObi))

**Implemented enhancements:**

- Move to ruff for linting and formatting [\#297](https://github.com/WMD-group/SMACT/issues/297)
- Running examples from a browser [\#67](https://github.com/WMD-group/SMACT/issues/67)
- Migrate CI dependency installation from pip to uv [\#338](https://github.com/WMD-group/SMACT/pull/338) ([AntObi](https://github.com/AntObi))
- Structure prediction fixes [\#336](https://github.com/WMD-group/SMACT/pull/336) ([AntObi](https://github.com/AntObi))
- Move towards using Ruff as a linter and formatter [\#302](https://github.com/WMD-group/SMACT/pull/302) ([AntObi](https://github.com/AntObi))

**Fixed bugs:**

- Try MP_API_KEY in Github Actions [\#332](https://github.com/WMD-group/SMACT/pull/332) ([AntObi](https://github.com/AntObi))

**Closed issues:**

- Can the upper pin on pymatgen be removed? [\#316](https://github.com/WMD-group/SMACT/issues/316)
- Low code coverage [\#163](https://github.com/WMD-group/SMACT/issues/163)

**Merged pull requests:**

- Bump release v3 [\#347](https://github.com/WMD-group/SMACT/pull/347) ([AntObi](https://github.com/AntObi))

## [v2.8](https://github.com/WMD-group/SMACT/tree/v2.8) (2024-09-26)

[Full Changelog](https://github.com/WMD-group/SMACT/compare/v2.7...v2.8)

**Merged pull requests:**

- Bump min python version to 3.10 and update metadata [\#318](https://github.com/WMD-group/SMACT/pull/318) ([AntObi](https://github.com/AntObi))

## [v2.7](https://github.com/WMD-group/SMACT/tree/v2.7) (2024-08-30)

[Full Changelog](https://github.com/WMD-group/SMACT/compare/v2.6...v2.7)

**Implemented enhancements:**

- Any special considerations for superconductors? [\#56](https://github.com/WMD-group/SMACT/issues/56)
- Issue of the charge neutrality check function [\#55](https://github.com/WMD-group/SMACT/issues/55)
- Gradient information for chemical filters [\#47](https://github.com/WMD-group/SMACT/issues/47)
- Develop branch updates in preparation for new release [\#308](https://github.com/WMD-group/SMACT/pull/308) ([AntObi](https://github.com/AntObi))
- Utility module updates [\#307](https://github.com/WMD-group/SMACT/pull/307) ([AntObi](https://github.com/AntObi))
- Nvalence_modification [\#290](https://github.com/WMD-group/SMACT/pull/290) ([AntObi](https://github.com/AntObi))

**Merged pull requests:**

- VEC function integration into smact.properties with a test file to serve as an example for its use. [\#305](https://github.com/WMD-group/SMACT/pull/305) ([ryannduma](https://github.com/ryannduma))
- Restrict pymatgen version due to windows [\#301](https://github.com/WMD-group/SMACT/pull/301) ([AntObi](https://github.com/AntObi))
- Dependabot updates [\#298](https://github.com/WMD-group/SMACT/pull/298) ([AntObi](https://github.com/AntObi))

## [v2.6](https://github.com/WMD-group/SMACT/tree/v2.6) (2024-07-10)

[Full Changelog](https://github.com/WMD-group/SMACT/compare/v2.5.5...v2.6)

**Implemented enhancements:**

- Add oxidation states choice to `smact_validity` [\#281](https://github.com/WMD-group/SMACT/issues/281)

**Fixed bugs:**

- ElementCountsParallel example is non deterministic [\#268](https://github.com/WMD-group/SMACT/issues/268)

**Closed issues:**

- Some Boron Oxidation States Missing [\#278](https://github.com/WMD-group/SMACT/issues/278)
- When to drop support for Python3.8 [\#162](https://github.com/WMD-group/SMACT/issues/162)

**Merged pull requests:**

- Merge develop branch changes into the master branch [\#288](https://github.com/WMD-group/SMACT/pull/288) ([AntObi](https://github.com/AntObi))
- Merge dependabot changes into develop branch [\#287](https://github.com/WMD-group/SMACT/pull/287) ([AntObi](https://github.com/AntObi))
- Preparation for v2.6 [\#286](https://github.com/WMD-group/SMACT/pull/286) ([AntObi](https://github.com/AntObi))
- Add `cmap` option to doper plots [\#285](https://github.com/WMD-group/SMACT/pull/285) ([AntObi](https://github.com/AntObi))

## [v2.5.5](https://github.com/WMD-group/SMACT/tree/v2.5.5) (2023-12-07)

[Full Changelog](https://github.com/WMD-group/SMACT/compare/v2.5.4...v2.5.5)

**Fixed bugs:**

- Oxidation States module currently fails for Structures [\#190](https://github.com/WMD-group/SMACT/issues/190)

**Merged pull requests:**

- Oxidation states [\#191](https://github.com/WMD-group/SMACT/pull/191) ([AntObi](https://github.com/AntObi))
- crystal_space [\#189](https://github.com/WMD-group/SMACT/pull/189) ([hspark1212](https://github.com/hspark1212))

## [v2.5.4](https://github.com/WMD-group/SMACT/tree/v2.5.4) (2023-11-30)

[Full Changelog](https://github.com/WMD-group/SMACT/compare/v2.5.3...v2.5.4)

**Implemented enhancements:**

- Custom states [\#165](https://github.com/WMD-group/SMACT/pull/165) ([AntObi](https://github.com/AntObi))

**Closed issues:**

- Custom oxidation state calls [\#164](https://github.com/WMD-group/SMACT/issues/164)
- Readthedocs is deprecating the "use system packages" feature [\#155](https://github.com/WMD-group/SMACT/issues/155)

**Merged pull requests:**

- Preparing v2.5.4 [\#184](https://github.com/WMD-group/SMACT/pull/184) ([AntObi](https://github.com/AntObi))
- a tiny error in eletronegativity of Zr in element_data.txt [\#181](https://github.com/WMD-group/SMACT/pull/181) ([hspark1212](https://github.com/hspark1212))
- Update ci.yml [\#178](https://github.com/WMD-group/SMACT/pull/178) ([AntObi](https://github.com/AntObi))
- compare ternary/quaternary charge state fixed [\#177](https://github.com/WMD-group/SMACT/pull/177) ([JiwooChloeLee](https://github.com/JiwooChloeLee))

## [v2.5.3](https://github.com/WMD-group/SMACT/tree/v2.5.3) (2023-08-23)

[Full Changelog](https://github.com/WMD-group/SMACT/compare/v2.5.2...v2.5.3)

**Merged pull requests:**

- Structure updates [\#154](https://github.com/WMD-group/SMACT/pull/154) ([AntObi](https://github.com/AntObi))
- Chloe Lee Modify doper_example and doper.py files to a newer version [\#153](https://github.com/WMD-group/SMACT/pull/153) ([JiwooChloeLee](https://github.com/JiwooChloeLee))

## [v2.5.2](https://github.com/WMD-group/SMACT/tree/v2.5.2) (2023-07-14)

[Full Changelog](https://github.com/WMD-group/SMACT/compare/v2.5.1...v2.5.2)

**Merged pull requests:**

- Update screening.py docstrings [\#147](https://github.com/WMD-group/SMACT/pull/147) ([AntObi](https://github.com/AntObi))
- Smact filter patch [\#146](https://github.com/WMD-group/SMACT/pull/146) ([AntObi](https://github.com/AntObi))

## [v2.5.1](https://github.com/WMD-group/SMACT/tree/v2.5.1) (2023-05-02)

[Full Changelog](https://github.com/WMD-group/SMACT/compare/v2.5.0...v2.5.1)

**Implemented enhancements:**

- SMACT Composition templates [\#76](https://github.com/WMD-group/SMACT/issues/76)

**Closed issues:**

- Github actions failing at QA step [\#104](https://github.com/WMD-group/SMACT/issues/104)

**Merged pull requests:**

- Smact filter [\#122](https://github.com/WMD-group/SMACT/pull/122) ([AntObi](https://github.com/AntObi))

## [v2.5.0](https://github.com/WMD-group/SMACT/tree/v2.5.0) (2022-12-22)

[Full Changelog](https://github.com/WMD-group/SMACT/compare/v2.4.2...v2.5.0)

**Implemented enhancements:**

- Need to update some structure_prediction functions for the new MP API [\#75](https://github.com/WMD-group/SMACT/issues/75)

**Merged pull requests:**

- Update setup.py [\#90](https://github.com/WMD-group/SMACT/pull/90) ([AntObi](https://github.com/AntObi))
- updated README.md and setup.py [\#89](https://github.com/WMD-group/SMACT/pull/89) ([AntObi](https://github.com/AntObi))
- Usage and doc updates [\#88](https://github.com/WMD-group/SMACT/pull/88) ([AntObi](https://github.com/AntObi))
- Mp api updates [\#87](https://github.com/WMD-group/SMACT/pull/87) ([AntObi](https://github.com/AntObi))

## [v2.4.2](https://github.com/WMD-group/SMACT/tree/v2.4.2) (2022-12-14)

[Full Changelog](https://github.com/WMD-group/SMACT/compare/v2.4.1...v2.4.2)

**Implemented enhancements:**

- Code formatting and linting [\#61](https://github.com/WMD-group/SMACT/issues/61)

**Fixed bugs:**

- Some examples are python2 only [\#30](https://github.com/WMD-group/SMACT/issues/30)

**Closed issues:**

- oxidation states model not findable from paper [\#66](https://github.com/WMD-group/SMACT/issues/66)
- oxidation_states module missing from docs [\#65](https://github.com/WMD-group/SMACT/issues/65)
- Dopant prediction [\#64](https://github.com/WMD-group/SMACT/issues/64)

**Merged pull requests:**

- Updated pre-commit hooks \(now includes jupyter\) [\#77](https://github.com/WMD-group/SMACT/pull/77) ([AntObi](https://github.com/AntObi))
- Ran pre-commit on all files [\#73](https://github.com/WMD-group/SMACT/pull/73) ([AntObi](https://github.com/AntObi))
- Add pre-commit hooks and formatting to CI [\#72](https://github.com/WMD-group/SMACT/pull/72) ([dandavies99](https://github.com/dandavies99))
- Dopant prediction docs [\#71](https://github.com/WMD-group/SMACT/pull/71) ([AntObi](https://github.com/AntObi))
- Oxidation states docs [\#70](https://github.com/WMD-group/SMACT/pull/70) ([AntObi](https://github.com/AntObi))
- Examples have been updated to run using python3 [\#69](https://github.com/WMD-group/SMACT/pull/69) ([AntObi](https://github.com/AntObi))
- Oxidation states model example updates [\#68](https://github.com/WMD-group/SMACT/pull/68) ([AntObi](https://github.com/AntObi))

## [v2.4.1](https://github.com/WMD-group/SMACT/tree/v2.4.1) (2022-09-22)

[Full Changelog](https://github.com/WMD-group/SMACT/compare/v2.4.0...v2.4.1)

**Closed issues:**

- How to use Smact to detect invalid covalent compounds? [\#58](https://github.com/WMD-group/SMACT/issues/58)
- is it possible to use SMACT to detect valid intermetallic compounds? [\#57](https://github.com/WMD-group/SMACT/issues/57)

**Merged pull requests:**

- wiki oxidation states [\#63](https://github.com/WMD-group/SMACT/pull/63) ([AntObi](https://github.com/AntObi))

## [v2.4.0](https://github.com/WMD-group/SMACT/tree/v2.4.0) (2022-09-20)

[Full Changelog](https://github.com/WMD-group/SMACT/compare/v2.3.3.1...v2.4.0)

**Closed issues:**

- Using of neutral_ratios\(\) method in the case of non-stoichiometric compounds. [\#50](https://github.com/WMD-group/SMACT/issues/50)
- another outdated oxidation states for B [\#36](https://github.com/WMD-group/SMACT/issues/36)

**Merged pull requests:**

- update setup.py and README [\#62](https://github.com/WMD-group/SMACT/pull/62) ([AntObi](https://github.com/AntObi))
- fix tests and move to GitHub Actions [\#60](https://github.com/WMD-group/SMACT/pull/60) ([dandavies99](https://github.com/dandavies99))
- Dopant prediction [\#59](https://github.com/WMD-group/SMACT/pull/59) ([JiwooChloeLee](https://github.com/JiwooChloeLee))

## [v2.3.3.1](https://github.com/WMD-group/SMACT/tree/v2.3.3.1) (2022-07-07)

[Full Changelog](https://github.com/WMD-group/SMACT/compare/v2.3.3...v2.3.3.1)

**Merged pull requests:**

- update setup.py [\#54](https://github.com/WMD-group/SMACT/pull/54) ([AntObi](https://github.com/AntObi))

## [v2.3.3](https://github.com/WMD-group/SMACT/tree/v2.3.3) (2022-07-07)

[Full Changelog](https://github.com/WMD-group/SMACT/compare/v2.3.2...v2.3.3)

**Closed issues:**

- how to use different oxidation states file? [\#48](https://github.com/WMD-group/SMACT/issues/48)

**Merged pull requests:**

- added average radii to the Species class [\#53](https://github.com/WMD-group/SMACT/pull/53) ([AntObi](https://github.com/AntObi))
- Update screening.py [\#52](https://github.com/WMD-group/SMACT/pull/52) ([AntObi](https://github.com/AntObi))

## [v2.3.2](https://github.com/WMD-group/SMACT/tree/v2.3.2) (2022-06-09)

[Full Changelog](https://github.com/WMD-group/SMACT/compare/v2.3.1...v2.3.2)

**Closed issues:**

- how to use SMACT to generate new random compositions? [\#49](https://github.com/WMD-group/SMACT/issues/49)

**Merged pull requests:**

- Switchable oxidation states [\#51](https://github.com/WMD-group/SMACT/pull/51) ([AntObi](https://github.com/AntObi))

## [v2.3.1](https://github.com/WMD-group/SMACT/tree/v2.3.1) (2021-11-04)

[Full Changelog](https://github.com/WMD-group/SMACT/compare/v2.3...v2.3.1)

**Closed issues:**

- SMACT without local installation [\#41](https://github.com/WMD-group/SMACT/issues/41)
- how can we switch to another oxidation states table in your data folder for smact.screening.smact_filter? [\#37](https://github.com/WMD-group/SMACT/issues/37)
- a bug in electronegativity calculation... [\#35](https://github.com/WMD-group/SMACT/issues/35)
- Organise examples and workflows [\#17](https://github.com/WMD-group/SMACT/issues/17)

**Merged pull requests:**

- update setup.py [\#46](https://github.com/WMD-group/SMACT/pull/46) ([AntObi](https://github.com/AntObi))
- V2.3.1 [\#45](https://github.com/WMD-group/SMACT/pull/45) ([AntObi](https://github.com/AntObi))

## [v2.3](https://github.com/WMD-group/SMACT/tree/v2.3) (2021-10-06)

[Full Changelog](https://github.com/WMD-group/SMACT/compare/v2.2...v2.3)

**Fixed bugs:**

- correct oxidation states of Ir [\#33](https://github.com/WMD-group/SMACT/pull/33) ([keeeto](https://github.com/keeeto))

**Closed issues:**

- pymatgen \(v2022.0.\*\) is no longer backwards compatible [\#42](https://github.com/WMD-group/SMACT/issues/42)
- Do you have plan for more advanced Pauling rules for screening module? [\#34](https://github.com/WMD-group/SMACT/issues/34)
- the oxidation states dataset is outdated. Can you guys update it according to wikipedia? [\#32](https://github.com/WMD-group/SMACT/issues/32)
- Bug in the allowed oxidation states of element Ir [\#31](https://github.com/WMD-group/SMACT/issues/31)
- \[StructurePrediction\] Composition errors with the SmactStructure class [\#28](https://github.com/WMD-group/SMACT/issues/28)

**Merged pull requests:**

- Update setup.py [\#44](https://github.com/WMD-group/SMACT/pull/44) ([AntObi](https://github.com/AntObi))
- v2.3 [\#43](https://github.com/WMD-group/SMACT/pull/43) ([AntObi](https://github.com/AntObi))
- Update prediction.py [\#40](https://github.com/WMD-group/SMACT/pull/40) ([AntObi](https://github.com/AntObi))
- Update prediction.py [\#39](https://github.com/WMD-group/SMACT/pull/39) ([AntObi](https://github.com/AntObi))
- V2.2.1 [\#38](https://github.com/WMD-group/SMACT/pull/38) ([a-ws-m](https://github.com/a-ws-m))
- Fixing the method for finding stoichiometries [\#29](https://github.com/WMD-group/SMACT/pull/29) ([AntObi](https://github.com/AntObi))

## [v2.2](https://github.com/WMD-group/SMACT/tree/v2.2) (2019-11-06)

[Full Changelog](https://github.com/WMD-group/SMACT/compare/v2.1...v2.2)

**Closed issues:**

- \[\_\_init\_\_.py\] Species.shannon_radius produces the NoneType [\#25](https://github.com/WMD-group/SMACT/issues/25)

**Merged pull requests:**

- Update \_\_init\_\_.py [\#26](https://github.com/WMD-group/SMACT/pull/26) ([AntObi](https://github.com/AntObi))
- New license [\#24](https://github.com/WMD-group/SMACT/pull/24) ([keeeto](https://github.com/keeeto))
- \[WIP\] Structure Predictor [\#23](https://github.com/WMD-group/SMACT/pull/23) ([a-ws-m](https://github.com/a-ws-m))
- Combinations_practical refactor [\#22](https://github.com/WMD-group/SMACT/pull/22) ([a-ws-m](https://github.com/a-ws-m))
- Fix typo [\#21](https://github.com/WMD-group/SMACT/pull/21) ([mkhorton](https://github.com/mkhorton))
- spell out link URL instead of link on word "here" [\#20](https://github.com/WMD-group/SMACT/pull/20) ([labarba](https://github.com/labarba))

## [v2.1](https://github.com/WMD-group/SMACT/tree/v2.1) (2019-06-10)

[Full Changelog](https://github.com/WMD-group/SMACT/compare/v2.0.2...v2.1)

**Closed issues:**

- Tests [\#8](https://github.com/WMD-group/SMACT/issues/8)

## [v2.0.2](https://github.com/WMD-group/SMACT/tree/v2.0.2) (2019-03-20)

[Full Changelog](https://github.com/WMD-group/SMACT/compare/v2.0.1...v2.0.2)

## [v2.0.1](https://github.com/WMD-group/SMACT/tree/v2.0.1) (2019-03-13)

[Full Changelog](https://github.com/WMD-group/SMACT/compare/v1.2...v2.0.1)

**Closed issues:**

- Contributing section [\#18](https://github.com/WMD-group/SMACT/issues/18)
- possible_compositions function in lattice module needs fixing [\#15](https://github.com/WMD-group/SMACT/issues/15)
- Add atomic polarisability [\#11](https://github.com/WMD-group/SMACT/issues/11)
- Empty API doc pages [\#10](https://github.com/WMD-group/SMACT/issues/10)
- Include data from Faraday Oxidation Model [\#9](https://github.com/WMD-group/SMACT/issues/9)
- Clean up iPython notebooks [\#6](https://github.com/WMD-group/SMACT/issues/6)

**Merged pull requests:**

- Testing tweaks [\#19](https://github.com/WMD-group/SMACT/pull/19) ([ajjackson](https://github.com/ajjackson))
- Documentation update [\#16](https://github.com/WMD-group/SMACT/pull/16) ([ajjackson](https://github.com/ajjackson))
- 9 include oxidationstates model [\#14](https://github.com/WMD-group/SMACT/pull/14) ([dandavies99](https://github.com/dandavies99))
- Documentation update [\#13](https://github.com/WMD-group/SMACT/pull/13) ([keeeto](https://github.com/keeeto))
- 11 add polarisability [\#12](https://github.com/WMD-group/SMACT/pull/12) ([KazMorita](https://github.com/KazMorita))

## [v1.2](https://github.com/WMD-group/SMACT/tree/v1.2) (2017-01-06)

[Full Changelog](https://github.com/WMD-group/SMACT/compare/v1.01...v1.2)

## [v1.01](https://github.com/WMD-group/SMACT/tree/v1.01) (2016-09-12)

[Full Changelog](https://github.com/WMD-group/SMACT/compare/v1.0...v1.01)

## [v1.0](https://github.com/WMD-group/SMACT/tree/v1.0) (2016-04-29)

[Full Changelog](https://github.com/WMD-group/SMACT/compare/5a28ece027657a40190d4d3629da1486c233e44d...v1.0)

**Implemented enhancements:**

- Suggested Refactoring Of \_\_init\_\_.py [\#7](https://github.com/WMD-group/SMACT/issues/7)

**Closed issues:**

- smact.properties doesn't need to be a subpackage [\#5](https://github.com/WMD-group/SMACT/issues/5)
- BUG: Running examples from the top level [\#4](https://github.com/WMD-group/SMACT/issues/4)
- BUG: CationMutation example doesn't work [\#3](https://github.com/WMD-group/SMACT/issues/3)
- API: Move core functions to \_\_init\_\_ [\#2](https://github.com/WMD-group/SMACT/issues/2)
- DEP: permutations/README [\#1](https://github.com/WMD-group/SMACT/issues/1)

\* _This Changelog was automatically generated by [github_changelog_generator](https://github.com/github-changelog-generator/github-changelog-generator)_