v1.2.0

Version 1.2.0

See CHANGELOG for a detailed explanation of changes.

What's Changed

🐛 Bug Fixes

• database fixes by @rkingsbury in #190

🤷‍♂️ Other Changes

• pymatgen>=2024.9.10 updated after bugfix and conflict resolve by @abhardwaj73 in #188

Full Changelog: v1.1.6...v1.2.0

v1.1.6

Version 1.1.6

See CHANGELOG for a detailed explanation of changes.

What's Changed

🐛 Bug Fixes

• Bugfix in get_total_amount; CHANGELOG for next version by @rkingsbury in #182

🛠 Enhancements

• Revise 'Mixing Functions' by @Jaebeom-P in #178

🤷‍♂️ Other Changes

• Refactor logging for _adjust_charge_balance by @SuixiongTay in #162
• add lowest-direct dependency resolution by @abhardwaj73 in #163
• updated python-version line 48 and removed dev by @abhardwaj73 in #164
• Update post-process.yml by @rkingsbury in #165
• Update post-process.yml by @rkingsbury in #166
• Set minimum iapws >1.0.0 by @rkingsbury in #167
• pin pytest>=7 by @rkingsbury in #168
• set minimum dependency versions by @rkingsbury in #172
• Set mininum dependency versions, part 2 by @rkingsbury in #173
• set minimum pytest-cov dependency by @rkingsbury in #174
• set minimum dependency versions by @rkingsbury in #175
• set minimum dependency versions by @rkingsbury in #176
• bump minimum scipy by @rkingsbury in #177

New Contributors

• @SuixiongTay made their first contribution in #162
• @abhardwaj73 made their first contribution in #163
• @Jaebeom-P made their first contribution in #178

Full Changelog: v1.1.5...v1.1.6

v1.1.5

Version 1.1.5

See CHANGELOG for a detailed explanation of changes.

What's Changed

🐛 Bug Fixes

• Hotfix v1.1.5 - remove stray assert statement by @rkingsbury in #156

Full Changelog: v1.1.4...v1.1.5

v1.1.4

Version 1.1.4

See CHANGELOG for a detailed explanation of changes.

What's Changed

🐛 Bug Fixes

• Fix erroneous guard statement in pH charge balancing by @rkingsbury in #155

Full Changelog: v1.1.3...v1.1.4

v1.1.3

Version 1.1.3

See CHANGELOG for a detailed explanation of changes.

What's Changed

🐛 Bug Fixes

• Solution: fix pH charge balancing bug and possible water ion imbalance by @rkingsbury in #154

Full Changelog: v1.1.2...v1.1.3

v1.1.2

Version 1.1.2

See CHANGELOG for a detailed explanation of changes.

What's Changed

🐛 Bug Fixes

• Solution: fix auto charge balance bug by @rkingsbury in #153

Full Changelog: v1.1.1...v1.1.2

v1.1.1

Version 1.1.1

See CHANGELOG for a detailed explanation of changes.

What's Changed

🐛 Bug Fixes

• DB: add missing units to radius_ionic for Cr+3 and Ni+2 by @rkingsbury in #148
• Equlibrate: fix bug with pH charge balancing; mypy by @rkingsbury in #150

🛠 Enhancements

• Solution: add automatic charge balancing and other misc improvements by @rkingsbury in #151

🏥 Package Health

• CI: updates per scientific python repo review by @rkingsbury in #149

Full Changelog: v1.0.3...v1.1.1

v1.0.3

Version 1.0.3

See CHANGELOG for a detailed explanation of changes.

What's Changed

🛠 Enhancements

• standardize_formula: parse super and subscripts in ion formulae by @rkingsbury in #147

🧹 House-Keeping

• move all config to pyproject.toml by @rkingsbury in #135

Full Changelog: v1.0.2...v1.0.3

v1.0.2

Version 1.0.2

See CHANGELOG for a detailed explanation of changes.

What's Changed

🤷‍♂️ Other Changes

• Fix incorrect display of NH4+, NH3, and other formulas by @rkingsbury in #145

Full Changelog: v1.0.1...v1.0.2

v1.0.1

Version 1.0.1

See CHANGELOG for a detailed explanation of changes.

What's Changed

🐛 Bug Fixes

• Set character encoding explicitly in JSONStore by @rkingsbury in #134
• Fix charge balancing error and dependency housekeeping by @rkingsbury in #142

📖 Documentation

• Fix a missing close parenthesis in docstring by @Andrew-S-Rosen in #124

Full Changelog: v1.0.0...v1.0.1