v0.5.4

Same as v0.5.3. with correct dependencies

What's Changed

• Fix dependencies by @naik-aakash in #364

Full Changelog: v0.5.3...v0.5.4

v0.5.3

Same as v0.5.1 but this time with correct version name and a pypi release.

v0.5.1

Note: the version number has not been updated correctly. Please use v0.5.2

What's Changed

• Enhance icoxxlist plotter by @naik-aakash in #343
• Update README.md by @JaGeo in #345
• pre-commit autoupdate by @pre-commit-ci in #346
• matplotlib use non-interactive agg backend by @DanielYang59 in #349
• Bump mendeleev from 0.18.1 to 0.19.0 by @dependabot in #347
• Misc ci updates by @naik-aakash in #350
• fix artifacts version inconsistency by @naik-aakash in #352
• pre-commit autoupdate by @pre-commit-ci in #353
• Add new functions/methods to featurize module by @naik-aakash in #330
• Update test durations file by @github-actions in #354
• Bump mendeleev from 0.19.0 to 0.20.0 by @dependabot in #356
• Bump mendeleev from 0.20.0 to 0.20.1 by @dependabot in #358
• pre-commit autoupdate by @pre-commit-ci in #359
• Cli updates by @naik-aakash in #357
• Fix codecov failure by @naik-aakash in #361

New Contributors

• @github-actions made their first contribution in #354

Full Changelog: v0.5.0...v0.5.1

v0.5.0

What's Changed

• Update CHANGELOG.md by @JaGeo in #334
• Ci updates by @naik-aakash in #341
• Update get struct path by @naik-aakash in #340
• Bump mendeleev from 0.17.0 to 0.18.1 by @dependabot in #338
• Bump sphinx-toolbox from 3.8.0 to 3.8.1 by @dependabot in #339
• Bump myst-nb from 1.1.1 to 1.1.2 by @dependabot in #335
• pin min pymatgen version > lobster 5.0/5.1 support by @naik-aakash in #342

Full Changelog: v0.4.9...v0.5.0

v0.4.9

Same as.v0.4.8

Full Changelog: v0.4.8...v0.4.9

v0.4.8

What's Changed

• change python version from 3.9 to 3.10 in docs generation by @naik-aakash in #322
• Bump sphinx-design from 0.6.0 to 0.6.1 by @dependabot in #324
• Bump sphinx-toolbox from 3.7.0 to 3.8.0 by @dependabot in #326
• Update sphinx requirement from <8,>=5 to >=5,<9 by @dependabot in #323
• Update calc quality and fingerprints usage by @naik-aakash in #331
• Remove redundant coverage uploads and fix coverage reports by @naik-aakash in #332
• Fix the path of lobsterenv.py. by @hongyi-zhao in #333

New Contributors

• @hongyi-zhao made their first contribution in #333

Full Changelog: v0.4.7...v0.4.8

v0.4.7

What's Changed

• fix outdated cli tutorial code snippets by @naik-aakash in #320
• Fix unexpected "DOSCAR.LSO.lobster" exception in cli by @naik-aakash in #321

Full Changelog: v0.4.6...v0.4.7

v0.4.6

What's Changed

• CI Updates by @naik-aakash in #314
• Move to src layout by @naik-aakash in #315
• Bump sphinx-toolbox from 3.6.0 to 3.7.0 by @dependabot in #313

Full Changelog: v0.4.5...v0.4.6

v0.4.5

What's Changed

• Bump mendeleev from 0.15.0 to 0.16.0 by @dependabot in #288
• pre-commit autoupdate by @pre-commit-ci in #289
• Bump mendeleev from 0.16.0 to 0.16.1 by @dependabot in #290
• Bump mendeleev from 0.16.1 to 0.16.2 by @dependabot in #291
• Bump sphinx-design from 0.5.0 to 0.6.0 by @dependabot in #292
• Bump mendeleev from 0.16.2 to 0.17.0 by @dependabot in #296
• pre-commit autoupdate by @pre-commit-ci in #294
• Bump sphinx-book-theme from 1.1.2 to 1.1.3 by @dependabot in #298
• Fix warnings by @naik-aakash in #299
• Update readme by @naik-aakash in #302
• Explicitly use agg backend to avoid OS inconsistency by @DanielYang59 in #305
• Update orbitalwise analysis by @naik-aakash in #300
• Update numpy requirement from <2.0.0 to <3.0.0 by @dependabot in #309
• Bump sphinx-toolbox from 3.5.0 to 3.6.0 by @dependabot in #310
• Bump myst-nb from 1.1.0 to 1.1.1 by @dependabot in #311
• clarify kpoints requirements and limitations with input sets by @naik-aakash in #307

New Contributors

• @DanielYang59 made their first contribution in #305

Full Changelog: v0.4.4...v0.4.5

v0.4.4

No changes compared to 0.4.3. Just an error with the deployment occurred.