v0.4.0

What's Changed

• Fix cli bug, enable spin polarized interactive analysis in cli by @naik-aakash in #256

Full Changelog: v0.3.9...v0.4.0

v0.3.9

What's Changed

• Add JOSS badge by @naik-aakash in #248
• Add note about dummy potcar to example file by @naik-aakash in #249
• Fix link to changelog by @naik-aakash in #250
• Fix citation and readme by @JaGeo in #251
• remove redundant orbplot arg and fix a typo by @naik-aakash in #253

Full Changelog: v0.3.8...v0.3.9

v0.3.8

What's Changed

• Add Contributing guide to Readme by @naik-aakash in #224
• address review comments > LOBSTER citation, similar packages by @naik-aakash in #226
• add missing , by @naik-aakash in #227
• Bump sphinx-book-theme from 1.1.0 to 1.1.2 by @dependabot in #230
• tutorial: replace os with pathlib.Path by @berquist in #231
• Review 2 suggestion by @naik-aakash in #234
• [WIP] Accomodate LobsterEnv breaking changes by @naik-aakash in #232
• Configuration consolidation by @berquist in #235
• Add coverage report by @JaGeo in #238
• Update README.md by @JaGeo in #239
• Add precommit badge by @JaGeo in #240
• Analysis extend + adapt to latest changes in LobterEnv by @naik-aakash in #233
• Add explanation to cli help by @naik-aakash in #244
• File path handling in featurizer module by @kaueltzen in #242
• Add cutoff args to batch structure graphs featurizer by @naik-aakash in #245
• [JOSS] Paper nitpicks by @RMeli in #247
• Update readme and paper.md by @naik-aakash in #246

New Contributors

• @berquist made their first contribution in #231
• @RMeli made their first contribution in #247

Full Changelog: v0.3.7...v0.3.8

v0.3.7

What's Changed

• Set python version stricter limit and accommodate recent pymatgen changes by @naik-aakash in #222

Full Changelog: v0.3.6...v0.3.7

v0.3.6

What's Changed

• JOSS paper by @naik-aakash in #203

Full Changelog: v0.3.5...v0.3.6

v0.3.5

What's Changed

• Fix header by @naik-aakash in #189
• WIP[fix interactive plots] by @naik-aakash in #190
• Update docs.yml by @JaGeo in #191
• Update docs.yml by @naik-aakash in #192
• Update docs.yml by @naik-aakash in #194
• Update conf.py by @JaGeo in #195
• Update tutorial.ipynb by @JaGeo in #196
• Update tutorial.ipynb by @JaGeo in #197
• Update tutorial.ipynb by @JaGeo in #198
• Update tutorial.ipynb by @JaGeo in #199
• Update conf.py by @JaGeo in #200
• Fix blank interactive plots by @naik-aakash in #201
• Fix typos and grammatical errors by @naik-aakash in #202
• Minor documentation fixes by @naik-aakash in #206
• address doc review comments by @naik-aakash in #208
• Bump mendeleev from 0.14.0 to 0.15.0 by @dependabot in #211
• Bump myst-nb from 0.17.2 to 1.0.0 by @dependabot in #204
• Bump ipython from 8.16.1 to 8.19.0 by @dependabot in #209
• Bump sphinx-book-theme from 1.0.1 to 1.1.0 by @dependabot in #210
• Fix doc by @naik-aakash in #213
• Remove redundant ipython from doc dependencies by @naik-aakash in #216
• Fix: text generation error when no bonds are detected at site in cation-anion analysis by @naik-aakash in #217

Full Changelog: v0.3.4...v0.3.5

v0.3.4

What's Changed

• fix changelog by @JaGeo in #188
• Update documentation by @naik-aakash in #180

Full Changelog: v0.3.3...v0.3.4

v0.3.3

What's Changed

• fixing which_bonds by @JonasGrandel in #168
• fix createinputs alias not working, update test for the same by @naik-aakash in #171
• Automatic orbital wise analysis functionality in analyze module by @naik-aakash in #132
• Replace unittests with pytests + update CI workflow and code doc-strings by @naik-aakash in #177
• replace get_anion_types with anion_types by @naik-aakash in #174
• rename keys of calc quality summary and snake_case by @naik-aakash in #178
• Remove read the docs config by @naik-aakash in #182
• Refactor cli.py for cleaner options on cli help by @naik-aakash in #172
• overwrite add_cohp for interactive plotter > Now it works as expected by @naik-aakash in #176
• Extend featurizer by @naik-aakash in #179
• Update README.md by @naik-aakash in #184
• Increase test coverage by @naik-aakash in #185
• add POSCAR.lobster support in featurizer by @naik-aakash in #186

New Contributors

• @JonasGrandel made their first contribution in #168

Full Changelog: v0.3.2...v0.3.3

v0.3.2

What's Changed

• cli invert axis, add get site all orbitals dos plot by @naik-aakash in #149
• Update README.md by @JaGeo in #150
• Bump mendeleev from 0.12.1 to 0.14.0 by @dependabot in #151
• snakecase key names of calc quality summary dict by @naik-aakash in #157
• Fix missing matplotlib style file in package installation by @naik-aakash in #159
• snakecase whichbonds arg and update tests by @naik-aakash in #161

Full Changelog: v0.3.1...v0.3.2

v0.3.1

What's Changed

• ICOHP vs bond length plotter by @naik-aakash in #137
• Remove python 3.8 support by @naik-aakash in #134
• Add units to plotters by @naik-aakash in #136
• Bump sphinx-pdj-theme from 0.2.1 to 0.4.0 by @dependabot in #111
• Doscar plotting by @naik-aakash in #138
• added lobster calc quality summary method to analyze module by @naik-aakash in #115
• Add featurizer by @naik-aakash in #102
• COBI COOP extension by @naik-aakash in #128
• Structure graphs by @naik-aakash in #63
• fix docs build, remove unwanted dependencies by @naik-aakash in #146
• Update CHANGELOG.md by @JaGeo in #147
• Update pyproject.toml by @JaGeo in #148

Full Changelog: v0.3.0...v0.3.1