v0.5.0

What's Changed

• Minor fixes by @ladinesa in #184
• add label quantity to AtomsState by @EBB2675 in #192
• Map model_system to outputs by @ndaelman-hu in #193
• Positive data types by @ndaelman-hu in #195
• Fix docstrings of ModelSystem by @EBB2675 in #202
• Fix: geometric‑space normalisation for systems without Cells by @EBB2675 in #204
• H5md refactor by @JFRudzinski in #196
• Extend docs on workflows by @ndaelman-hu in #206
• Physical property tweaking by @ndaelman-hu in #201
• Ammend phys prop by @ndaelman-hu in #214
• generalize treatment of particle states by @JFRudzinski in #216
• Reassignment of generic particle states by @JFRudzinski in #222
• temporary fix: 'molecule / cluster' breaks ModelSystem.type enum by @EBB2675 in #227
• added previous ff schema from older version by @JFRudzinski in #114
• Extend workflows by @ladinesa in #243
• Revert "Extend workflows" by @ladinesa in #245
• Logger decorator by @ladinesa in #238
• Extend workflows by @ladinesa in #246
• 180 check creation of composition formula by @JFRudzinski in #239
• fixed import typo by @JFRudzinski in #249
• System Tree Integrity by @JFRudzinski in #251
• removed is_not_representative() util, set default representative system by @JFRudzinski in #250
• Fix typo in DFTTBDMFTWorkflow by @ndaelman-hu in #254
• re-implemented isinstance() preference check in is_root() by @JFRudzinski in #255
• Upgrade python by @ladinesa in #257
• Fix coveralls action by @ladinesa in #258
• Add workflow tests by @ladinesa in #256

Full Changelog: v0.4.0...v0.5.0