Structuretoolkit

Latest version: v0.0.24

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0.0.24

What's Changed
* Bump pyxtal from 0.6.6 to 0.6.7 by dependabot in https://github.com/pyiron/structuretoolkit/pull/190
* Bump dscribe from 2.1.0 to 2.1.1 by dependabot in https://github.com/pyiron/structuretoolkit/pull/191
* Update ASE to 3.23.0 by jan-janssen in https://github.com/pyiron/structuretoolkit/pull/192


**Full Changelog**: https://github.com/pyiron/structuretoolkit/compare/structuretoolkit-0.0.23...structuretoolkit-0.0.24

0.0.23

What's Changed
* Merge main by jan-janssen in https://github.com/pyiron/structuretoolkit/pull/134
* Merge main by jan-janssen in https://github.com/pyiron/structuretoolkit/pull/137
* Bump matplotlib from 3.8.3 to 3.8.4 by dependabot in https://github.com/pyiron/structuretoolkit/pull/163
* Bump scikit-learn from 1.4.1.post1 to 1.4.2 by dependabot in https://github.com/pyiron/structuretoolkit/pull/164
* Update spglib to 2.4.0 by jan-janssen in https://github.com/pyiron/structuretoolkit/pull/165
* Merge main by jan-janssen in https://github.com/pyiron/structuretoolkit/pull/166
* Bump pymatgen from 2024.3.1 to 2024.4.12 by dependabot in https://github.com/pyiron/structuretoolkit/pull/167
* Update LAMMPS version to 2024.02.07 by jan-janssen in https://github.com/pyiron/structuretoolkit/pull/168
* Update to Python 3.12 by jan-janssen in https://github.com/pyiron/structuretoolkit/pull/128
* Use Python 3.12 as default for continuous integration by jan-janssen in https://github.com/pyiron/structuretoolkit/pull/170
* Set upper limit for Python version by jan-janssen in https://github.com/pyiron/structuretoolkit/pull/171
* Bump pymatgen from 2024.4.12 to 2024.4.13 by dependabot in https://github.com/pyiron/structuretoolkit/pull/172
* Fix coverage by jan-janssen in https://github.com/pyiron/structuretoolkit/pull/174
* Create CODEOWNERS by jan-janssen in https://github.com/pyiron/structuretoolkit/pull/175
* Bump plotly from 5.19.0 to 5.21.0 by dependabot in https://github.com/pyiron/structuretoolkit/pull/173
* Bump pymatgen from 2024.4.13 to 2024.5.1 by dependabot in https://github.com/pyiron/structuretoolkit/pull/178
* Bump phonopy from 2.22.1 to 2.23.0 by dependabot in https://github.com/pyiron/structuretoolkit/pull/176
* Bump pyxtal from 0.6.2 to 0.6.6 by dependabot in https://github.com/pyiron/structuretoolkit/pull/180
* Bump plotly from 5.21.0 to 5.22.0 by dependabot in https://github.com/pyiron/structuretoolkit/pull/177
* [minor] separate drawing cell for plotly by samwaseda in https://github.com/pyiron/structuretoolkit/pull/187
* Get cell by samwaseda in https://github.com/pyiron/structuretoolkit/pull/186
* Create mesh by samwaseda in https://github.com/pyiron/structuretoolkit/pull/183
* Bump scikit-learn from 1.4.2 to 1.5.0 by dependabot in https://github.com/pyiron/structuretoolkit/pull/188
* Bump scipy from 1.13.0 to 1.13.1 by dependabot in https://github.com/pyiron/structuretoolkit/pull/189
* Bump spglib from 2.3.1 to 2.4.0 by dependabot in https://github.com/pyiron/structuretoolkit/pull/179


**Full Changelog**: https://github.com/pyiron/structuretoolkit/compare/structuretoolkit-0.0.22...structuretoolkit-0.0.23

0.0.22

What's Changed
* Merge main by jan-janssen in https://github.com/pyiron/structuretoolkit/pull/143
* Add function to calculate soap descriptors by jan-janssen in https://github.com/pyiron/structuretoolkit/pull/74
* Bump phonopy from 2.21.0 to 2.21.1 by dependabot in https://github.com/pyiron/structuretoolkit/pull/148
* Bump scikit-learn from 1.4.0 to 1.4.1.post1 by dependabot in https://github.com/pyiron/structuretoolkit/pull/147
* Bump matplotlib from 3.8.2 to 3.8.3 by dependabot in https://github.com/pyiron/structuretoolkit/pull/146
* fix coverage by jan-janssen in https://github.com/pyiron/structuretoolkit/pull/149
* Bump phonopy from 2.21.1 to 2.21.2 by dependabot in https://github.com/pyiron/structuretoolkit/pull/150
* Bump pymatgen from 2024.2.8 to 2024.2.20 by dependabot in https://github.com/pyiron/structuretoolkit/pull/151
* Bump plotly from 5.18.0 to 5.19.0 by dependabot in https://github.com/pyiron/structuretoolkit/pull/145
* Bump pymatgen from 2024.2.20 to 2024.2.23 by dependabot in https://github.com/pyiron/structuretoolkit/pull/152
* Bump pymatgen from 2024.2.23 to 2024.3.1 by dependabot in https://github.com/pyiron/structuretoolkit/pull/154
* Bump nglview from 3.1.1 to 3.1.2 by dependabot in https://github.com/pyiron/structuretoolkit/pull/155
* Calculate SNAP descriptors by jan-janssen in https://github.com/pyiron/structuretoolkit/pull/71
* Bump aimsgb from 1.1.0 to 1.1.1 by dependabot in https://github.com/pyiron/structuretoolkit/pull/158
* Update phonopy to 2.22.0 by jan-janssen in https://github.com/pyiron/structuretoolkit/pull/159
* Add type hints by jan-janssen in https://github.com/pyiron/structuretoolkit/pull/160
* Bump phonopy from 2.22.0 to 2.22.1 by dependabot in https://github.com/pyiron/structuretoolkit/pull/161
* Bump scipy from 1.12.0 to 1.13.0 by dependabot in https://github.com/pyiron/structuretoolkit/pull/162


**Full Changelog**: https://github.com/pyiron/structuretoolkit/compare/structuretoolkit-0.0.21...structuretoolkit-0.0.22

0.0.21

What's Changed
* Dependabot switch to daily by jan-janssen in https://github.com/pyiron/structuretoolkit/pull/139
* Bump spglib from 2.3.0 to 2.3.1 by dependabot in https://github.com/pyiron/structuretoolkit/pull/141
* Bump pymatgen from 2024.1.27 to 2024.2.8 by dependabot in https://github.com/pyiron/structuretoolkit/pull/140


**Full Changelog**: https://github.com/pyiron/structuretoolkit/compare/structuretoolkit-0.0.20...structuretoolkit-0.0.21

0.0.20

What's Changed
* Update numpy to 1.26.4 by jan-janssen in https://github.com/pyiron/structuretoolkit/pull/138


**Full Changelog**: https://github.com/pyiron/structuretoolkit/compare/structuretoolkit-0.0.19...structuretoolkit-0.0.20

0.0.19

What's Changed
* Update pymatgen to 2024.1.27 by jan-janssen in https://github.com/pyiron/structuretoolkit/pull/130
* Bump spglib from 2.2.0 to 2.3.0 by dependabot in https://github.com/pyiron/structuretoolkit/pull/131
* Show box cell in plotly by samwaseda in https://github.com/pyiron/structuretoolkit/pull/49
* Update postal to 0.6.2 by jan-janssen in https://github.com/pyiron/structuretoolkit/pull/133
* Use mini environment by jan-janssen in https://github.com/pyiron/structuretoolkit/pull/135
* Use python 3.12 for mini test by jan-janssen in https://github.com/pyiron/structuretoolkit/pull/136
* Plotly change size by samwaseda in https://github.com/pyiron/structuretoolkit/pull/132


**Full Changelog**: https://github.com/pyiron/structuretoolkit/compare/structuretoolkit-0.0.18...structuretoolkit-0.0.19

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