structuretoolkit 0.0.23

What's Changed

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

Full Changelog: structuretoolkit-0.0.22...structuretoolkit-0.0.23

structuretoolkit 0.0.22

What's Changed

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

Full Changelog: structuretoolkit-0.0.21...structuretoolkit-0.0.22

structuretoolkit 0.0.21

What's Changed

• Dependabot switch to daily by @jan-janssen in #139
• Bump spglib from 2.3.0 to 2.3.1 by @dependabot in #141
• Bump pymatgen from 2024.1.27 to 2024.2.8 by @dependabot in #140

Full Changelog: structuretoolkit-0.0.20...structuretoolkit-0.0.21

structuretoolkit 0.0.20

What's Changed

• Update numpy to 1.26.4 by @jan-janssen in #138

Full Changelog: structuretoolkit-0.0.19...structuretoolkit-0.0.20

structuretoolkit 0.0.19

What's Changed

• Update pymatgen to 2024.1.27 by @jan-janssen in #130
• Bump spglib from 2.2.0 to 2.3.0 by @dependabot in #131
• Show box cell in plotly by @samwaseda in #49
• Update postal to 0.6.2 by @jan-janssen in #133
• Use mini environment by @jan-janssen in #135
• Use python 3.12 for mini test by @jan-janssen in #136
• Plotly change size by @samwaseda in #132

Full Changelog: structuretoolkit-0.0.18...structuretoolkit-0.0.19

structuretoolkit 0.0.18

What's Changed

• Delete .github/delete-merged-branch-config.yml by @jan-janssen in #125
• Bump nglview from 3.0.8 to 3.1.1 by @dependabot in #126
• Update scikit-learn to 1.4.0 by @jan-janssen in #127
• Update scipy to 1.12.0 by @jan-janssen in #129

Full Changelog: structuretoolkit-0.0.17...structuretoolkit-0.0.18

structuretoolkit 0.0.17

What's Changed

• Update numpy to 1.26.3 by @jan-janssen in #123

Full Changelog: structuretoolkit-0.0.16...structuretoolkit-0.0.17

structuretoolkit 0.0.16

What's Changed

• Bump phonopy from 2.20.0 to 2.21.0 by @dependabot in #119
• Bump spglib from 2.1.0 to 2.2.0 by @dependabot in #121
• Bump pymatgen from 2023.11.12 to 2023.12.18 by @dependabot in #122

Full Changelog: structuretoolkit-0.0.15...structuretoolkit-0.0.16

structuretoolkit 0.0.15

What's Changed

• Matplotlib is optional by @jan-janssen in #114
• Test pip no-build-isolation option by @jan-janssen in #116

Full Changelog: structuretoolkit-0.0.14...structuretoolkit-0.0.15

structuretoolkit 0.0.14

What's Changed

• Fix deployment by @jan-janssen in #113

Full Changelog: structuretoolkit-0.0.13...structuretoolkit-0.0.14