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pyiron
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structuretoolkit
build, analyse and visualise atomistic structures for materials science
BSD 3-Clause "New" or "Revised" License
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Bump plotly from 5.24.0 to 5.24.1
#256
dependabot[bot]
opened
9 hours ago
1
Bump phonopy from 2.26.6 to 2.28.0
#255
dependabot[bot]
opened
16 hours ago
1
Bump pymatgen from 2024.8.9 to 2024.9.10
#254
dependabot[bot]
closed
16 hours ago
2
Bump scikit-learn from 1.5.1 to 1.5.2
#253
dependabot[bot]
closed
1 day ago
1
Bump pyxtal from 1.0.2 to 1.0.3
#252
dependabot[bot]
closed
1 day ago
2
[pre-commit.ci] pre-commit autoupdate
#251
pre-commit-ci[bot]
closed
2 days ago
1
[pre-commit.ci] pre-commit autoupdate
#250
pre-commit-ci[bot]
closed
1 week ago
1
Bump plotly from 5.23.0 to 5.24.0
#249
dependabot[bot]
closed
1 week ago
1
Use dataclass interface to spglib symmetry
#248
pmrv
closed
2 weeks ago
4
Use dataclass interface to spglib symmetry
#247
pmrv
closed
2 weeks ago
2
Remove conda default channel
#246
jan-janssen
closed
2 weeks ago
1
[pre-commit.ci] pre-commit autoupdate
#245
pre-commit-ci[bot]
closed
2 weeks ago
1
Bump phonopy from 2.26.6 to 2.27.0
#244
dependabot[bot]
closed
16 hours ago
2
Bump scipy from 1.14.0 to 1.14.1
#243
dependabot[bot]
closed
2 weeks ago
2
[pre-commit.ci] pre-commit autoupdate
#242
pre-commit-ci[bot]
closed
3 weeks ago
1
Bump pyxtal from 1.0.0 to 1.0.2
#241
dependabot[bot]
closed
3 weeks ago
1
Bump pyxtal from 0.6.7 to 1.0.0
#240
dependabot[bot]
closed
3 weeks ago
1
Bump matplotlib from 3.9.1 to 3.9.2
#239
dependabot[bot]
closed
3 weeks ago
2
[pre-commit.ci] pre-commit autoupdate
#238
pre-commit-ci[bot]
closed
4 weeks ago
1
Bump phonopy from 2.26.6 to 2.26.7
#237
dependabot[bot]
closed
2 weeks ago
2
Bump pymatgen from 2024.7.18 to 2024.8.9
#236
dependabot[bot]
closed
4 weeks ago
1
Bump pymatgen from 2024.7.18 to 2024.8.8
#235
dependabot[bot]
closed
1 month ago
2
Bump matplotlib from 3.9.1 to 3.9.1.post1
#234
dependabot[bot]
closed
1 month ago
2
Bump pyscal3 from 3.2.6 to 3.2.7
#233
dependabot[bot]
closed
1 month ago
1
[pre-commit.ci] pre-commit autoupdate
#232
pre-commit-ci[bot]
closed
1 month ago
1
Add docstrings and type hints using Github Co-pilot
#231
jan-janssen
closed
1 month ago
1
[pre-commit.ci] pre-commit autoupdate
#230
pre-commit-ci[bot]
closed
1 month ago
1
Update LAMMPS to 2024.06.27
#229
jan-janssen
closed
1 month ago
1
Bump plotly from 5.22.0 to 5.23.0
#228
dependabot[bot]
closed
1 month ago
2
[pre-commit.ci] pre-commit autoupdate
#227
pre-commit-ci[bot]
closed
1 month ago
1
Bump numpy from 1.26.4 to 2.0.1
#226
dependabot[bot]
opened
1 month ago
6
Bump pymatgen from 2024.6.10 to 2024.7.18
#225
dependabot[bot]
closed
1 month ago
1
Add ruff linter
#224
jan-janssen
closed
1 month ago
1
Add tests for analyse
#223
jan-janssen
closed
1 month ago
1
Fix symmetry tests
#222
jan-janssen
closed
1 month ago
2
Test coverage
#221
jan-janssen
closed
1 month ago
1
Add test for get_distances()
#220
jan-janssen
closed
1 month ago
1
Fix equivalent atoms and add tests
#219
jan-janssen
closed
1 month ago
1
Add tests for SQS structures
#218
jan-janssen
closed
1 month ago
1
Bump phonopy from 2.26.5 to 2.26.6
#217
dependabot[bot]
closed
1 month ago
2
Add optimize=True in the argument to make symmetrization faster
#216
samwaseda
closed
1 month ago
1
Extend symmetrizer
#215
samwaseda
closed
1 month ago
5
Bump phonopy from 2.26.3 to 2.26.5
#214
dependabot[bot]
closed
1 month ago
1
Bump spglib from 2.4.0 to 2.5.0
#213
dependabot[bot]
closed
2 months ago
1
Bump pyscal3 from 3.2.5 to 3.2.6
#212
dependabot[bot]
closed
2 months ago
1
Bump phonopy from 2.26.2 to 2.26.3
#211
dependabot[bot]
closed
2 months ago
1
Symmetrize tensor
#210
samwaseda
closed
2 months ago
3
Update to pyscal3
#209
srmnitc
closed
2 months ago
2
Bump phonopy from 2.25.0 to 2.26.2
#208
dependabot[bot]
closed
2 months ago
1
Update conda-incubator/setup-miniconda from v2 to v3
#207
jan-janssen
closed
2 months ago
1
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