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pyiron
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atomistics
Interfaces for atomistic simulation codes and workflows
https://atomistics.readthedocs.io/
BSD 3-Clause "New" or "Revised" License
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Bump phonopy from 2.25.0 to 2.26.0
#291
dependabot[bot]
opened
9 hours ago
1
Add import sorting to ruff
#290
jan-janssen
closed
1 day ago
1
[pre-commit.ci] pre-commit autoupdate
#289
pre-commit-ci[bot]
closed
4 days ago
1
Bump phonopy from 2.24.3 to 2.25.0
#288
dependabot[bot]
closed
4 days ago
1
Bump pylammpsmpi from 0.2.19 to 0.2.20
#287
dependabot[bot]
closed
1 week ago
1
Bump scipy from 1.13.1 to 1.14.0
#286
dependabot[bot]
closed
1 week ago
4
[pre-commit.ci] pre-commit autoupdate
#285
pre-commit-ci[bot]
closed
1 week ago
1
Bump structuretoolkit from 0.0.24 to 0.0.25
#284
dependabot[bot]
closed
2 weeks ago
1
Bump phonopy from 2.24.2 to 2.24.2.post1
#283
dependabot[bot]
closed
2 weeks ago
2
Bump numpy from 1.26.4 to 2.0.0
#282
dependabot[bot]
opened
2 weeks ago
1
[pre-commit.ci] pre-commit autoupdate
#281
pre-commit-ci[bot]
closed
2 weeks ago
1
Update numpy to 2.0.0
#280
jan-janssen
closed
1 week ago
3
Bump phonopy from 2.24.1 to 2.24.2
#279
dependabot[bot]
closed
3 weeks ago
1
[pre-commit.ci] pre-commit autoupdate
#278
pre-commit-ci[bot]
closed
3 weeks ago
1
Update matgl to 1.1.2
#277
jan-janssen
closed
3 weeks ago
1
Bump phonopy from 2.23.1 to 2.24.1
#276
dependabot[bot]
closed
4 weeks ago
1
Bump gpaw from 24.1.0 to 24.6.0
#275
dependabot[bot]
closed
1 month ago
1
Bump structuretoolkit from 0.0.23 to 0.0.24
#274
dependabot[bot]
closed
1 month ago
1
[pre-commit.ci] pre-commit autoupdate
#273
pre-commit-ci[bot]
closed
1 month ago
1
Fix CI for stacked pull requests
#272
jan-janssen
closed
1 month ago
1
Bump ase from 3.22.1 to 3.23.0
#271
dependabot[bot]
closed
1 month ago
2
Bump pylammpsmpi from 0.2.18 to 0.2.19
#270
dependabot[bot]
closed
1 month ago
1
Fix dependence on phonolammps
#269
jan-janssen
closed
1 month ago
1
[pre-commit.ci] pre-commit autoupdate
#268
pre-commit-ci[bot]
closed
1 month ago
1
Bump scipy from 1.13.0 to 1.13.1
#267
dependabot[bot]
closed
1 month ago
2
add ruff formatter
#266
jan-janssen
closed
1 month ago
2
Bump spglib from 2.3.1 to 2.4.0
#265
dependabot[bot]
closed
1 month ago
2
Bump jinja2 from 3.1.3 to 3.1.4
#264
dependabot[bot]
closed
1 month ago
2
Update Matgl
#263
jan-janssen
closed
1 month ago
3
Add Edit button to documentation
#262
jan-janssen
closed
2 months ago
1
Clean up read the docs config
#261
jan-janssen
closed
2 months ago
0
Add autodoc
#260
jan-janssen
closed
2 months ago
0
Bump tqdm from 4.66.2 to 4.66.4
#259
dependabot[bot]
closed
2 months ago
1
Update notebooks
#258
jan-janssen
closed
2 months ago
1
Bump phonopy from 2.22.1 to 2.23.0
#257
dependabot[bot]
closed
1 month ago
3
Update lammps_workflows.ipynb
#256
jan-janssen
closed
2 months ago
0
Use Jupyterbook rather than Sphinx
#255
jan-janssen
closed
2 months ago
1
Fix bug in thermal expansion
#254
jan-janssen
closed
2 months ago
0
Add helper functions for phonopy
#253
jan-janssen
closed
2 months ago
0
Fix defaults for the get_strains() function
#252
jan-janssen
closed
2 months ago
0
Test use assertAlmostEqual()
#251
jan-janssen
closed
2 months ago
0
Functional version of evcurve workflow
#250
jan-janssen
closed
2 months ago
0
Readme add syntax highlighting
#249
jan-janssen
closed
2 months ago
0
Black formatting
#248
jan-janssen
closed
2 months ago
0
Create CODEOWNERS
#247
jan-janssen
closed
2 months ago
0
Add simple test for symmerty
#246
jan-janssen
closed
2 months ago
0
Debug Quantum Espresso Test
#245
jan-janssen
closed
2 months ago
0
Bump pylammpsmpi from 0.2.17 to 0.2.18
#244
dependabot[bot]
closed
2 months ago
0
Have a separate action to calculate coverage
#243
jan-janssen
closed
2 months ago
0
Add new test on get_potential_dataframe()
#242
jan-janssen
closed
2 months ago
0
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