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pyiron
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pyiron_atomistics
pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
https://pyiron-atomistics.readthedocs.io
BSD 3-Clause "New" or "Revised" License
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Bump ase from 3.22.1 to 3.23.0
#1436
dependabot[bot]
closed
1 month ago
3
Bump atomistics from 0.1.28 to 0.1.29
#1435
dependabot[bot]
closed
1 month ago
3
Bump structuretoolkit from 0.0.23 to 0.0.24
#1434
dependabot[bot]
closed
1 month ago
3
Bump pylammpsmpi from 0.2.18 to 0.2.19
#1433
dependabot[bot]
closed
1 month ago
1
[patch] use deprecate from pyiron_snippets
#1432
liamhuber
closed
1 month ago
0
[patch] use ImportAlarm from pyiron_snippets
#1431
liamhuber
closed
1 month ago
1
Bump scipy from 1.13.0 to 1.13.1
#1430
dependabot[bot]
closed
1 month ago
3
Bump scikit-learn from 1.4.2 to 1.5.0
#1429
dependabot[bot]
closed
1 month ago
1
Bump structuretoolkit from 0.0.22 to 0.0.23
#1428
dependabot[bot]
closed
1 month ago
1
Bump mendeleev from 0.16.1 to 0.16.2
#1427
dependabot[bot]
closed
1 month ago
1
Refactor Vasp output classes
#1426
pmrv
closed
1 month ago
3
Pyiron read_cube_file() does not work for certain formats of cube files.
#1425
sam-mattoso
opened
1 month ago
0
patches in default LORBIT writing
#1424
ligerzero-ai
closed
1 month ago
1
[VASP] final_magmoms not parsed.
#1423
pmrv
opened
1 month ago
16
job crashes early in hdfio
#1422
freyso
opened
1 month ago
10
Bump mendeleev from 0.15.0 to 0.16.1
#1421
dependabot[bot]
closed
1 month ago
1
Bump matplotlib from 3.8.4 to 3.9.0
#1420
dependabot[bot]
closed
1 week ago
2
Always overwrite eigenvalues
#1419
samwaseda
opened
1 month ago
0
Additional inputs to phonopy
#1418
raynol-dsouza
closed
4 weeks ago
3
update pyiron_base to 0.8.4
#1417
jan-janssen
closed
2 months ago
1
Update the data mining example
#1416
jan-janssen
closed
2 months ago
3
Add Edit button to documentation
#1415
jan-janssen
closed
2 months ago
1
Fix structure analysis in elastic matrix
#1414
jan-janssen
closed
2 months ago
1
Bump mendeleev from 0.15.0 to 0.16.0
#1413
dependabot[bot]
closed
1 month ago
3
Bump phonopy from 2.22.1 to 2.23.1
#1412
dependabot[bot]
closed
1 month ago
3
Fix readme image
#1411
jan-janssen
closed
2 months ago
1
fix readme file
#1410
jan-janssen
closed
2 months ago
1
move readme file
#1409
jan-janssen
closed
2 months ago
1
fix links
#1408
jan-janssen
closed
2 months ago
1
mybinder - remove test_benchmarks
#1407
jan-janssen
closed
2 months ago
1
Remove nglview installation from mybinder setup
#1406
jan-janssen
closed
2 months ago
1
Switch from Sphinx Documentation to Jupyterbook
#1405
jan-janssen
closed
2 months ago
1
Fix elastic matrix to be compatible with atomistics
#1404
jan-janssen
closed
2 months ago
1
[minor] Remove duplicate cells
#1403
samwaseda
closed
2 months ago
1
Fix bug for interface method reloading jobs
#1402
jan-janssen
closed
2 months ago
1
Update pyiron_base to 0.8.3
#1401
jan-janssen
closed
2 months ago
1
Fix phonopy example
#1400
jan-janssen
closed
2 months ago
2
Update atomistics to 0.1.27
#1399
jan-janssen
closed
2 months ago
1
Bump pylammpsmpi from 0.2.15 to 0.2.18
#1397
dependabot[bot]
closed
2 months ago
1
Sphinx fix order
#1396
samwaseda
closed
2 months ago
1
Fix vasp potentials for GenericMasters
#1395
jan-janssen
closed
2 months ago
2
Add OutcarCollectError and catch it in Vasp.collect
#1394
pmrv
closed
1 month ago
1
Update first_steps.ipynb
#1393
jan-janssen
closed
2 months ago
2
Phonopy and magmom
#1392
Leimeroth
opened
2 months ago
1
Bump spglib from 2.3.1 to 2.4.0
#1391
dependabot[bot]
closed
2 months ago
2
Bump h5py from 3.10.0 to 3.11.0
#1390
dependabot[bot]
closed
2 months ago
3
Set upper limit for Python version
#1389
jan-janssen
closed
2 months ago
1
Remove elastic tensor job
#1388
jan-janssen
closed
2 months ago
3
Update pyproject.toml
#1387
jan-janssen
closed
2 months ago
1
Use Python 3.12 as default for continuous integration
#1386
jan-janssen
closed
2 months ago
1
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