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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 pylammpsmpi from 0.2.25 to 0.2.26
#1608
dependabot[bot]
closed
1 day ago
2
Bump pyiron-base from 0.10.7 to 0.10.8
#1607
dependabot[bot]
closed
1 day ago
3
Update pyiron_base and pylammpsmpi
#1606
jan-janssen
closed
1 day ago
1
[pre-commit.ci] pre-commit autoupdate
#1605
pre-commit-ci[bot]
closed
3 days ago
1
create.structure.ase.read fails for trajectories
#1604
niklassiemer
opened
4 days ago
0
Remove input_functions.py which was never used and is going to be rep…
#1603
samwaseda
closed
1 week ago
1
Bump phonopy from 2.26.6 to 2.30.1
#1602
dependabot[bot]
opened
1 week ago
1
Increase lammps parsing robustness
#1601
Leimeroth
closed
1 week ago
1
[pre-commit.ci] pre-commit autoupdate
#1600
pre-commit-ci[bot]
closed
1 week ago
1
Bump phonopy from 2.26.6 to 2.30.0
#1599
dependabot[bot]
closed
1 week ago
2
Bump pint from 0.24.3 to 0.24.4
#1598
dependabot[bot]
closed
2 weeks ago
2
Bump mendeleev from 0.18.1 to 0.19.0
#1597
dependabot[bot]
closed
2 weeks ago
5
[pre-commit.ci] pre-commit autoupdate
#1596
pre-commit-ci[bot]
closed
2 weeks ago
1
Bump numpy from 1.26.4 to 2.1.3
#1595
dependabot[bot]
opened
2 weeks ago
1
Bump pyiron-base from 0.10.5 to 0.10.6
#1594
dependabot[bot]
closed
3 weeks ago
1
[pre-commit.ci] pre-commit autoupdate
#1593
pre-commit-ci[bot]
closed
3 weeks ago
1
Bump phonopy from 2.26.6 to 2.29.1
#1592
dependabot[bot]
closed
1 week ago
2
Update pyiron_base to 0.10.5
#1591
jan-janssen
closed
1 month ago
1
Bump phonopy from 2.26.6 to 2.29.0
#1590
dependabot[bot]
closed
4 weeks ago
2
[pre-commit.ci] pre-commit autoupdate
#1588
pre-commit-ci[bot]
closed
1 month ago
1
Update pyiron_base to 0.10.4
#1587
jan-janssen
closed
1 month ago
1
Update pyiron_base to 0.10.3
#1586
jan-janssen
closed
1 month ago
1
How to load jobs which finished in old kernel (pyiron/old latest Python3.10) in new kernel (pyiron/old latest Python3.11)
#1585
lfzhu-phys
opened
1 month ago
2
`get_resolved_dos()` Inconsistent Behavior with `atom_indices` Type
#1584
yuyuanjingxuan
opened
1 month ago
0
Add new class to calculate electronic F from DFT
#1583
pmrv
opened
1 month ago
2
[pre-commit.ci] pre-commit autoupdate
#1582
pre-commit-ci[bot]
closed
1 month ago
1
Bump numpy from 1.26.4 to 2.1.2
#1581
dependabot[bot]
closed
2 weeks ago
2
Can't use off-diagonal pressures with non-triclinic boxes.
#1580
pmrv
opened
1 month ago
0
Bump mendeleev from 0.18.0 to 0.18.1
#1579
dependabot[bot]
closed
1 month ago
1
Bump mendeleev from 0.17.0 to 0.18.0
#1577
dependabot[bot]
closed
1 month ago
1
[pre-commit.ci] pre-commit autoupdate
#1576
pre-commit-ci[bot]
closed
1 month ago
1
Vasp: Fix issue with slash in POTCAR name
#1573
jan-janssen
closed
1 month ago
1
Bump h5py from 3.11.0 to 3.12.1
#1572
dependabot[bot]
closed
1 month ago
2
Create dataclasses for calc_minimize() and calc_md()
#1571
jan-janssen
opened
1 month ago
1
[pre-commit.ci] pre-commit autoupdate
#1570
pre-commit-ci[bot]
closed
1 month ago
1
Bump pandas from 2.2.2 to 2.2.3
#1569
dependabot[bot]
closed
2 months ago
2
Changes to sphinx log file parsing and spin detection
#1568
skatnagallu
closed
2 months ago
2
Changes default values for empty states and adds warnings for SPHInX
#1567
skatnagallu
opened
2 months ago
9
added vscode settings to gitignore
#1566
skatnagallu
closed
2 months ago
1
[pre-commit.ci] pre-commit autoupdate
#1565
pre-commit-ci[bot]
closed
2 months ago
1
Vasp test - replace posixpath with os.path
#1564
jan-janssen
closed
2 months ago
4
Switch to os.path.join()
#1563
jan-janssen
closed
2 months ago
1
Bump phonopy from 2.26.6 to 2.28.0
#1562
dependabot[bot]
closed
1 month ago
2
Bump mp-api from 0.42.1 to 0.42.2
#1561
dependabot[bot]
closed
2 months ago
1
Bump scikit-learn from 1.5.1 to 1.5.2
#1560
dependabot[bot]
closed
2 months ago
1
add yaml file
#1559
samwaseda
closed
1 week ago
1
Map all commands of Sphinx
#1558
samwaseda
closed
2 months ago
2
[pre-commit.ci] pre-commit autoupdate
#1557
pre-commit-ci[bot]
closed
2 months ago
1
Sphinx log parser fix
#1556
skatnagallu
opened
2 months ago
3
Merge main
#1555
jan-janssen
closed
2 months ago
0
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