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Pull requests: zincware/IPSuite

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Pull requests list

Bump pytest from 8.3.4 to 9.0.3 dependencies Pull requests that update a dependency file python:uv Pull requests that update python:uv code
#466 opened Apr 14, 2026 by dependabot bot Loading…
Bump pillow from 11.1.0 to 12.2.0 dependencies Pull requests that update a dependency file python:uv Pull requests that update python:uv code
#465 opened Apr 13, 2026 by dependabot bot Loading…
📝 Add docstrings to addGmx2FramesNode
#464 opened Apr 3, 2026 by coderabbitai bot Loading…
@MrJulEnergy
1
add gromacs to frames node
#463 opened Apr 3, 2026 by MrJulEnergy Contributor Loading…
12
Bump aiohttp from 3.11.12 to 3.13.4 dependencies Pull requests that update a dependency file python:uv Pull requests that update python:uv code
#462 opened Apr 1, 2026 by dependabot bot Loading…
Bump pygments from 2.19.1 to 2.20.0 dependencies Pull requests that update a dependency file python:uv Pull requests that update python:uv code
#461 opened Mar 30, 2026 by dependabot bot Loading…
Bump cryptography from 44.0.1 to 46.0.6 dependencies Pull requests that update a dependency file python:uv Pull requests that update python:uv code
#460 opened Mar 28, 2026 by dependabot bot Loading…
Bump requests from 2.32.3 to 2.33.0 dependencies Pull requests that update a dependency file python:uv Pull requests that update python:uv code
#459 opened Mar 26, 2026 by dependabot bot Loading…
Bump tornado from 6.5 to 6.5.5 dependencies Pull requests that update a dependency file python:uv Pull requests that update python:uv code
#457 opened Mar 13, 2026 by dependabot bot Loading…
Bump urllib3 from 2.3.0 to 2.6.3 dependencies Pull requests that update a dependency file python:uv Pull requests that update python:uv code
#456 opened Mar 13, 2026 by dependabot bot Loading…
Bump filelock from 3.17.0 to 3.20.3 dependencies Pull requests that update a dependency file python:uv Pull requests that update python:uv code
#454 opened Mar 13, 2026 by dependabot bot Loading…
Bump orjson from 3.10.15 to 3.11.6 dependencies Pull requests that update a dependency file python:uv Pull requests that update python:uv code
#455 opened Mar 13, 2026 by dependabot bot Loading…
use lazy znh5md.IO with file_factory for ASEMD frames property
#449 opened Mar 5, 2026 by PythonFZ Member Loading…
7
Feat/multipackmol change box shape
#448 opened Feb 15, 2026 by volneu Loading…
12
add vasp_cal
#447 opened Feb 9, 2026 by volneu • Draft
3
Fix __init__.py and __init__.pyi
#446 opened Dec 18, 2025 by TobiasDijkhuis Contributor Loading…
8
add surface builder and other interaction nodes
#431 opened Aug 7, 2025 by PythonFZ Member Loading…
4
Create model_dataset_analysis.py
#422 opened Jul 10, 2025 by PythonFZ Member Loading…
support passing znh5md.IO object instead of list[ase.Atoms]
#421 opened Jul 9, 2025 by PythonFZ Member • Draft
2
[pre-commit.ci] pre-commit autoupdate
#406 opened May 19, 2025 by pre-commit-ci bot Loading…
1
update IPSuite docs
#394 opened Mar 27, 2025 by PythonFZ Member Loading…
add verbose env
#391 opened Feb 21, 2025 by PythonFZ Member Loading…
Add new InterIntraMD Calculator to IPSuite 🎉 new node Add a new and exciting node to IPSuite
#388 opened Feb 16, 2025 by MrJulEnergy Contributor • Draft
1
make forces optional
#383 opened Jan 16, 2025 by MrJulEnergy Contributor • Draft
1
Add GPAW support
#345 opened Nov 25, 2024 by lkkmpn Loading…
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