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Pull requests: zincware/IPSuite

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Pull requests list

use lazy znh5md.IO with file_factory for ASEMD frames property
#449 opened Mar 5, 2026 by PythonFZ 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 Loading…
8
add surface builder and other interaction nodes
#431 opened Aug 7, 2025 by PythonFZ Loading…
4
Create model_dataset_analysis.py
#422 opened Jul 10, 2025 by PythonFZ Loading…
support passing znh5md.IO object instead of list[ase.Atoms]
#421 opened Jul 9, 2025 by PythonFZ • 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 Loading…
add verbose env
#391 opened Feb 21, 2025 by PythonFZ Loading…
Add new InterIntraMD Calculator to IPSuite 🎉 new node Add a new and exciting node to IPSuite
#388 opened Feb 16, 2025 by MrJulEnergy • Draft
1
make forces optional
#383 opened Jan 16, 2025 by MrJulEnergy • Draft
1
Add GPAW support
#345 opened Nov 25, 2024 by lkkmpn Loading…
use ipsuite-core wontfix This will not be worked on
#275 opened Apr 18, 2024 by PythonFZ • Draft
Updates to the IPSuite Docs
#272 opened Apr 18, 2024 by MrJulEnergy • Draft
Data id in atoms
#269 opened Apr 18, 2024 by PythonFZ Loading…
return ax from scatter for external usage wontfix This will not be worked on
#253 opened Jan 4, 2024 by PythonFZ Loading…
3
More generic configuration filter
#244 opened Dec 11, 2023 by Tetracarbonylnickel Loading…
4
add normalize parameter
#239 opened Nov 27, 2023 by PythonFZ • Draft
MMK Memory [WIP]
#114 opened May 25, 2023 by SamTov Loading…
1 task
add MultiXYPlot
#66 opened Apr 11, 2023 by PythonFZ Loading…
2
Testing module
#6 opened Mar 17, 2023 by PythonFZ • Draft
ProTip! Updated in the last three days: updated:>2026-03-03.