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Pull requests: zincware/MDSuite

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Pull requests list

Calculator refactor, analytic tests, uv + pyproject.toml
#619 opened May 21, 2026 by SamTov Member Loading…
6 tasks done
Update einstein_helfand_ionic_conductivity.py
#618 opened Jul 27, 2025 by b0br1s Loading…
1
Bump sphinx from 7.0.1 to 8.2.3 dependencies Pull requests that update a dependency file python Pull requests that update python code
#617 opened Mar 3, 2025 by dependabot Bot Loading…
[pre-commit.ci] pre-commit autoupdate
#614 opened Nov 18, 2024 by pre-commit-ci Bot Loading…
[WIP] use ZnH5MD
#598 opened May 16, 2023 by PythonFZ Member • Draft
use poetry
#566 opened Dec 1, 2022 by PythonFZ Member Loading…
1
[WIP] Fran graphs draft
#518 opened Apr 21, 2022 by Fratorhe Collaborator • Draft
1
[WIP] Move to new calculator API
#517 opened Apr 13, 2022 by SamTov Member Loading…
1 of 3 tasks
7
[WIP] SamTov measure memory scaling
#476 opened Jan 25, 2022 by SamTov Member Loading…
3 of 6 tasks
1
9
update get dimensionality method.
#361 opened Oct 22, 2021 by SamTov Member Loading…
6
Improving RDF draft wontfix This will not be worked on
#290 opened Aug 2, 2021 by PythonFZ Member • Draft
13
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