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Pull requests: materialsproject/pymatgen

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Pull requests list

Python 3.14 support
#4516 openedOct 9, 2025 byDanielYang59Loading…
1 task
[WIP] Fix icohpcollection
#4481 openedAug 16, 2025 bynaik-aakash • Draft
2 of 3 tasks
fix: young's modulus unit
#4436 openedJun 12, 2025 byanyangmlLoading…
4 tasks
Phase Diagram Serialization Improvement
#4414 openedMay 20, 2025 byfelix-adamsLoading…
Add a coerce formal charges method to openff code
#4142 openedOct 27, 2024 byorionarcherLoading…
4 tasks done
Re-organizing VASP I/O code
#3997 openedAug 12, 2024 bymkhorton • Draft
2 tasks
bugfix: chargemol runtime directory andos.path.exists fix analysisConcerning pymatgen.analysis chargeElectric charge analysis, partitioning, integrations, etc. fixBug fix PRs needs testingPRs that are not ready to merge due to lacking tests
#3778 openedApr 21, 2024 bychiang-yuanLoading…
2 of 3 tasks
WIP: Adding support for reading vaspwave.h5 in Wavecar and Chgcar class enhancementA new feature or improvement to an existing one ioInput/output functionality vaspVienna Ab initio Simulation Package
#3768 openedApr 18, 2024 byShibu778Loading…
4 tasks done
Add support for parsing orbital moments from OUTCAR enhancementA new feature or improvement to an existing one ioInput/output functionality vaspVienna Ab initio Simulation Package
#3463 openedNov 9, 2023 byoashourLoading…
4 tasks done
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