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Pull requests: materialsproject/pymatgen

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Pull requests list

Bump requests from 2.32.4 to 2.33.0 dependencies Dependency issues and PRs python:uv Pull requests that update python:uv code
#4620 opened Mar 26, 2026 by dependabot bot Loading…
Add Elasticipy to addons documentation
#4619 opened Mar 25, 2026 by DorianDepriester Loading…
Avoid and fix Deprecation Warnings
#4617 opened Mar 24, 2026 by kavanase Loading…
2
Bump activesupport from 7.0.7.2 to 7.2.3.1 in /docs dependencies Dependency issues and PRs ruby Pull requests that update Ruby code
#4616 opened Mar 24, 2026 by dependabot bot Loading…
fix: correctly clear energy_adjustments in clean mode (avoid skipped removals)
#4615 opened Mar 23, 2026 by irishmango Loading…
fix: prevent same-composition entries from reappearing in inner hull reduction
#4614 opened Mar 23, 2026 by irishmango Loading…
docs: document name parameter in TransformedPDEntry.__init__
#4613 opened Mar 23, 2026 by irishmango Loading…
1 task done
[WIP]Trajectory -> Gaussview readable ".log" file
#4422 opened May 29, 2025 by benrich37 • Draft
1
[WIP] Update VASP outputs.py for more robust piezo and elastic tensor extraction from OUTCAR
#4412 opened May 19, 2025 by knoori Loading…
Fix: BSPlotterProjected._Orbitals_SumOrbitals() method
#4167 opened Nov 12, 2024 by ShengLin1001 Loading…
1
Add additional metadata to default CIF comment string
#3995 opened Aug 12, 2024 by mkhorton • Draft
WIP: Adding support for reading vaspwave.h5 in Wavecar and Chgcar class enhancement A new feature or improvement to an existing one io Input/output functionality vasp Vienna Ab initio Simulation Package
#3768 opened Apr 18, 2024 by Shibu778 Loading…
4 tasks done
11
Add support for parsing orbital moments from OUTCAR enhancement A new feature or improvement to an existing one io Input/output functionality vasp Vienna Ab initio Simulation Package
#3463 opened Nov 9, 2023 by oashour Loading…
4 tasks done
12
Add a save parameter for chargemol calculation to select whether save the output files, use "link" rather than "copy" for the input file of chargemol calc, add mpi function to run chargemol.
#3456 opened Nov 4, 2023 by RedStar-Iron Loading…
3
Q-Chem initial_hessian handling enhancement A new feature or improvement to an existing one io Input/output functionality molecules Molecule stuff
#3346 opened Sep 21, 2023 by samblau • Draft
1
Add F* diagram generator to pymatgen analysis Concerning pymatgen.analysis enhancement A new feature or improvement to an existing one needs testing PRs that are not ready to merge due to lacking tests
#3277 opened Aug 28, 2023 by jonathanjdenney Loading…
3 of 4 tasks
11
Bugfix for Vasprun reading with POTCAR for chemical shift calculations fix Bug fix PRs io Input/output functionality vasp Vienna Ab initio Simulation Package
#3204 opened Aug 2, 2023 by MichaelWolloch Loading…
[WIP] Add I/O interface with Metalwalls feature PRs with new features, not enhancements to existing features io Input/output functionality needs testing PRs that are not ready to merge due to lacking tests
#3193 opened Jul 29, 2023 by chiang-yuan • Draft
37 of 60 tasks
2
Bug fix: change CifWriter to save only the element symbol, and not the entire species string fix Bug fix PRs io Input/output functionality needs testing PRs that are not ready to merge due to lacking tests
#3071 opened Jun 15, 2023 by kamronald Loading…
4 tasks
6
Add Structure.sublattices and class RandomStructureTransformation to standard_transformations.py enhancement A new feature or improvement to an existing one needs testing PRs that are not ready to merge due to lacking tests
#3057 opened Jun 10, 2023 by exenGT Loading…
1
17
Fix typo in equation that computes interplanar angels needs testing PRs that are not ready to merge due to lacking tests
#2780 opened Dec 21, 2022 by EurusWei Loading…
4 tasks
5
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