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Pull requests: materialsproject/pymatgen

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Pull requests list

Update analyzer.py
#4464 opened Jul 26, 2025 by boyoungzheng Loading…
4 tasks
Update contributing guide
#4463 opened Jul 26, 2025 by DanielYang59 • Draft
1 task
3
[WIP] Add support for wannier90 in VASP INCAR parsing
#4462 opened Jul 22, 2025 by dom-kufel • Draft
Handle numpy array for selective dynamics in Structure
#4461 opened Jul 22, 2025 by DanielYang59 Loading…
2 tasks done
1
4
Fix PBE_64 folder directory name in pymatgen.io.vasp.inputs
#4458 opened Jul 20, 2025 by Andrew-S-Rosen • Draft
1
10
Cache macos/ubuntu optional dependency install in CI pipeline, enable mcsqs/pyzeo tests
#4455 opened Jul 13, 2025 by DanielYang59 Loading…
4 tasks done
1
Fix unit for Element properties: density_of_solid and Molar volume
#4454 opened Jul 11, 2025 by DanielYang59 Loading…
1 task done
1
2
pre-commit autoupdate
#4450 opened Jul 7, 2025 by pre-commit-ci bot Loading…
Fix ruff PERF401: manual-list-comprehension
#4449 opened Jul 6, 2025 by DanielYang59 Loading…
1
1
Remove LOBSTER output file trailing line sensitivity
#4448 opened Jul 4, 2025 by DanielYang59 Loading…
1
9
Fix has_cobicar when NcICOBILIST is present
#4447 opened Jul 3, 2025 by tomdemeyere Loading…
4 tasks
2
JDFTXOutfileSlice.vibrational_modes and JDFTXOutfileSlice.vibrational_energy_components
#4440 opened Jun 18, 2025 by benrich37 Loading…
fix: young's modulus unit
#4436 opened Jun 12, 2025 by anyangml Loading…
4 tasks
1
1
[WIP]Trajectory -> Gaussview readable ".log" file
#4422 opened May 29, 2025 by benrich37 • Draft
1
Phase Diagram Serialization Improvement
#4414 opened May 20, 2025 by fadams-umd Loading…
5
[WIP] Update VASP outputs.py for more robust piezo and elastic tensor extraction from OUTCAR
#4412 opened May 19, 2025 by knoori Loading…
[WIP] Better input set generator and sets for io.lammps
#4368 opened Apr 19, 2025 by vir-k01 Loading…
13
WIP: add script to generate lobster basis information
#4262 opened Jan 24, 2025 by JaGeo Loading…
1
Use external Package for FHI-aims IO interface
#4260 opened Jan 23, 2025 by tpurcell90 Loading…
4 tasks
6
Fix: BSPlotterProjected._Orbitals_SumOrbitals() method
#4167 opened Nov 12, 2024 by ShengLin1001 Loading…
1
WIP: Fix consideration of translation symmetry for some (extremely rare) edge cases in LobsterEnv
#4148 opened Oct 30, 2024 by JaGeo • Draft
3 tasks
1
Add a coerce formal charges method to openff code
#4142 opened Oct 27, 2024 by orionarcher Loading…
4 tasks done
1
Re-organizing VASP I/O code
#3997 opened Aug 12, 2024 by mkhorton • Draft
2 tasks
5
Add additional metadata to default CIF comment string
#3995 opened Aug 12, 2024 by mkhorton • Draft
Added _quadrant_integral function in CrystalNN
#3974 opened Aug 5, 2024 by nisse3000 Loading…
5
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