Skip to content

Pull requests: materialsproject/pymatgen

New pull request New
44 Open 2,878 Closed
44 Open 2,878 Closed
Author
Filter by author
Loading
Label
Filter by label
Loading
Use alt + click/return to exclude labels
or ⇧ + click/return for logical OR
Projects
Filter by project
Loading
Milestones
Filter by milestone
Loading
Reviews
Filter by reviews
No reviews Review required Approved review Changes requested
Assignee
Filter by who’s assigned
Assigned to nobody Loading
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Pull requests list

PhaseDiagram plotter only show lowest energy for unstable composition
#4511 opened Oct 4, 2025 by DanielYang59 Loading…
1
1
suppress runtime warning from boltztrap2
#4510 opened Oct 4, 2025 by DanielYang59 Loading…
1
Add references/source to periodic table data
#4507 opened Sep 30, 2025 by DanielYang59 Loading…
1
1
Various bug fixes
#4506 opened Sep 29, 2025 by esoteric-ephemera Loading…
2
18
Update rVV10 parameters for r2SCAN+rVV10 in MPScanRelaxSet()
#4504 opened Sep 28, 2025 by junchichen21 Loading…
1
Replace print with logging
#4503 opened Sep 25, 2025 by DanielYang59 Loading…
Fix: indexing error in Procar._read()
#4502 opened Sep 22, 2025 by finnrk Loading…
Fix pre-commit errors, make mypy runnable in pre-commit locally, remove fdint from optional dependency, doc/test clean up for matproj
#4501 opened Sep 21, 2025 by DanielYang59 Loading…
1 task done
1
Allow for setting termination_ftol for film and substrate slabs separately
#4498 opened Sep 16, 2025 by jinlhr542 Loading…
6
[WIP] Simplify and clean up LobsterNeighbors
#4482 opened Aug 16, 2025 by naik-aakash • Draft
[WIP] Fix icohpcollection
#4481 opened Aug 16, 2025 by naik-aakash • Draft
2 of 3 tasks
[WIP] Add support for wannier90 in VASP INCAR parsing
#4462 opened Jul 22, 2025 by dom-kufel • Draft
Fix PBE_64 folder directory name in pymatgen.io.vasp.inputs
#4458 opened Jul 20, 2025 by Andrew-S-Rosen • Draft
1
11
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…
14
WIP: add script to generate lobster basis information
#4262 opened Jan 24, 2025 by JaGeo Loading…
1
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
ProTip! Mix and match filters to narrow down what you’re looking for.