Skip to content

Pull requests: materialsproject/pymatgen

New pull request New
52 Open 2,639 Closed
52 Open 2,639 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
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Pull requests list

fix: preserve site properties over cell transform
#4123 opened Oct 18, 2024 by Lattay Loading…
2 tasks done
Make Incar keys case insensitive, fix init Incar from dict val processing for str/float/int
#4122 opened Oct 18, 2024 by DanielYang59 Loading…
6 tasks done
1
15
Support Pymatgen Species object in aims
#4118 opened Oct 17, 2024 by ansobolev Loading…
Migrate ext.COD from mysql to REST API
#4117 opened Oct 17, 2024 by DanielYang59 Loading…
1 task done
1
1
bump networkx to 2.7 to fix intermittent CI failure when torch install failed: ImportError: cannot import name 'Mapping' from 'collections'
#4116 opened Oct 17, 2024 by DanielYang59 Loading…
1
Bugfix: Parsing bugs in io.pwscf.PWInput
#4115 opened Oct 17, 2024 by jsukpark Loading…
1
Fix arg passing in inverse property of SymmOp
#4113 opened Oct 16, 2024 by DanielYang59 Loading…
1
2
Add support for use_structure_charge keyword in FHI-aims input generator
#4111 opened Oct 15, 2024 by ansobolev Loading…
3 of 4 tasks
1
Remove all no_type_check mark, fix new mypy error in 1.12.0
#4110 opened Oct 14, 2024 by DanielYang59 Loading…
4
Fix savefig in pmg.cli.plot
#4109 opened Oct 14, 2024 by DanielYang59 Loading…
2 tasks done
1
1
Properly test ase not installed error, use single skip mark for module level test skip
#4107 opened Oct 13, 2024 by DanielYang59 Loading…
3
Replace deprecated ExpCellFilter with FrechetCellFilter
#4105 opened Oct 12, 2024 by ab5424 Loading…
4 tasks done
2
pin python 3.12 in CI and requires-python
#4102 opened Oct 10, 2024 by DanielYang59 Loading…
5
bump chgnet to support numpy 2, skip failing matgl test for torch 2.4.1
#4101 opened Oct 10, 2024 by DanielYang59 Loading…
6
Fix selective_dyn handling issue in python>=3.12
#4097 opened Oct 8, 2024 by kavanase Loading…
pre-commit autoupdate
#4096 opened Oct 7, 2024 by pre-commit-ci bot Loading…
Prevent unit test of boltztrap2 from modifying files in place
#4095 opened Oct 4, 2024 by DanielYang59 Loading…
1 task done
1
Correctly compute rotational symmetry number for D*h point group
#4093 opened Oct 3, 2024 by afonari Loading…
Enhance test for util function is_np_dict_equal
#4092 opened Oct 3, 2024 by DanielYang59 Loading…
1
Bump webrick from 1.8.1 to 1.8.2 in /docs dependencies Dependency issues and PRs ruby Pull requests that update Ruby code
#4090 opened Oct 2, 2024 by dependabot bot Loading…
Allow more than 20 terminal groups in CompoundPhaseDiagram
#4081 opened Sep 26, 2024 by afonari Loading…
2
JDFTx IO module
#4078 opened Sep 24, 2024 by benrich37 Loading…
13
Use binary distribution (wheels) to install pymatgen in test suite
#4073 opened Sep 18, 2024 by DanielYang59 Loading…
1 task done
1
Test monty fix for reverse_readline
#4068 opened Sep 15, 2024 by DanielYang59 • Draft
1 task done
1
Fix branch directory check in io.vasp.outputs.get_band_structure_from_vasp_multiple_branches electronic structure Electronic structure functionality related fix Bug fix PRs
#4061 opened Sep 11, 2024 by DanielYang59 Loading…
1 task
1
6
ProTip! Mix and match filters to narrow down what you’re looking for.