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202 Open 1,219 Closed
202 Open 1,219 Closed
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Issues list

Consistent serialization method naming (as_dict preferred over to_dict?)
#4351 opened Apr 4, 2025 by DanielYang59
1
4
ICOHPLIST Parser in pymatgen Does Not Handle Missing Trailing Newline (Ref: lobsterpy#389) bug
#4349 opened Apr 4, 2025 by alibh95
WAVECAR read error: "ValueError: Incorrect vasp_type=None" bug
#4346 opened Apr 2, 2025 by AyeshaUlde
Monthly issue metrics report
#4340 opened Apr 1, 2025 by github-actions bot
AseAtomsAdaptor -> Structure -> to(fmt="json") fails bug
#4339 opened Mar 28, 2025 by bkmi
Simple correction proposal for CifFile to handle properly CifBlock with same header enhancement A new feature or improvement to an existing one
#4337 opened Mar 28, 2025 by E-Veillon
Incorrect MAGMOM Handling in MPStaticSet When Using add_spin_by_site() bug
#4335 opened Mar 28, 2025 by KylinGuo
Sort a molecular crystal supercell
#4333 opened Mar 22, 2025 by pradipchm
LATTICE_CONSTRAINTS tag not read properly for Incar bug
#4325 opened Mar 14, 2025 by edansi
5
More sources/references in periodic table enhancement A new feature or improvement to an existing one
#4313 opened Mar 4, 2025 by CakeIsYummy21
Fix SpaceGroup.symbol to return short HM symbol always (incl. monoclinic spacegroups)
#4310 opened Mar 2, 2025 by janosh
ImportError: cannot import name 'SymmetryGroup' from partially initialized module 'pymatgen.symmetry.groups' bug
#4309 opened Mar 1, 2025 by janosh
1
Monthly issue metrics report
#4308 opened Mar 1, 2025 by github-actions bot
ELFCAR data field names do not make sense ux User experience
#4307 opened Feb 28, 2025 by Andrew-S-Rosen
1
ENAUG in modern MP VASP sets should likely be removed bug
#4301 opened Feb 23, 2025 by Andrew-S-Rosen
[Question]: Usage of Graph Algorithms and Any Slowdowns?
#4298 opened Feb 20, 2025 by nv-rliu
Wrong reassignment of translations for edges in __mul__ method of StructureGraph object bug
#4293 opened Feb 18, 2025 by trioxane
2
Replace pybtex or make it optional?
#4285 opened Feb 9, 2025 by DanielYang59
1
Python 3.13 support
#4284 opened Feb 8, 2025 by janosh
1
4
Redefinition of the ASE Atoms class in pymatgen.io.ase is problematic with type checkers
#4282 opened Feb 6, 2025 by tomdemeyere
Monthly issue metrics report
#4277 opened Feb 1, 2025 by github-actions bot
36 tests failed bug
#4264 opened Jan 25, 2025 by yurivict
Mixing scheme fails to mix entries from the same material id even when their structures match bug
#4261 opened Jan 24, 2025 by PutuB
port MPSurfaceSet from atomate(1) to pymatgen enhancement A new feature or improvement to an existing one
#4247 opened Jan 7, 2025 by rkingsbury
3
Specify equivalent sites included in different unit cells in get_miller_index_from_site_indexes of the Structure class enhancement A new feature or improvement to an existing one
#4220 opened Dec 8, 2024 by ShotaNamerikawa
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