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195 Open 1,209 Closed
195 Open 1,209 Closed
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Issues list

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
1
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
Consider 'LSORBIT = True', how to use pymatgen plot element-project-DOS？ bug
#4216 opened Dec 4, 2024 by phyfang
1
Cannot init Cohpcar in matgenb example notebook: ValueError: setting an array element with a sequence.
#4215 opened Dec 4, 2024 by DanielYang59
11
Monthly issue metrics report
#4211 opened Dec 1, 2024 by github-actions bot
reduced_composition not on par with doc_string bug
#4208 opened Nov 29, 2024 by msiron-entalpic
1
test_symmetry_ops for TestMagneticSpaceGroup of symmetry.maggroups is failing
#4207 opened Nov 29, 2024 by DanielYang59
test_str and test_mul for TestStructureGraph of analysis.graphs are failing
#4206 opened Nov 29, 2024 by DanielYang59
Bugs in Composition().__ge__() method bug
#4204 opened Nov 28, 2024 by txy159
1
[Dev/Test] Migrate PymatgenTest from unittest.TestCase to pytest
#4202 opened Nov 28, 2024 by DanielYang59
1
Parsing Failure of vasprun.xml from MD Simulations Using MLFF bug
#4200 opened Nov 26, 2024 by yutoml
Poscar.get_str() cartesian vs direct coords bug
#4188 opened Nov 21, 2024 by Mikluki
1
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