Skip to content

Issues: materialsproject/pymatgen

New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

191 Open 1,182 Closed
191 Open 1,182 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
Assignee
Filter by who’s assigned
Sort
Sort by
Newest Oldest Most commented Least commented Recently updated Least recently updated Best match
Most reactions
👍 👎 😄 🎉 😕 ❤️ 🚀 👀

Issues list

[Dev] Auto-merge is not working anymore, bad branch protection rules?
#4235 opened Dec 24, 2024 by DanielYang59
Wrong mapping of dielectric tasks in the mp-api bug
#4232 opened Dec 23, 2024 by Nokimann
3
Mistake in regex string of ion_or_solid_comp_object leads to example string formula "Na[+]" failing bug
#4231 opened Dec 20, 2024 by IsaacGentle
1
1
Incorrect Default Symmetry Operation in P1 Space Group Returns Three Projection Operations Instead of Identity bug
#4230 opened Dec 20, 2024 by ztn9709
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
Cannot init Cohpcar in matgenb example notebook: ValueError: setting an array element with a sequence.
#4215 opened Dec 4, 2024 by DanielYang59
10
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
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
Structure.merge_sites fails when selective_dynamics is property present bug
#4197 opened Nov 25, 2024 by yantar92
1
1
Poscar.get_str() cartesian vs direct coords bug
#4188 opened Nov 21, 2024 by Mikluki
1
CP2K input set creation (error with basis set/potential finding for given structure) bug
#4186 opened Nov 20, 2024 by msiron-entalpic
1
Timeout in MagneticStructureEnumerator (and EnumlibAdaptor) does not work bug
#4185 opened Nov 20, 2024 by fraricci
Default values replace the custom input ones in MagneticStructureEnumerator
#4184 opened Nov 19, 2024 by fraricci
10 tests error out because they fail to find some files bug
#4172 opened Nov 14, 2024 by yurivict
1
[BUG] Missing () in electronic_structure.boltztrap.BoltztrapAnalyzer.get_extreme.is_isotropic
#4165 opened Nov 11, 2024 by DanielYang59
A few functions use unrounded float as dict keys
#4162 opened Nov 10, 2024 by DanielYang59
tests use equality to compare floating point numbers
#4158 opened Nov 8, 2024 by drew-parsons
1
1
Monthly issue metrics report
#4149 opened Nov 1, 2024 by github-actions bot
Add CUDA functionality to parse_lammps_dumps to allow for NVIDIA GPU support when analyzing large dump files. enhancement A new feature or improvement to an existing one
#4125 opened Oct 19, 2024 by kimiaGF
ProTip! Exclude everything labeled bug with -label:bug.