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MagneticStructureEnumerator: add whole-motif-flip strategy for ferrimagnetic_by_motif

enhancementA new feature or improvement to an existing oneA new feature or improvement to an existing one

Status: Open.

#4698 In materialsproject/pymatgen;

· Luguza opened on Aug 11, 2026

HeisenbergMapper silently returns wrong exchange parameters when orderings live in different-sized supercells

bug

Status: Open.

#4667 In materialsproject/pymatgen;

· Luguza opened on Jun 15, 2026

Singular film supercell transformation matrix when calling get_interfaces for CoherentInterfaceBuilder

bug

Status: Open.

#4651 In materialsproject/pymatgen;

· tfhughes opened on May 1, 2026

Advisory: possible upstream Henkelman bader -b weight WS Voronoi stencil bug on non-orthogonal cells

Status: Open.

#4639 In materialsproject/pymatgen;

· janosh opened on Apr 19, 2026

Advisory: upstream Henkelman bader -b weight stores wrong attractor positions

Status: Open.

#4638 In materialsproject/pymatgen;

· janosh opened on Apr 19, 2026

PointGroupAnalyzer reports incorrect point group for C2v molecules

Status: Open.

#4596 In materialsproject/pymatgen;

· bjmorgan opened on Feb 25, 2026

CIF parsing does not work when pdb flags are used

bug

Status: Open.

#4583 In materialsproject/pymatgen;

· Andrew-S-Rosen opened on Feb 8, 2026

Too strict requirements when parsing valid NWChem input

bug

Status: Open.

#4566 In materialsproject/pymatgen;

· francescalb opened on Dec 10, 2025

pymatgen.io.vasp.inputs.Incar() does not readd the full MAGMOMS when they are split on multiple lines

bug

Status: Open.

#4552 In materialsproject/pymatgen;

· michelegalasso opened on Nov 23, 2025

Incorrect AnionCorrections obtained using MaterialsProject2020Compatibility for ComputedEntry with sulfur having positive oxidation state.

bug

Status: Open.

#4538 In materialsproject/pymatgen;

· dembart opened on Nov 6, 2025

Disordered magnetic structures not currently supported for CIF parser when I want to get structure from file.

Status: Open.

#4524 In materialsproject/pymatgen;

· Lenpka opened on Oct 18, 2025

test_packmol test_atoms_constraints fails on various architectures

bug

Status: Open.

#4519 In materialsproject/pymatgen;

· drew-parsons opened on Oct 13, 2025