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Releases: materialsproject/pymatgen-core

v2026.4.16

16 Apr 01:04
f587bae

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  • PR #10 Updates to LAMMPS input set generators for compatibility with new atomate2 workflows (by @vir-k01)
  • PR #16 Vasprun XML parsing (io.vasp.outputs): use explicit lxml tags to reduce overhead (by @wladerer)
  • PR #22 BztPlotter.plot_props: validate band-property keys early to avoid AttributeError on unsupported properties (by @deepanshuaggarwal51)
  • Dependabot: bump orjson (PR #6), requests (PR #9), and pillow (PR #23)
  • PR #24 Fix incorrect oriented unit cell from SlabGenerator.get_slab when using constrained OUC primitive matching (by @ThomasWarford)
  • PR #25 Lazy-import matplotlib.pyplot in structure_analyzer (by @lan496)
  • PR #26 Fix deserialization of legacy phase diagram serialized data (by @esoteric-ephemera)
  • VASP input sets: pass kpath_kwargs into HighSymmKpath when building k-points from line-density configurations
  • Linting, typing, and mypy cleanups

v2026.4.7

07 Apr 22:50
1600706

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  • Phase diagram, reaction calculator and chempot diagrams are added to pymatgen-core.
  • PR #15 VaspInputSet: Display a warning when changing ISMEAR (by @yantar92)

v2026.3.9

09 Mar 23:17

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  • PR #5 Add lobster io and electronic_structure/cohp.py module with history (by @naik-aakash)
  • PR #4 Add support for jdftx YAML files in pyproject.toml (by @cote3804)

v2026.2.24

24 Feb 06:32

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  • First version of pymatgen-core, which includes all basic functionality of pymatgen.
  • Some refactoring of certain modules, e.g., structure_matcher, molecule_matcher, elasticity, etc. into
    pymatgen/core.