Releases: materialsproject/pymatgen-core
Releases · materialsproject/pymatgen-core
v2026.4.16
- PR #10 Updates to LAMMPS input set generators for compatibility with new atomate2 workflows (by @vir-k01)
- PR #16
VasprunXML parsing (io.vasp.outputs): use explicit lxml tags to reduce overhead (by @wladerer) - PR #22
BztPlotter.plot_props: validate band-property keys early to avoidAttributeErroron 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_slabwhen using constrained OUC primitive matching (by @ThomasWarford) - PR #25 Lazy-import
matplotlib.pyplotinstructure_analyzer(by @lan496) - PR #26 Fix deserialization of legacy phase diagram serialized data (by @esoteric-ephemera)
- VASP input sets: pass
kpath_kwargsintoHighSymmKpathwhen building k-points from line-density configurations - Linting, typing, and mypy cleanups
v2026.4.7
v2026.3.9
v2026.2.24
- 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.