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Published April 21, 2024 | Version v0.4.1
Software Open

LobsterPy: A package to automatically analyze LOBSTER runs

Authors/Creators

Description

What's Changed

  • clean up DOSCAR.LSO.lobster handling and add cli test for POSCAR.lobster by @naik-aakash in https://github.com/JaGeo/LobsterPy/pull/257
  • Fix saving of plots by @JaGeo in https://github.com/JaGeo/LobsterPy/pull/262
  • fix linting by @JaGeo in https://github.com/JaGeo/LobsterPy/pull/263
  • fix automatic plotting for large structures by @JaGeo in https://github.com/JaGeo/LobsterPy/pull/265
  • Update README.md by @JaGeo in https://github.com/JaGeo/LobsterPy/pull/266
  • Update README.md by @JaGeo in https://github.com/JaGeo/LobsterPy/pull/267
  • add code of conduct by @naik-aakash in https://github.com/JaGeo/LobsterPy/pull/268
  • pre-commit autoupdate by @pre-commit-ci in https://github.com/JaGeo/LobsterPy/pull/270
  • indicate python versions correctly. by @JaGeo in https://github.com/JaGeo/LobsterPy/pull/271
  • Update pymatgen version by @JaGeo in https://github.com/JaGeo/LobsterPy/pull/273
  • Bump myst-nb from 1.0.0 to 1.1.0 by @dependabot in https://github.com/JaGeo/LobsterPy/pull/274
  • Update pyproject.toml by @JaGeo in https://github.com/JaGeo/LobsterPy/pull/275
  • Update CHANGELOG.md by @JaGeo in https://github.com/JaGeo/LobsterPy/pull/276

New Contributors

  • @pre-commit-ci made their first contribution in https://github.com/JaGeo/LobsterPy/pull/270

Full Changelog: https://github.com/JaGeo/LobsterPy/compare/v0.4.0...v0.4.1

Notes

If you use this software, please cite our article in the Journal of Open Source Software.

Files

JaGeo/LobsterPy-v0.4.1.zip

Files (107.7 MB)

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Additional details

Related works

Is supplement to
Software: https://github.com/JaGeo/LobsterPy/tree/v0.4.1 (URL)