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LobsterPy: A package to automatically analyze LOBSTER runs

integration_instructionsResearch softwarekeyboard_double_arrow_right Software 26 Feb 2024Publisher:Zenodo
Authors: Naik, Aakash Ashok; Ueltzen, Katharina; Ertural, Christina; Jackson, Adam J.; George, Janine;
Code repository: https://github.com/JaGeo/LobsterPy/tree/v0.5.0

doi: 10.5281/zenodo.13993496 , 10.5281/zenodo.14645289 , 10.5281/zenodo.14644954 , 10.5281/zenodo.13140251 , 10.5281/zenodo.14645602 , 10.5281/zenodo.15731477 , 10.5281/zenodo.12656055 , 10.5281/zenodo.10810294 , 10.5281/zenodo.11004543 , 10.5281/zenodo.15034145 , 10.5281/zenodo.10785683 , 10.5281/zenodo.13857937 , 10.5281/zenodo.15646578 , 10.5281/zenodo.18152053 , 10.5281/zenodo.13125324 , 10.5281/zenodo.13857831 , 10.5281/zenodo.14645182 , 10.5281/zenodo.10713348 , 10.5281/zenodo.14645157 , 10.5281/zenodo.11004866 , 10.5281/zenodo.19233760 , 10.5281/zenodo.15645512 , 10.5281/zenodo.11106165 , 10.5281/zenodo.11105836 , 10.5281/zenodo.6320073

LobsterPy: A package to automatically analyze LOBSTER runs

Abstract

What's Changed Update CHANGELOG.md by @JaGeo in https://github.com/JaGeo/LobsterPy/pull/334 Ci updates by @naik-aakash in https://github.com/JaGeo/LobsterPy/pull/341 Update get struct path by @naik-aakash in https://github.com/JaGeo/LobsterPy/pull/340 Bump mendeleev from 0.17.0 to 0.18.1 by @dependabot in https://github.com/JaGeo/LobsterPy/pull/338 Bump sphinx-toolbox from 3.8.0 to 3.8.1 by @dependabot in https://github.com/JaGeo/LobsterPy/pull/339 Bump myst-nb from 1.1.1 to 1.1.2 by @dependabot in https://github.com/JaGeo/LobsterPy/pull/335 pin min pymatgen version > lobster 5.0/5.1 support by @naik-aakash in https://github.com/JaGeo/LobsterPy/pull/342 Full Changelog: https://github.com/JaGeo/LobsterPy/compare/v0.4.9...v0.5.0

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

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