Published March 3, 2023
| Version v2023.03.03
Software
Open
materialsproject/pymatgen-analysis-defects: v2023.03.03
Authors/Creators
- 1. LLNL
- 2. Cambridge University
- 3. @WMD-group @SMTG-UCL
- 4. Rutgers University
Description
What's Changed
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in https://github.com/materialsproject/pymatgen-analysis-defects/pull/101
- Speed up oxidation state guessing using
max_sitesparameter by @kavanase in https://github.com/materialsproject/pymatgen-analysis-defects/pull/104 - Fixes for chargedensity insertion and DefectEntry by @jmmshn in https://github.com/materialsproject/pymatgen-analysis-defects/pull/103
- Remove duplicate oxi state guess (merge issue) by @kavanase in https://github.com/materialsproject/pymatgen-analysis-defects/pull/107
- Bump pre-commit from 3.0.4 to 3.1.0 by @dependabot in https://github.com/materialsproject/pymatgen-analysis-defects/pull/106
- Bump pymatgen from 2023.1.30 to 2023.2.22 by @dependabot in https://github.com/materialsproject/pymatgen-analysis-defects/pull/105
- @kavanase made their first contribution in https://github.com/materialsproject/pymatgen-analysis-defects/pull/104
Full Changelog: https://github.com/materialsproject/pymatgen-analysis-defects/compare/v2023.02.07...v2023.03.03
Files
materialsproject/pymatgen-analysis-defects-v2023.03.03.zip
Files
(87.1 MB)
| Name | Size | Download all |
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md5:dd1ae5251e460c4aebec23da3a189b81
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Additional details
Related works
- Is supplement to
- https://github.com/materialsproject/pymatgen-analysis-defects/tree/v2023.03.03 (URL)