Releases: materialsproject/pymatgen-analysis-defects
Releases · materialsproject/pymatgen-analysis-defects
v2023.03.03
What's Changed
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #101
- Speed up oxidation state guessing using
max_sites
parameter by @kavanase in #104 - Fixes for chargedensity insertion and DefectEntry by @jmmshn in #103
- Remove duplicate oxi state guess (merge issue) by @kavanase in #107
- Bump pre-commit from 3.0.4 to 3.1.0 by @dependabot in #106
- Bump pymatgen from 2023.1.30 to 2023.2.22 by @dependabot in #105
New Contributors
Full Changelog: v2023.02.07...v2023.03.03
v2023.02.07
What's Changed
- Bump pre-commit from 2.21.0 to 3.0.2 by @dependabot in #96
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #88
- Bump pymatgen from 2023.1.20 to 2023.1.30 by @dependabot in #97
- Bump pre-commit from 3.0.2 to 3.0.4 by @dependabot in #98
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #99
- Added bulk entry to DefectEntry by @jmmshn in #100
Full Changelog: v2023.01.30...v2023.02.07
v2023.01.30b
What's Changed
- Bump pre-commit from 2.21.0 to 3.0.2 by @dependabot in #96
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #88
Full Changelog: v2023.01.30...v2023.01.30b
v2023.01.30
What's Changed
- Bump pymatgen from 2022.11.7 to 2023.1.20 by @dependabot in #91
- Bump pytest from 7.2.0 to 7.2.1 by @dependabot in #89
- Minor fixes to thermo and ccd by @jmmshn in #95
Full Changelog: v2023.01.26...v2023.01.30
v2023.01.26
What's Changed
- Bump pydefect from 0.6.2 to 0.7.0 by @dependabot in #86
- Minor Fixes by @jmmshn in #92
Full Changelog: v2023.01.08...v2023.01.26
v2023.01.08
What's Changed
- Bump pre-commit from 2.20.0 to 2.21.0 by @dependabot in #76
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #78
- Voronoi Interstitial Generator by @jmmshn in #82
- Kumagai EFNV correction by @jmmshn in #83
- Plotting by @nwinner in #67
Full Changelog: v2022.12.27...v2023.01.08
v2022.12.27
v2022.12.21
What's Changed
- Bump pytest from 7.1.2 to 7.2.0 by @dependabot in #69
- Bump pytest-cov from 3.0.0 to 4.0.0 by @dependabot in #70
- Update thermo.py by @nwinner in #71
- Complete rework of how SRH is calculated by @jmmshn in #73
- [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #72
- Remove repeated installs in gh wf by @jmmshn in #74
Full Changelog: v2022.12.20...v2022.12.21
v2022.12.20
What's Changed
Full Changelog: v2022.12.16...v2022.12.20
v2022.12.16.c
Full Changelog: v2022.12.16.b...v2022.12.16.c