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Releases: materialsproject/pymatgen-analysis-defects

v2023.08.22

23 Aug 00:45
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What's Changed

  • Make eget_lement_change more general by @jmmshn in #138
  • Defect generation updates by @kavanase in #133
  • Update Substitution oxi state guessing to work with uncharged structures by @kavanase in #139
  • Changes to Formation Energy Diagram Plotting by @jmmshn in #140
  • Allow charge decorated supercell structures (No change to API) by @jmmshn in #141

Full Changelog: v2023.07.31...v2023.08.22

v2023.07.31

31 Jul 20:15
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  • Optical Transition Matrix Element Plotting by @jmmshn in #137

Full Changelog: v2023.07.24...v2023.07.31

v2023.07.24

24 Jul 21:12
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Full Changelog: v2023.06.01...v2023.07.24

v2023.07.12

13 Jul 00:13
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Full Changelog: v2023.06.01...v2023.07.12

v2023.06.01

31 May 07:25
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  • Major Fixes to Selective Dynamics and Oxidation by @jmmshn in #127

Full Changelog: v2023.05.08...v2023.06.01

v2023.05.08

08 May 23:44
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v2023.05.04

04 May 22:56
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Full Changelog: v2023.04.05...v2023.05.04

v2023.04.05

05 Apr 20:06
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Full Changelog: v2023.04.04...v2023.04.05

v2023.04.04

04 Apr 21:46
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Full Changelog: v2023.03.25...v2023.04.04

v2023.03.25

26 Mar 03:43
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Full Changelog: v2023.03.03...v2023.03.25