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2.0.4
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@github-actions github-actions released this 04 Sep 16:35
· 708 commits to b83105a09059535699692849d8a3fe17f9a2a9ac since this release
2.0.4
312b026
  • Add supercell re-ordering tests for parsing
  • Ensure final relaxed defect site (for interstitials and substitutions) is used for finite-size
    charge corrections
  • Consolidate functions and input sets with ShakeNBreak
  • Update defect generation tests
  • Use more efficient Wyckoff determination code
Assets 2
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