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Releases: ToAmano/cellify

v0.2.0

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@github-actions github-actions released this 01 Jul 08:41
1468de9

What's Changed

  • Docs: Clean up codebase and streamline README.md by @ToAmano in #16
  • Docs: Add jekyll theme config for GitHub Pages by @ToAmano in #17
  • Docs: Add status and version badges to README by @ToAmano in #19
  • CI: Configure Codecov coverage reporting by @ToAmano in #20
  • test: increase test coverage to 98% and fix slab/defect edge cases by @ToAmano in #21
  • ci: add Pull Request labeler workflow by @ToAmano in #22
  • docs: add vacancy usage examples to README by @ToAmano in #24
  • feat: add structure visualization option using ASE (--view / -w) by @ToAmano in #23
  • feat: split --vacancy into --vacancy-index and --vacancy-count by @ToAmano in #27
  • feat: extract relaxed structures from QE outputs and create next input by @ToAmano in #28
  • feat: implement interactive 3D WebGL browser viewer using 3Dmol.js by @ToAmano in #29
  • update version from 0.1.2 to 0.2.0 by @ToAmano in #30

Full Changelog: v0.1.2...v0.2.0

v0.1.2

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@github-actions github-actions released this 19 Jun 13:09
94f1874

What's Changed

  • CI: Consolidate release and PyPI publishing workflows by @ToAmano in #14
  • Bump version to 0.1.2 by @ToAmano in #15

Full Changelog: v0.1.1...v0.1.2

v0.1.1

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@github-actions github-actions released this 19 Jun 12:27
429ff35

What's Changed

Full Changelog: v0.1.0...v0.1.1

v0.1.0

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@github-actions github-actions released this 19 Jun 12:24
670476c

What's Changed

  • Feat: Add --conventional option to automatically convert primitive cells by @ToAmano in #6
  • Example: Add 3C-SiC QE primitive to conventional supercell by @ToAmano in #8
  • Feat: Configure dynamic versioning and check builds by @ToAmano in #9
  • CI: Add package build verification step by @ToAmano in #10
  • CI: Add PyPI publish workflow for release automation by @ToAmano in #11
  • CI: Add auto-release on version bump by @ToAmano in #12

New Contributors

Full Changelog: https://github.com/ToAmano/cellify/commits/v0.1.0