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
Contributors
ToAmano