bjmorgan / site-analysis / 21094679460

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github

Fix quickstart example to work out-of-box (fixes #31)

- Add example_data/XDATCAR with minimal Li trajectory for quickstart
- Update README quickstart to use example_data/XDATCAR with matching
  site centres and explanatory comments
- Add helpful error message when mobile species not found in structure,
  listing available species
- Fix docs quickstart notebook path case (xdatcar -> XDATCAR) for Linux
- Remove obsolete example/ directory (notebooks superseded by formal docs)

3 of 3 new or added lines in 1 file covered. (100.0%)

1316 of 1360 relevant lines covered (96.76%)

3.87 hits per line