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28 changes: 28 additions & 0 deletions CHANGELOG.md
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# Changelog

## 0.6.0

### Breaking changes

- The `progress` parameter on `Trajectory.from_structures()`, `Trajectory.from_xdatcar()`, and `Trajectory.from_xdatcars()` is now `bool` instead of `bool | str`. The `"notebook"` option has been removed; `tqdm.auto` now handles automatic terminal/Jupyter detection. Replace `progress="notebook"` with `progress=True`. Passing a non-bool now raises `TypeError` with a migration hint.
- Renamed `SymmetryMeasure.string` attribute to `SymmetryMeasure.name`.
- Removed unused `verbose` parameter from `Trajectory.from_structures()`, `from_xdatcar()`, and `from_xdatcars()`.
- Removed unused `offset` parameter from `Trajectory.extend()`.

### Bug fixes

- `Trajectory.extend()` now extends both structures and configurations. Previously only configurations were extended, causing the two lists to fall out of sync.

### Documentation

- Comprehensive documentation overhaul with narrative pages, guides, and grouped API reference.
- Added getting started guide and core concepts page.
- Added guides for polyhedra recipes, continuous symmetry measures, neighbour analysis, and trajectory analysis.
- Replaced auto-generated module stubs with a single grouped API reference page.
- Added citing and changelog pages.
- Modernised Sphinx configuration: replaced deprecated `recommonmark` with `myst-parser`, added `intersphinx` cross-references to pymatgen, numpy, scipy, and matplotlib.
- Filled ~30 missing docstrings across the codebase.

### Other changes

- Switched from `tqdm` / `tqdm.notebook` to `tqdm.auto` for progress bars.
- Removed unused imports from `trajectory` module.

## 0.5.0

### Performance
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