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Allow build_unit_cell to return atom site labels (#38)
* Return additional data with unit cell * Clean up build_unit_cell * Test structured array * Swap back to multi-array return * Reset default for additional_columns * Re-enable realspace duplicate check * Fix format error * Remove unnecessary TODO * Fix type hinting in read_cell_params * Document additional_columns * Clean up comments * Clean up docstrings * Add tests for new functionality * Fix None formatting in docstrings * Clean up other docstrings * Clean up examples and verbose logging * Fix for python 3.7 * Re-enable parameterized rounding * Update ChangeLog
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changelog.rst

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@@ -4,6 +4,19 @@ Changelog
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The format is based on `Keep a Changelog <http://keepachangelog.com/en/1.1.0/>`__.
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This project adheres to `Semantic Versioning <http://semver.org/spec/v2.0.0.html>`__.
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v0.2.1 - 20XX-XX-XX
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-------------------
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Added
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~~~~~
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- New ``additional_columns`` parameter for ``build_unit_cell`` that allows the return of
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atom site labels and similar data alongside unit cell positions.
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- Ensured consistent ordering of lattice positions returned from ``build_unit_cell``.
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Fixed
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~~~~~
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- Type hints now properly link to their associated documentation.
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v0.2.0 - 2025-02-19
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