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Commits on Jun 9, 2025

• Added the first part of the user guide.

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• Updated documentation and some variable / function names.

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• Updated README.

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• Updated the correlations module.

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Commits on Jun 8, 2025

• Minor update to the documentation of the quaternions module.

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• Updated documentation and testing of the orientations module.

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Commits on Jun 5, 2025

• Major overhaul of the documentation infrastructure.

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Commits on Jun 3, 2025

• Updated documentation and testing of the quaternions module.

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Commits on May 27, 2025

• Removed deprecated fitting functions.

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Commits on May 5, 2025

• Update fitting.

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• Allow different weights for centering and fitting. Use masses by default for centering (and fitting).

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Commits on Mar 7, 2025

• Updated the tutorial.

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• Updated README.

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• Include tutorial in documentation.

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Commits on Mar 6, 2025

• Changed name to RotationalDiffusion (CamelCase instead of lowercase).

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• Updated Readme.

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• Added a tutorial.

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• Updated Orientations class:

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Commits on Mar 5, 2025

• Updated tests for orientations.py

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Commits on Mar 2, 2025

• Updated orientation.py module docstring, removed automatically generated directory from the doc files.

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• Updated the orientations module and corresponding tests. Removed the load_orientations function.

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Commits on Feb 28, 2025

• Fixed imports.

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• Updated configuration files of the documentation.

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• Merge remote-tracking branch 'origin/core' into core

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• Split diffusion module into several smaller modules.

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• Split diffusion module into several smaller modules. Some leftovers remain in diffusion for now.

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• Cleaned up.

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Commits on Feb 27, 2025

• Updated pyproject.toml.

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Commits on Feb 15, 2025

• Switched to src layout.

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• Added align module with reimplemented iterative_average function. Minor additional changes.

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Commits on Oct 5, 2024

• Added readthedocs.yaml

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Commits on Oct 1, 2024

• Added tests for `correlations` module. Updated TODOs, removed MDAnalysis dependency for now in pyproject.toml.

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• Implemented `correlate` properly and added TODOs. Some changes to the namespaces.

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• Filled in unit test for start, stop, step functionality of load_universes function.

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Commits on Sep 23, 2024

• Updated README.rst.

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