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Refactor and optimize code:#111

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MarvinTaterra merged 1 commit into
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revise_code
Jun 18, 2026
Merged

Refactor and optimize code:#111
MarvinTaterra merged 1 commit into
masterfrom
revise_code

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@NDoering99

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  • Introduced _select_subsystem function for atom selection in mdpath.py.
  • Streamlined mutual information analysis in mdpath_tools.py.
  • Removed unused imports and functions across various modules.
  • Enhanced path properties computation in visualization.py.
  • Updated tests to reflect code changes and removed obsolete tests.
  • Removed seaborn dependency from pyproject.toml.

- Introduced `_select_subsystem` function for atom selection in `mdpath.py`.
- Streamlined mutual information analysis in `mdpath_tools.py`.
- Removed unused imports and functions across various modules.
- Enhanced path properties computation in `visualization.py`.
- Updated tests to reflect code changes and removed obsolete tests.
- Removed seaborn dependency from `pyproject.toml`.
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⚠️ Please install the 'codecov app svg image' to ensure uploads and comments are reliably processed by Codecov.

Codecov Report

❌ Patch coverage is 42.59259% with 31 lines in your changes missing coverage. Please review.
✅ Project coverage is 82.00%. Comparing base (8f93450) to head (a69ea47).
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@MarvinTaterra MarvinTaterra merged commit 972f9c7 into master Jun 18, 2026
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3 participants