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added pre-commit hooks; fixed whitespace and capitalization dependent parameter replacement; fixed creation of annealing and emin sim directories

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robrobo
2026-06-26 17:38:59 +02:00
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README.md
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# polyamorphism_optimization
Code snippets for creation of simulations, analysis, and optimized parameter search for liquids with polyamorphism. Goal is to find parameters for which dynamics is still fast at the critical point and the dynamic anomaly that follows can be studied more easily.
Code snippets for creation of simulations, analysis, and optimized parameter search for liquids with polyamorphism. Goal is to find parameters for which dynamics is still fast at the critical point and the dynamic anomaly that follows can be studied more easily.
#### Setting up pre-commit hooks
```
pip install pre-commit
pre-commit autoupdate
pre-commit install
pre-commit run #--all-files
```