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Improve EinsteinHelfand class #54

Merged
merged 9 commits into from
Aug 18, 2024
Merged

Improve EinsteinHelfand class #54

merged 9 commits into from
Aug 18, 2024

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orionarcher
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@orionarcher orionarcher commented Aug 17, 2024

This PR:

  • Fixes a bug in the viscosity implementation.
  • Adds a plotting function for the EinsteinHelfand class
  • Allows automatic calculation of viscosities by specifying a fitting region
  • Slightly improves documentation
  • Adds data for a real system with known viscosity and tests against it (value is within 25%)

Fixes #53, #41 (partially), #28

PR Checklist

  • Tests?
  • Docs?
  • CHANGELOG updated? NA
  • Issue raised/referenced?

@pep8speaks
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pep8speaks commented Aug 17, 2024

Hello @orionarcher! Thanks for updating this PR. We checked the lines you've touched for PEP 8 issues, and found:

There are currently no PEP 8 issues detected in this Pull Request. Cheers! 🍻

Comment last updated at 2024-08-18 16:33:57 UTC

@hmacdope
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This has changed the expected value of the step traj test, if you can fix that up would be awesome.

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codecov bot commented Aug 18, 2024

Codecov Report

Attention: Patch coverage is 42.85714% with 12 lines in your changes missing coverage. Please review.

Project coverage is 91.25%. Comparing base (f3dcaca) to head (c62630e).
Report is 10 commits behind head on main.

Additional details and impacted files

@orionarcher orionarcher merged commit 1199bfa into main Aug 18, 2024
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Automatically calculate slope with viscosity runner
4 participants