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This PR adds a function to compute the minimum of Jacobian, which could be used to measure the quality of the mesh.
This can be used to help investigate the reason for divergence.

Ref. Fig.6 in this paper: https://www.ljll.fr/~frey/papers/meshing/Wick%20T.,%20Fluid-structure%20interactions%20using%20different%20mesh%20motion%20techniques.pdf

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codecov-commenter commented Nov 19, 2024

Codecov Report

Attention: Patch coverage is 74.07407% with 7 lines in your changes missing coverage. Please review.

Project coverage is 81.36%. Comparing base (8193818) to head (6eb2bcd).

Files with missing lines Patch % Lines
src/vasp/automatedPostprocessing/log_plotter.py 63.63% 4 Missing ⚠️
src/vasp/simulations/avf.py 0.00% 2 Missing ⚠️
src/vasp/simulations/simulation_common.py 91.66% 1 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##           master     #200      +/-   ##
==========================================
- Coverage   81.42%   81.36%   -0.06%     
==========================================
  Files          32       32              
  Lines        3859     3886      +27     
==========================================
+ Hits         3142     3162      +20     
- Misses        717      724       +7     

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@keiyamamo keiyamamo marked this pull request as ready for review November 22, 2024 08:46
@keiyamamo
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Hi @johannesring

Could you please review this PR? I think this function would be a nice addition for improving log_plotter function.

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Looks good.

@keiyamamo keiyamamo merged commit ca77635 into KVSlab:master Jan 31, 2025
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@keiyamamo keiyamamo deleted the add_plot_min_jacobian branch January 31, 2025 11:27
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3 participants