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Meshing script improvements #140

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merged 4 commits into from
Mar 6, 2024

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johannesring
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This PR includes the following meshing scripts improvements:

  • Use configargparse to allow to generate a mesh using a config file (use the --config option in vasp-generate-mesh).
  • Use pathlib for paths.
  • Increase the number of default retries for mesh generation failures (trying to reduce failures on github).

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Codecov Report

Attention: Patch coverage is 70.79646% with 33 lines in your changes are missing coverage. Please review.

Project coverage is 74.65%. Comparing base (b4671c5) to head (c814cc3).
Report is 8 commits behind head on master.

Files Patch % Lines
.../automatedPreprocessing/automated_preprocessing.py 69.69% 30 Missing ⚠️
...asp/automatedPreprocessing/preprocessing_common.py 78.57% 3 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##           master     #140      +/-   ##
==========================================
- Coverage   74.74%   74.65%   -0.10%     
==========================================
  Files          26       26              
  Lines        3168     3172       +4     
==========================================
  Hits         2368     2368              
- Misses        800      804       +4     

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@keiyamamo keiyamamo left a comment

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Looks great!

@johannesring johannesring merged commit 1a0a11b into master Mar 6, 2024
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@johannesring johannesring deleted the johannr/meshing-script-improvements branch March 6, 2024 14:32
@keiyamamo keiyamamo mentioned this pull request Mar 13, 2024
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3 participants