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Refactor CUI for using pypolymlp #332

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merged 5 commits into from
Jan 15, 2025
Merged

Refactor CUI for using pypolymlp #332

merged 5 commits into from
Jan 15, 2025

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atztogo
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@atztogo atztogo commented Jan 15, 2025

The pypolymlp call, previously located deep within nested functions, has been moved to the top level of the main function in phono3py_script.py. This change ensures that the CUI can terminate after developing and storing MLPs if no subsequent steps are specified.

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codecov bot commented Jan 15, 2025

Codecov Report

Attention: Patch coverage is 56.08108% with 65 lines in your changes missing coverage. Please review.

Project coverage is 67.29%. Comparing base (47aaab5) to head (9587735).
Report is 36 commits behind head on develop.

Files with missing lines Patch % Lines
phono3py/cui/load.py 51.92% 25 Missing ⚠️
phono3py/cui/phono3py_script.py 68.75% 25 Missing ⚠️
phono3py/cui/create_force_constants.py 6.66% 14 Missing ⚠️
phono3py/cui/phono3py_argparse.py 0.00% 1 Missing ⚠️
Additional details and impacted files
@@             Coverage Diff             @@
##           develop     #332      +/-   ##
===========================================
- Coverage    67.54%   67.29%   -0.26%     
===========================================
  Files           71       72       +1     
  Lines        12720    12838     +118     
===========================================
+ Hits          8592     8639      +47     
- Misses        4128     4199      +71     

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@atztogo atztogo merged commit 394e7e0 into develop Jan 15, 2025
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@atztogo atztogo deleted the refactoring branch January 15, 2025 10:15
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