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@SalvadorBrandolin SalvadorBrandolin commented Jul 22, 2025

Changes expected (add more if desired)

  • Improve explanations in tutorial
  • Improve docstrings/comments in internal functions
  • Maybe some tests? I think more in testing the objective_function method
  • Add new fitting cases in tutorial (Federico cases)

New objectives:

  • Improve documentation in General. Since I will be touching docs, make better all that is possible.

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codecov bot commented Jul 22, 2025

Codecov Report

❌ Patch coverage is 0% with 5 lines in your changes missing coverage. Please review.
✅ Project coverage is 91.88%. Comparing base (1ad693a) to head (de1cd75).

Files with missing lines Patch % Lines
src/models/excess_gibbs/ge_models.f90 0.00% 5 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##              dev     #155      +/-   ##
==========================================
+ Coverage   91.87%   91.88%   +0.01%     
==========================================
  Files          62       61       -1     
  Lines        6016     5988      -28     
  Branches      388      388              
==========================================
- Hits         5527     5502      -25     
+ Misses        407      404       -3     
  Partials       82       82              

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)

if np.isnan(error_i):
if np.isnan(error_i) or np.isinf(error_i):
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@SalvadorBrandolin SalvadorBrandolin Jul 23, 2025

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Added the:

or np.isinf(error_i)

To make the PT and LL specifications usable. Later, we can change that behaviour.

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flame


dt = np.empty(1, order="F") if dt else None
dt2 = np.empty(1, order="F") if dt2 else None
dt = np.array(0, dtype=np.float64) if dt else None
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This change in scalar derivatives of thermoprops (dt, dt2, dp, dv) prevents the annoying numpy deprecation warning

@fedebenelli fedebenelli changed the title Fitting Module improves (Documentation mostly) Fitting Module Improvements (Documentation mostly) Jul 24, 2025
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2 participants