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Ge thermoprops #131

Merged
merged 9 commits into from
Dec 9, 2024
Merged

Ge thermoprops #131

merged 9 commits into from
Dec 9, 2024

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SalvadorBrandolin
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Added:

excess_enthalpy, excess_entropy and ln_gamma derivatives on fortran side and test them

excess_enthalpy, excessentropy, ln_gamma derivatives and excess_gibbs on Python side

Python side methods are tested just by comparing their values with the fortran values. the fortran values are generated from a program on the app folder. Tox runs: fpm run ge_python_test_values before testing to generate the test values.

User documentation for GeModels on Fortran side documentation

All new methods and subroutines are documented.

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codecov bot commented Dec 8, 2024

Codecov Report

Attention: Patch coverage is 71.18644% with 34 lines in your changes missing coverage. Please review.

Project coverage is 90.39%. Comparing base (ccdf865) to head (b0a71f1).
Report is 26 commits behind head on dev.

Files with missing lines Patch % Lines
test/test_thermoprops_ge.f90 63.44% 17 Missing and 17 partials ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##              dev     #131      +/-   ##
==========================================
- Coverage   90.96%   90.39%   -0.58%     
==========================================
  Files          74       75       +1     
  Lines        4064     4311     +247     
  Branches      300      340      +40     
==========================================
+ Hits         3697     3897     +200     
- Misses        295      319      +24     
- Partials       72       95      +23     

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@fedebenelli fedebenelli merged commit 4b16c74 into dev Dec 9, 2024
20 of 22 checks passed
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2 participants