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Uniquac dev #117

Merged
merged 24 commits into from
Oct 2, 2024
Merged

Uniquac dev #117

merged 24 commits into from
Oct 2, 2024

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SalvadorBrandolin
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@SalvadorBrandolin SalvadorBrandolin commented Oct 2, 2024

Modelo UNIQUAC implementado con API Python

Tiene tests desde el lado fortran y el Python (solo corroborar que se obtengan los mismos valores de ln_gamma)

Se implementaron las derivadas dxk_dni y d2xk_dnidnj en el modulo math. No tienen tests particulares, estan testeadas mediante su uso en UNIQUAC.

Veo que el PR tiene un montón más de cambios, el branch lo hice a partir de la main que habiamos cambiado varias cosas de la documentación y el CI, es eso.

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codecov bot commented Oct 2, 2024

Codecov Report

Attention: Patch coverage is 99.35691% with 2 lines in your changes missing coverage. Please review.

Project coverage is 93.95%. Comparing base (0bf8906) to head (94c9cdb).
Report is 25 commits behind head on dev.

Files with missing lines Patch % Lines
src/models/excess_gibbs/uniquac.f90 98.83% 1 Missing and 1 partial ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##              dev     #117      +/-   ##
==========================================
+ Coverage   93.37%   93.95%   +0.58%     
==========================================
  Files          65       67       +2     
  Lines        2896     3207     +311     
  Branches      212      251      +39     
==========================================
+ Hits         2704     3013     +309     
- Misses        139      140       +1     
- Partials       53       54       +1     

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@fedebenelli
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joya

@fedebenelli fedebenelli merged commit 8194be4 into dev Oct 2, 2024
22 checks passed
@SalvadorBrandolin SalvadorBrandolin deleted the uniquac_dev branch October 30, 2024 23:35
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2 participants