ipqa-research / yaeos

Thermodynamic Equations of State, Fortran library with both automatic and anallytical derivation capabilities
https://ipqa-research.github.io/yaeos/
Mozilla Public License 2.0
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Uniquac dev #117

Closed SalvadorBrandolin closed 1 month ago

SalvadorBrandolin commented 1 month ago

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.

codecov[bot] commented 1 month ago

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 :warning:
Additional details and impacted files ```diff @@ 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 commented 1 month ago

joya