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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Method Thermoprops and analyitical solution for CubicEoS #90

Closed fedebenelli closed 1 month ago

fedebenelli commented 1 month ago

This is a big API overhaul with also some improvements.

This pull request should be considered as yaeos 1.0 since it is a big API breaker and we should adopt semantic versioning https://semver.org/

TODO:

@SalvadorBrandolin if you have time, could you add two tests?

  1. Test the newton volume solver that it is not used in the actual tests (it is in the yaeos__models_ar)
  2. Test the case where $\Delta = 0$ of the Cardano method
codecov[bot] commented 1 month ago

Codecov Report

Attention: Patch coverage is 79.10959% with 61 lines in your changes missing coverage. Please review.

Project coverage is 92.05%. Comparing base (73daaf6) to head (3e2cacf).

Files Patch % Lines
src/models/residual_helmholtz/ar_models.f90 72.80% 30 Missing and 1 partial :warning:
src/math/linalg.f90 48.00% 25 Missing and 1 partial :warning:
src/models/solvers/volume.f90 92.30% 2 Missing and 1 partial :warning:
src/phase_equilibria/flash.f90 90.90% 1 Missing :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## dev #90 +/- ## ========================================== - Coverage 94.03% 92.05% -1.99% ========================================== Files 54 54 Lines 2432 2543 +111 Branches 183 190 +7 ========================================== + Hits 2287 2341 +54 - Misses 99 154 +55 - Partials 46 48 +2 ```

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