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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
26 stars 4 forks source link

Road to v0.3 #72

Closed fedebenelli closed 2 months ago

fedebenelli commented 2 months ago
codecov[bot] commented 2 months ago

Codecov Report

Attention: Patch coverage is 93.77990% with 65 lines in your changes missing coverage. Please review.

Project coverage is 93.81%. Comparing base (8fbb6cf) to head (27ab079). Report is 6 commits behind head on main.

:exclamation: Current head 27ab079 differs from pull request most recent head 0e3bec2

Please upload reports for the commit 0e3bec2 to get more accurate results.

Files Patch % Lines
...phase_equilibria/boundaries/phase_envelopes_pt.f90 48.78% 21 Missing :warning:
test/fixtures/fix_models.f90 84.84% 10 Missing :warning:
src/fitting/fitting.f90 80.00% 5 Missing and 2 partials :warning:
...els/residual_helmholtz/cubic/mixing_rules/base.f90 84.84% 5 Missing :warning:
...idual_helmholtz/cubic/mixing_rules/huron_vidal.f90 91.66% 4 Missing and 1 partial :warning:
.../models/excess_gibbs/group_contribution/unifac.f90 98.00% 1 Missing and 3 partials :warning:
...elmholtz/cubic/implementations/implementations.f90 71.42% 2 Missing and 2 partials :warning:
src/math/continuation.f90 50.00% 2 Missing and 1 partial :warning:
src/phase_equilibria/saturations_points.f90 0.00% 2 Missing :warning:
src/fitting/kij_lij.f90 90.00% 1 Missing :warning:
... and 3 more
Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #72 +/- ## ========================================== + Coverage 90.97% 93.81% +2.83% ========================================== Files 41 53 +12 Lines 1729 2408 +679 Branches 134 180 +46 ========================================== + Hits 1573 2259 +686 - Misses 87 103 +16 + Partials 69 46 -23 ```

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fedebenelli commented 2 months ago

Michelsen Modified-Huron-Vidal (MHV1) Added as a first example of a $G^E$-based mixing rule

fedebenelli commented 2 months ago

While this won't be the last iteration, a basic parameter fitting logic has been added. This probably would be enough for releasing v0.3.

Opinions? @SalvadorBrandolin