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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Abstracting optimizer interface #106

Closed fedebenelli closed 1 month ago

fedebenelli commented 1 month ago

Abstracting the optimization API to ease the inclusion of other optimizers besides nlopt

TODO

codecov[bot] commented 1 month ago

Codecov Report

Attention: Patch coverage is 86.95652% with 6 lines in your changes missing coverage. Please review.

Project coverage is 93.25%. Comparing base (e0469ab) to head (84913ee). Report is 2 commits behind head on dev.

Files Patch % Lines
src/fitting/fitting.f90 66.66% 3 Missing and 1 partial :warning:
src/auxiliar/optimizers.f90 87.50% 2 Missing :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## dev #106 +/- ## ========================================== - Coverage 93.41% 93.25% -0.16% ========================================== Files 57 58 +1 Lines 2687 2683 -4 Branches 194 193 -1 ========================================== - Hits 2510 2502 -8 - Misses 127 131 +4 Partials 50 50 ```

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fedebenelli commented 1 month ago

Added PowellOptim dependency that uses Powell Optimizers (Like COBYLA) and removed nlopt, keeping it as an example of wrapping