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Restructure feos-core #226

Merged
merged 20 commits into from
Feb 26, 2024
Merged

Restructure feos-core #226

merged 20 commits into from
Feb 26, 2024

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g-bauer
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@g-bauer g-bauer commented Feb 14, 2024

This PR restructures some elements of feos-core that make the code easier and a bit less opinionated.

  • Removal of the methods that return trait objects from Residual and IdealGas: the interface for the Helmholtz energy calculation no longer distinguishes between different contributions.
  • Consequently, we get rid of the traits and constructs to create object-safe traits.
  • Since the interface for the Helmholtz energy is less rigid we can think about efficiently calculating properties that are used across different contributions or even caching.

@prehner prehner marked this pull request as ready for review February 22, 2024 07:52
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examples/gc_pcsaft_functional.ipynb Outdated Show resolved Hide resolved
feos-core/src/density_iteration.rs Outdated Show resolved Hide resolved
feos-core/src/equation_of_state/helmholtz_energy.rs Outdated Show resolved Hide resolved
feos-core/src/equation_of_state/ideal_gas.rs Show resolved Hide resolved
src/pcsaft/eos/dispersion.rs Outdated Show resolved Hide resolved
src/pcsaft/eos/polar.rs Outdated Show resolved Hide resolved
src/pcsaft/eos/polar.rs Outdated Show resolved Hide resolved
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src/saftvrqmie/eos/dispersion.rs Outdated Show resolved Hide resolved
@g-bauer g-bauer merged commit 150568d into main Feb 26, 2024
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@g-bauer g-bauer deleted the restructure_core branch February 26, 2024 12:14
@prehner prehner added this to the v0.7.0 milestone Mar 17, 2024
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2 participants