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Thermodynamic factor (and some other stuff)#201

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morteham merged 4 commits intomainfrom
thermo_fac
Sep 22, 2025
Merged

Thermodynamic factor (and some other stuff)#201
morteham merged 4 commits intomainfrom
thermo_fac

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@vegardjervell
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@vegardjervell vegardjervell commented Sep 22, 2025

Little collection of stuff here:

  • Thermodynamic factors (because why not)
  • Use Property struct to return some SAFT Helmholtz energy contributions (needed over in SurfPack)
    • Modified the Differentials struct to handle the second derivatives.
  • Expose second temperature derivative of hard sphere diameters (needed in SurfPack)

…sion to use Property struct for returns

Other helmholtz energy contributions should also be updated for consistency. Also need to tripple check that the modification of the Differentials class to handle second derivatives hasn't broken anything.
@vegardjervell
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@morteham, it looks like one of the windows workflows failed due to some error outside our control (some server not responding or something). I think this is safe to merge even though that failed :)

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Great Vegard!

@morteham morteham merged commit 788a5d7 into main Sep 22, 2025
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@morteham morteham deleted the thermo_fac branch September 22, 2025 17:42
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2 participants