Support for second order Feynman-Hibbs corrections using the SAFT-VRQ Mie EOS

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FeOs - A Framework for Equations of State and Classical Density Functional Theory

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Support for second order Feynman-Hibbs corrections using the SAFT-VRQ Mie EOS #160

Closed morteham closed 1 year ago

morteham commented 1 year ago

Added support for FH0 and FH2
Tested mixtures with FH2
Use Feynman-Hibbs order stored in SaftVRQMieParameters
Corrected pyhton interface
Corrected parameter paths
Added test case for FH2

g-bauer commented 1 year ago

Morten thank you very much for the PR.

I added another PR that enables parameter construction to be fallible (#161) and rebased your implementations. I slightly changed FeynmanHibbsOrder enum variants (the integer values, e.g. FH0 = 0 could be left out since they are implicitly set to the identical values but this is more readable) and used integer casting and try_from.

morteham commented 1 year ago

Great Gernot! Glad to help.