Output the fraction of non-bonded association sites

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

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Output the fraction of non-bonded association sites #210

Closed DiegoTMelfi closed 7 months ago

DiegoTMelfi commented 9 months ago

Hi,

Is it possible to output the fraction of non-bounded association sites (Xa) from feos?

Thank you!

prehner commented 9 months ago

Hello, thank you for the question. It would be a nice feature to have in various circumstances, but the generic implementation of equations of states and properties in feos is currently not well suited for that. It would require a significant rewrite of the core components of the code and is thus not something that we have planned for the near future.

DiegoTMelfi commented 9 months ago

Hi Prehner, Thank you for the quick response!