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FeOs - A Framework for Equations of State and Classical Density Functional Theory
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Revised association contribution #150

Closed prehner closed 1 year ago

prehner commented 1 year ago

The current implementation of the association term, assumes certain association schemes depending on the provided parameters. In this PR the association term is written in a more generic way. This paves the way to allowing multiple association sites per molecule and also association between self-associating and non self-associating molecules.

For details check out the new entry in the theory guide.