search

feos-org / feos

FeOs - A Framework for Equations of State and Classical Density Functional Theory
Other
110 stars 22 forks source link

Polarizable models? #198

Closed ianhbell closed 9 months ago

ianhbell commented 9 months ago

Have you thought to possibly integrate the polarizable model of Kleiner and Gross in FEoS? I am struggling mightily to get this general approach to work and would love if I could try to understand what by looking at a parallel implementation in rust.

prehner commented 9 months ago

As far as I know, there are no plans to implement that.

ianhbell commented 9 months ago

Too bad, the polarizable models are an interesting approach for handling polar fluids.