enum site::IonState

Overview

Ions read against a per-atom ice assignment. More…

#include <site.hpp>
 
enum IonState {
    liquid = 0,
    front  = 1,
    ice    = 2,
};

Detailed Documentation

Ions read against a per-atom ice assignment.

Ions are not part of the hydrogen-bond network; the assignment is computed on the water and each ion is classed by its first water shell: every shell molecule labelled is ice, none is liquid, otherwise front. An ion with an empty shell is liquid.