Simpatico  v1.10

The SlitExternal interaction implements a repulsive 9-3 confining potential in which confining forces act only along the z/2 direction. In a boundary of length $L$ in the $z$ direction, the potential confines particles to the domain $0 < z < L$ by putting repulsive walls as $z = 0$ and $z = L$. Let d be the shortest distance to these walls, given by the lesser of z and L - z. The potential energy is a function of d, and is given by

\[ V(d) = \frac{4\pi \epsilon \rho\sigma^{3}} {45} \left ( \frac{\sigma^{9}}{d^{9}} - 7.5 \frac{\sigma^{9}}{d^{9}} + \frac{25}{\sqrt{10}} \right) \]

for $ d_{i} < d < d_{c} $, where $ d_{i} = 0.506079 \sigma $, and where $ d_{c} $ is a user provided cutoff. For $ d > d_{c} $, the potential and force both vanish: $ V(d) = 0 $. For $ d < d_{i} $, $ V(d) = V(d_{i}) $, and the force vanishes.

The parameter file format for SlitExternal is

epsilon float
sigma float
cutoff float

The parameter $\rho$ has a hard-coded default value of $\rho \equiv 0.7$.