feos.dft.ExternalPotential.HardWall¶
- static ExternalPotential.HardWall(sigma_ss)¶
Hard wall potential
\[\begin{split}V_i^\mathrm{ext}(z)=\begin{cases}\infty&z\leq\sigma_{si}\\\\0&z>\sigma_{si}\end{cases},~~~~\sigma_{si}=\frac{1}{2}\left(\sigma_{ss}+\sigma_{ii}\right)\end{split}\]- Parameters:
sigma_ss (float) – Segment diameter of the solid.
- Return type: