sarkas.potentials.hs_yukawa

Module for handling Hard-Sphere Yukawa potential.

Potential

The Hard-Sphere Yukawa potential between two charges $q_i$ and $q_j$ at distant $r$ is defined as

$$U_{ab}(r)={\left(\frac{\sigma }{r}\right)}^n+\frac{q_a{q}_b}{4\pi {ϵ}_0}\frac{e^{-\kappa r}}{r}.$$

where $\kappa =1/\lambda$ is the screening parameter.

Potential Attributes

The elements of the sarkas.potentials.core.Potential.pot_matrix are:

pot_matrix[0] = q_iq_j^2/(4 pi eps0)
pot_matrix[1] = 1/lambda
pot_matrix[2] = Ewald screening parameter
pot_matrix[3] = short range cutoff

Functions

pretty_print_info(potential)	Print potential specific parameters in a user-friendly way.
update_params(potential, species)	Assign potential dependent simulation's parameters.