matscipy.electrochemistry

Provides continuous 1D Poisson-Nernst-Planck system solver, sampling of discrete coordinate sets from continuum fields, steric correction for avoiding overlap of finite size species.

Modules

matscipy.electrochemistry.continuous2discrete(...)	Generate 'atoms' from continuous distribution(s).
matscipy.electrochemistry.poisson_boltzmann_distribution	Calculate ionic densities consistent with the Poisson-Boltzmann equation.
matscipy.electrochemistry.poisson_nernst_planck_solver	Compute ion concentrations with general Poisson-Nernst-Planck (PNP) equations.
matscipy.electrochemistry.poisson_nernst_planck_solver_fenics	Compute ion concentrations consistent with general Poisson-Nernst-Planck (PNP) equations via FEniCS.
matscipy.electrochemistry.steric_correction	Enforces minimum distances on coordinates within discrete distribtution.