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

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