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woldeaman/numerical_PBE_solver

Numerical solver for the modified Poisson-Boltzmann equation.

Numerical Solver for the Modified Poisson-Boltzman Equation

A powerful solver based on succesive over-relaxation for the one dimensional modified Poisson–Boltzmann equation, which includes a dielectric response profile, unequal ionic valencies, surface interactions via potentials of mean force and the presence of impurities. The modified PBE is solved in the form of:

PBE

Installation

Prerequisites

You'll need Python3 with the numba package installed.

Linux/MacOS

python3 setup.py install

Languages

Python100.0%

Contributors

Created June 17, 2021
Updated April 12, 2025