Soft Potato

Soft Potato is an open-source electrochemical simulation and analysis toolkit in Python.

Full documentation: https://softpotato.readthedocs.io | Roadmap: ROADMAP.md | Changelog: CHANGELOG.md

Installation

Stable Release (v3.1.1)

Soft Potato v3.1.1 is available on PyPI and can be installed via pip:

pip install softpotato

Development Version (Milestone 2 in progress)

To install the latest development version directly from GitHub:

pip install git+https://github.com/oliverrdz/softpotato.git

Or clone the repository and install in development mode:

git clone https://github.com/oliverrdz/softpotato.git
cd softpotato
pip install -e ".[dev,docs]"

Quick Start: Solving 1D Diffusion with scipy_ivp

Soft Potato makes it straightforward to simulate chemical diffusion:

$$\frac{\partial c}{\partial t} = D \frac{\partial^2 c}{\partial x^2}$$

Here is a minimal example setting boundary conditions to $0$ at the left boundary ($x=0$) and $1.0$ at the right boundary ($x=1.0$):

import numpy as np
from softpotato.solver import DiffusionProblem, DirichletBC, get_solver

# 1. Define grid and diffusion problem (c = 0 at left, c = 1.0 at right)
grid = np.linspace(0.0, 1.0, 50)
problem = DiffusionProblem(
    grid=grid,
    diffusivity={"c": 1e-4},
    boundary_conditions={"c": (DirichletBC(0.0), DirichletBC(1.0))},
    initial_conditions={"c": 1.0},
)

# 2. Solve using SciPy's Method of Lines solver
solver = get_solver("scipy_ivp")
result = solver.solve(problem, t_span=(0.0, 1.0))

# 3. Save the concentration profile to a variable
c_profile = result["c"]  # 2D array of shape (N_times, N_points)
c_flux = result.fluxes["c"]  # The current can be calculated with i = n*F*A*c_flux

Analytical Equations & Benchmarking (softpotato.analytical)

Soft Potato provides exact closed-form analytical solutions and empirical models for benchmarking numerical solvers and rapid parameter estimation:

import numpy as np
import softpotato as sp

# 1. Planar Cottrell chronoamperometry current transient
t = np.linspace(0.1, 5.0, 50)
i_transient = sp.cottrell(t, n=1, D=1e-5, c_bulk=1e-3, area=1e-4)

# 2. Spherical electrode transient and steady-state limiting current
i_sphere = sp.cottrell_spherical(t, r=1e-5, n=1, D=1e-5, c_bulk=1e-3)

Development Roadmap & Milestones

Soft Potato follows a staged milestone development roadmap for the 3.x series, maintaining strict backwards compatibility across releases:

For detailed architectural plans and deliverable specifications, see the full Roadmap.

License

This project is licensed under the BSD 3-Clause License - see the LICENSE file for details.