ecsim

Fast and general simulation of electrode processes coupled to homogeneous reactions

This is the C++ source code (/source) of the algorithm used on limhes.net/ecsim, which should also be consulted for a description of the simulator's functionality and inner workings.

how to use

• C++ / commandline: A full working example of a cyclic voltammetry simulation illustrating all functionality is given in /cpp-commandline/main.cpp.
• C++ / Qt GUI: A Qt5 GUI application can be found in /cpp-qt5gui/ which can be built using qmake QESP and then make. This version uses a slightly different source code (e.g. some classes inherit QObject to make use of signal/slot) and this application should thus be viewed as an entity separate from the main code base in /source.
• JavaScript: An interface to WebAssembly is implemented in /webassembly/main.cpp and can be compiled with the included installer script.
• Python: A Python module (using pybind11) can be found in /python/.

dependencies

Dependencies (with example Arch Linux installation commands) are given below:

1. Eigen version 3 (sudo pacman -S eigen)
2. Optional (for the Qt5 version): Qt5 (sudo pacman -S qt5-base qt5-tools)
3. Optional (for compilation to WebAssembly): emscripten (sudo pacman -S emscripten)

CI/CD Workflows

The code in this repository is built automatically using GitHub Actions workflows. On every pull-request or commit(s) to the main branch a build workflow is triggered to run the Python tests.

On every git tag created (and pushed to the remote repository) a release workflow is triggered to create a new release.

git tag -m "my-version"
git push --tags 

The release workflow will first build both Linux and Windows artifacts, and then will collect those artifacts in a GitHub release on this repository.

The building process for Linux leverages a docker image that contains multiple python versions. The build itself is described in the Dockerfile committed to the repository.

The building process for Windows leverages GitHub Actions matrix strategy to create different build jobs for each version of Python that the artefacts are built against.