Installation

Requirements

PyCharge and its required dependencies can be installed using pip:

pip install pycharge

To install PyCharge in development mode, clone the GitHub repository and install with pip using the editable option:

git clone https://github.com/MatthewFilipovich/pycharge
pip install -e ./pycharge

MPI Implementation

PyCharge supports the ability to perform parallel computations across multiple processes using the run_mpi method from the Simulation class (see API Reference). PyCharge uses the python package mpi4py to provide bindings of the MPI standard for use in Python.

To use the MPI functionality in PyCharge, a working MPI implementation must be installed. A Linux installation guide for MPI implementations can be found here, and a Windows MPI implementation developed by Microsoft can be downloaded here.

Once an MPI implementation is installed, the dependent Python package can be installed using pip:

pip install mpi4py