Installation =============== :code:`lammps-simulator` is available on PyPi and can be installed by .. code-block:: bash pip install lammps-simulator This is the recommended way. Another solution is to clone the GitHub repository and install from source: .. code-block:: bash git clone https://github.com/evenmn/lammps-simulator cd lammps-simulator pip install . Prerequisites ^^^^^^^^^^^^^^^ 1. Python 3.3+ (subprocess.DEVNULL from 3.3 needed) 2. `NumPy `_ 3. `LAMMPS (any recent version) `_