Variables ========= LAMMPS variables can easily be assigned to the input scripts as :code:`set_input_script` variables: .. code-block:: python sim.set_input_script("script.in", var1=v1, var2=v2, ..., varN=vN) Or one can store the variables in a dictionary and unpack it when calling the function: .. code-block:: python lmp_vars = {'var1': v1, 'var2': v2, ... 'varN': vN} sim.set_input_script("script.in", **lmp_vars) Variables might also be lists (index variables in LAMMPS terms): .. code-block:: python sim.set_input_script("script.in", var=[1, 2, 3])