diff --git a/mofa/simulation/lammps.py b/mofa/simulation/lammps.py index e2aef555..cffcffaf 100644 --- a/mofa/simulation/lammps.py +++ b/mofa/simulation/lammps.py @@ -15,10 +15,6 @@ class LAMMPSRunner: Args: lammps_command: Command used to launch LAMMPS """ - lammps_command = "npt_tri" - lmp_sims_root_path = "lmp_sims" - cif_files_root_path = "cif_files" - cif_files_paths = [] def __init__(self, lammps_command: str = "npt_tri", lmp_sims_root_path: str = "lmp_sims", cif_files_root_path: str = "cif_files"): """Read cif files from input directory, make directory for lammps simulation input files