From 37741540eb0f3b11747278ad8e03fc9d5c309592 Mon Sep 17 00:00:00 2001 From: doublylinkedlist Date: Wed, 4 Oct 2023 08:49:42 -0500 Subject: [PATCH] Update lammps.py --- mofa/simulation/lammps.py | 4 ---- 1 file changed, 4 deletions(-) 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