Command files

t1_infile_1

FileSpec(label=’t1_infile_1’, name=FileNameSpec(t1_infile_1.txt))

t1_infile_2

FileSpec(label=’t1_infile_2’, name=FileNameSpec(t1_infile_2.txt))

t1_outfile_1

FileSpec(label=’t1_outfile_1’, name=FileNameSpec(outfile.txt))

lammps_atoms_file

FileSpec(label=’lammps_atoms_file’, name=FileNameSpec(atoms.lammps))

lammps_input_script

FileSpec(label=’lammps_input_script’, name=FileNameSpec(in.lammps))

lammps_dump_files

FileSpec(label=’lammps_dump_files’, name=FileNameSpec((dump.d+.txt)))