TiO2.in : LAMMPS NEMD input script (with Buckingham coefficients inline) 50_10_Full.data : Example nanotube structure file in LAMMPS format nanotube builder/ : MATLAB nanotube builder scripts How to ...
#%% This will later be the body of the script. parser = argparse.ArgumentParser(description=' Reads in a lammps data file and performs various manipulations.') parser.add_argument('-lammps', ...
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