simulation_name  reaxff_CHO  ! output files will carry this name + their specific ext

tabulate_long_range  10000  ! denotes the granularity of long range tabulation, 0 means no tabulation

energy_update_freq  0  ! frequency to write partial energies to file (0: disable writing)

nbrhood_cutoff     4.5  ! near neighbors cutoff for bond calculations in A
hbond_cutoff       6.0  ! cutoff distance for hydrogen bond interactions
bond_graph_cutoff  0.3  ! bond strength cutoff for bond graphs
thb_cutoff       0.001  ! cutoff value for three body interactions

write_freq           0  ! frequency to write trajectory to file (0: disable writing)
traj_title  reaxff_CHO  ! (no white spaces)
atom_info            1  ! 0: no atom info, 1: print basic atom info in the trajectory file
atom_forces          1  ! 0: basic atom format, 1: print force on each atom in the trajectory file
atom_velocities      0  ! 0: basic atom format, 1: print the velocity of each atom in the trajectory file
bond_info            1  ! 0: do not print bonds, 1: print bonds in the trajectory file
angle_info           1  ! 0: do not print angles, 1: print angles in the trajectory file