#Test atom_style full neigh_modify every 1 delay 0 check yes #cluster yes units real read_data post.data #comm_modify cutoff 25 bond_style harmonic bond_coeff 1 3 4.3 angle_style zero angle_coeff * 1 pair_style lj/cut 10 pair_coeff * * 0.6 4.5 compute 1 all property/local btype batom1 batom2 compute 2 all bond/local dist eng compute bondmaxlength all reduce max c_2[1] compute bondtotal all reduce sum c_2[2] thermo_style custom step pe ebond c_bondtotal c_bondmaxlength thermo 1 #dump 2 all local 1 tmp.dump index c_1[1] c_1[2] c_1[3] c_2[1] c_2[2] #dump 1 all custom 1 dump.all.nve-initial.lammpstrj id mol type x y z fix 1 all nve timestep 1.0 run 4 post no