units lj dimension 3 boundary f f f atom_style bpm/sphere special_bonds lj 0.0 1.0 1.0 coul 0.0 1.0 1.0 newton on off comm_modify vel yes cutoff 2.6 lattice fcc 1.0 region box block -25 15 -22 22 -22 22 create_box 1 box bond/types 2 extra/bond/per/atom 20 extra/special/per/atom 50 region disk cylinder x 0.0 0.0 20.0 -0.5 0.5 create_atoms 1 region disk group plate region disk region ball sphere 8.0 0.0 0.0 6.0 create_atoms 1 region ball group projectile region ball displace_atoms all random 0.1 0.1 0.1 134598738 neighbor 1.0 bin pair_style gran/hooke/history 1.0 NULL 0.5 NULL 0.1 1 pair_coeff 1 1 fix 1 all nve/bpm/sphere create_bonds many plate plate 1 0.0 1.5 create_bonds many projectile projectile 2 0.0 1.5 neighbor 0.3 bin special_bonds lj 0.0 1.0 1.0 coul 1.0 1.0 1.0 bond_style bpm/rotational store/local brkbond 100 time id1 id2 bond_coeff 1 1.0 0.2 0.02 0.02 0.05 0.01 0.01 0.01 0.1 0.2 0.002 0.002 bond_coeff 2 1.0 0.2 0.02 0.02 0.20 0.04 0.04 0.04 0.1 0.2 0.002 0.002 velocity projectile set -0.05 0.0 0.0 compute nbond all nbond/atom compute tbond all reduce sum c_nbond timestep 0.05 thermo_style custom step ke pe pxx pyy pzz c_tbond thermo 100 thermo_modify lost ignore lost/bond ignore #dump 1 all custom 100 atomDump id radius x y z c_nbond dump 2 all local 100 brokenDump f_brkbond[1] f_brkbond[2] f_brkbond[3] dump_modify 2 header no run 7500