lammps/examples/reax/RDX/in.RDX

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# REAX potential for high energy CHON systems
# .....
units real
atom_style charge
read_data data.RDX
pair_style reax/c lmp_control
pair_coeff * * ffield.reax.rdx H C O N
neighbor 2 bin
neigh_modify every 10 delay 0 check no
fix 1 all nve
fix 2 all qeq/reax 1 0.0 10.0 1e-6 param.qeq
fix 3 all temp/berendsen 500.0 500.0 100.0
timestep 0.25
dump 1 all atom 30 dump.reax.rdx
run 3000