lammps/examples/airebo/in.rebo2

# REBO polyethelene benchmark

units		    metal
atom_style	    atomic

read_data	    data.airebo

replicate	    17 16 2

neighbor	    0.5 bin
neigh_modify	    delay 5 every 1

pair_style	    rebo
pair_coeff	    * * CH.rebo C H

velocity	    all create 300.0 761341

fix		    1 all nve
timestep	    0.0005

thermo		    10
run		    100
update reference date and examples for changes in REBO 2019-05-05 08:42:36 +08:00			`# REBO polyethelene benchmark`
update AIREBO/REBO examples and provide references for rebo and airebo with LJ and TORSION turned off 2018-11-21 02:48:49 +08:00
			`units metal`
			`atom_style atomic`

			`read_data data.airebo`

			`replicate 17 16 2`

			`neighbor 0.5 bin`
			`neigh_modify delay 5 every 1`

			`pair_style rebo`
update reference date and examples for changes in REBO 2019-05-05 08:42:36 +08:00			`pair_coeff * * CH.rebo C H`
update AIREBO/REBO examples and provide references for rebo and airebo with LJ and TORSION turned off 2018-11-21 02:48:49 +08:00
			`velocity all create 300.0 761341`

			`fix 1 all nve`
			`timestep 0.0005`

			`thermo 10`
			`run 100`