lammps/examples/USER/quip/in.sw

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# Test of SW potential for Si system
units metal
boundary p p p
atom_style atomic
read_data data_sw
pair_style quip
pair_coeff * * sw_example.xml "IP SW" 14
neighbor 0.3 bin
neigh_modify delay 10
fix 1 all nve
thermo 10
timestep 0.001
dump 1 all custom 10 dump.sw id fx fy fz
dump_modify 1 format "%d %20.15g %20.15g %20.15g"
run 1