in.sio2-tabulated
58fc3e994c66lammm-devel

in.sio2-tabulated
View Options

			# test Vashishta potential for quartz

			units metal
			boundary p p p

			atom_style atomic

			read_data data.quartz

			replicate 4 4 4
			velocity all create 2000.0 277387 mom yes
			displace_atoms all move 0.05 0.9 0.4 units box

			pair_style vashishta
			pair_coeff * * SiO.1990.vashishta Si O
			pair_modify table 16

			neighbor 0.3 bin
			neigh_modify delay 10

			fix 1 all nve
			thermo 10
			timestep 0.001

			#dump 1 all cfg 10 *.cfg mass type xs ys zs vx vy vz fx fy fz
			#dump_modify 1 element Si O

			run 100