in.comb
f3404420e445lammm-master-deprecated

in.comb
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			# SiO2 for COMB potential

			units metal
			atom_style charge

			read_data data.comb

			mass 1 28.0855
			group type1 type 1
			compute charge1 type1 property/atom q
			compute q1 type1 reduce ave c_charge1
			mass 2 16.00
			group type2 type 2
			compute charge2 type2 property/atom q
			compute q2 type2 reduce ave c_charge2

			pair_style comb
			pair_coeff * * ffield.comb Si O
			neighbor 0.5 bin
			neigh_modify every 10 delay 0 check yes

			timestep 0.0002

			thermo_style custom step temp etotal pe evdwl ecoul c_q1 c_q2 press vol
			thermo_modify norm yes
			velocity all create 300.0 3482028
			fix 1 all nvt temp 300.0 300.0 0.1
			fix 2 all qeq/comb 10 0.001 file fq.out

			thermo 10
			run 100