in.ch4.spe
ae926d0adea3lammps-icms

in.ch4.spe
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			variable sname index ch4
			log ${sname}.spe.log

			units electron
			newton on
			boundary f f f

			atom_style hybrid charge electron

			read_data data.${sname}

			pair_style eff/cut 10000.0
			pair_coeff * *

			communicate single vel yes

			thermo 1
			thermo_style multi

			run 0