in.sds-gpu
4d6eaa7c83felammm-master

in.sds-gpu
View Options

			# lammps input script

			units real
			dimension 3
			atom_style full
			processors * * 1
			newton off

			read_data DATA.FILE
			include PARM.FILE-gpu

			replicate 8 8 1

			kspace_style pppm/cg 0.00001
			kspace_modify order 3

			neighbor 2.0 bin
			neigh_modify delay 4 every 2 check yes

			timestep 10.0

			fix 0 all gpu force/neigh 0 1 1
			fix 1 all nvt temp 310.0 310.0 100.0 drag 0.1

			thermo_style custom step pe temp evdwl ecoul spcpu
			thermo 500

			velocity all create 325.0 63443

			run 10000