in.respa-202
3c2bebd4ac44lammm-master-deprecated

in.respa-202
View Options

			# 3d Lennard-Jones melt
			timer off
			units lj
			atom_style atomic

			lattice fcc 0.8442
			region box block 0 10 0 10 0 10
			create_box 2 box
			create_atoms 1 box
			mass * 1.0

			#velocity all create 3.0 87287

			pair_style zero 1.0
			pair_coeff * *

			neighbor 0.3 bin
			neigh_modify every 2 delay 0 check no

			fix 1 all nve

			region left block 0 10 0 4.9 0 10
			region right block 0 10 4.9 10.0 0 10
			group left region left
			group right region right
			set group right type 2

			fix fl left setforce 0.0 0.5 0.0
			fix fr right setforce 0.0 -0.5 0.0

			run_style respa 2 2 pair 2
			fix_modify fl respa 0
			fix_modify fr respa 1


			thermo 50
			info all
			run 200