in.respa-hybrid-2-2
00c7605552cflammps-icms

in.respa-hybrid-2-2
View Options

			# 3d Lennard-Jones melt

			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 1.0
			mass 2 1.0
			region half block -0.1 4.9 0 10 0 10
			set region half type 2

			velocity all create 3.0 87287

			pair_style hybrid lj/cut 4.0 lj/cut 4.0
			pair_coeff 1 1 lj/cut 1 1.0 1.0
			pair_coeff 1 2 lj/cut 1 1.0 1.0
			pair_coeff 2 2 lj/cut 2 1.0 1.0

			neighbor 0.3 bin
			neigh_modify every 4 delay 0 check yes

			fix 1 all nve

			run_style respa 2 2 hybrid 2 1
			timestep 0.0025

			#dump id all atom 50 dump.melt

			#dump 2 all image 25 image.*.jpg type type &
			# axes yes 0.8 0.02 view 60 -30
			#dump_modify 2 pad 3

			#dump 3 all movie 25 movie.mpg type type &
			# axes yes 0.8 0.02 view 60 -30
			#dump_modify 3 pad 3

			thermo 40
			run 200