in.comm_modify-002
977a7a5461f7lammm-devel

in.comm_modify-002
View Options

			# Big colloid particles and small LJ particles

			timer off
			units lj
			atom_style sphere
			dimension 2

			lattice sq 0.01
			region box block 0 30 0 30 -0.5 0.5
			create_box 2 box
			create_atoms 1 box

			set group all type/fraction 2 0.96 23984

			set type 1 mass 9
			set type 2 mass 1

			velocity all create 1.44 87287 loop geom

			# multi neighbor and comm for efficiency

			neighbor 1 multi
			neigh_modify delay 0
			comm_modify mode multi cutoff/multi 1 20.0 cutoff/multi 2 9.0

			# colloid potential

			pair_style colloid 12.5
			pair_coeff 1 1 1.0 1.0 5.0 5.0 12.5
			pair_coeff 1 2 5.0 1.0 5.0 0.0 7.0
			pair_coeff 2 2 10.0 1.0 0.0 0.0 2.5

			fix 1 all npt temp 2.0 2.0 1.0 iso 0.0 1.0 10.0 drag 1.0 &
			mtk no pchain 0 tchain 1
			fix 2 all enforce2d

			#dump 1 all atom 1000 dump.colloid

			#dump 2 all image 1000 image.*.jpg type type &
			# zoom 1.5 center d 0.5 0.5 0.5
			#dump_modify 2 pad 5 adiam 1 5.0 adiam 2 1.5

			#dump 3 all movie 1000 movie.mpg type type &
			# zoom 1.5 center d 0.5 0.5 0.5
			#dump_modify 3 pad 5 adiam 1 5.0 adiam 2 1.5

			thermo_style custom step temp epair etotal press vol
			thermo 1000

			timestep 0.005
			run 0 post no
			info all
			run 5000
			comm_modify cutoff/multi * 0.0
			info comm