in.balance.var.dynamic
493873fb933dlammm-devel

in.balance.var.dynamic
View Options

			# 3d Lennard-Jones melt

			units lj
			atom_style atomic
			processors * 1 1

			lattice fcc 0.8442
			region box block 0 10 0 10 0 10
			create_box 3 box
			create_atoms 1 box
			mass * 1.0

			region long block 3 6 0 10 0 10
			set region long type 2

			velocity all create 1.0 87287

			pair_style lj/cut 2.5
			pair_coeff * * 1.0 1.0 2.5
			pair_coeff * 2 1.0 1.0 5.0

			neighbor 0.3 bin
			neigh_modify every 2 delay 4 check yes
			fix p all property/atom d_WEIGHT
			compute p all property/atom d_WEIGHT

			group fast type 1
			group slow type 2
			balance 1.0 shift x 10 1.0 &
			weight group 2 fast 0.8 slow 2.5 weight store WEIGHT
			variable lastweight atom c_p

			fix 0 all balance 50 1.0 shift x 10 1.0 &
			weight var lastweight weight time 0.5 weight store WEIGHT
			variable maximb equal f_0[1]
			variable iter equal f_0[2]
			variable prev equal f_0[3]
			variable final equal f_0

			#fix 3 all print 50 "${iter} ${prev} ${final} ${maximb}"

			fix 1 all nve

			#dump id all atom 50 dump.melt
			#dump id all custom 50 dump.lammpstrj id type x y z c_p

			#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 50
			run 500
			run 500

			balance 1.0 shift x 10 1.0 &
			weight group 2 fast 0.8 slow 2.5 weight store WEIGHT

			fix 0 all balance 50 1.0 shift x 5 1.0 &
			weight var lastweight weight neigh 0.5 weight store WEIGHT

			run 500
			run 500