in.processors-001
59efd6cb7812lammm-devel

in.processors-001
View Options

			# 2d circle of particles inside a box with LJ walls

			timers off
			variable b index 0

			variable x index 50
			variable y index 20
			variable d index 20
			variable v index 5
			variable w index 2

			units lj
			dimension 2
			atom_style atomic
			boundary f f p
			processors * * 1

			lattice hex 0.85
			region box block 0 $x 0 $y -0.5 0.5
			create_box 1 box
			region circle sphere $(v_d/2+1) $(v_d/2/sqrt(3.0)+1) 0.0 $(v_d/2)
			create_atoms 1 region circle
			mass 1 1.0

			velocity all create 0.5 87287 loop geom
			velocity all set $v $w 0 sum yes

			pair_style lj/cut 2.5
			pair_coeff 1 1 10.0 1.0 2.5

			neighbor 0.3 bin
			neigh_modify delay 0 every 1 check yes

			fix 1 all nve

			fix 2 all wall/lj93 xlo 0.0 1 1 2.5 xhi $x 1 1 2.5
			fix 3 all wall/lj93 ylo 0.0 1 1 2.5 yhi $y 1 1 2.5

			comm_style brick

			thermo_style custom step temp epair
			thermo 100

			info all
			run 1000