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

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	bond
boundary        f f p

lattice		hex 0.85
region		box block 0 $x 0 $y -0.5 0.5
create_box	1 box bond/types 1 extra/bond/per/atom 6
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

bond_style      harmonic
bond_coeff      1 10.0 1.2

# need to preserve 1-3, 1-4 pairwise interactions during hard collisions

special_bonds   lj/coul 0 1 1
create_bonds    all all 1 1.0 1.5

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      tiled
comm_modify     cutoff 10.0   # because bonds stretch a long ways
fix             10 all balance 50 0.9 rcb

#compute         1 all property/atom proc
#variable        p atom (c_1%10)+1
#dump            2 all custom 50 tmp.dump id v_p x y z

#dump            3 all image 50 image.*.jpg v_p type bond atom 0.25 &
#                adiam 1.0 view 0 0 zoom 1.8 subbox yes 0.02
#variable        colors string &
#                "red green blue yellow white &
#                purple pink orange lime gray"
#dump_modify     3 pad 5 amap 0 10 sa 1 10 ${colors}

thermo_style    custom step temp epair press f_10[3] f_10
thermo          100                

run		10000
