mirror of https://github.com/lammps/lammps.git
55 lines
1.3 KiB
Plaintext
55 lines
1.3 KiB
Plaintext
# 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 atomic
|
|
boundary f f p
|
|
|
|
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 tiled
|
|
fix 10 all balance 50 0.9 rcb
|
|
|
|
#compute 1 all property/atom proc
|
|
#variable p atom c_1%10
|
|
#dump 2 all custom 50 tmp.dump id v_p x y z
|
|
|
|
#dump 3 all image 50 image.*.jpg v_p type &
|
|
# 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
|