# compute stress/spherical for a spherical droplet

units           lj
atom_style      atomic

lattice         fcc 0.8442
region          box block -10 10 -10 10 -10 10
region    liquid sphere 0 0 0 5
create_box      1 box
create_atoms    1 region liquid
mass            1 1.0

velocity        all create 0.65 87287 loop geom

pair_style      lj/cut 2.5
pair_coeff      1 1 1.0 1.0 2.5

neighbor        0.3 bin
neigh_modify    every 20 delay 0 check no

fix             1 all nvt temp 0.65 0.65 0.2

#dump           id all atom 50 dump.sphere

#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

fix 2 all recenter 0 0 0 units lattice
compute p all stress/spherical 0 0 0 0.25 15
fix 3 all ave/time 100 1 100 c_p[*] file sphere.out mode vector

thermo          50
thermo_style custom step temp epair emol etotal press c_p[15][3] c_p[15][4] c_p[15][5] c_p[15][6] c_p[15][7] c_p[15][8]

run             1000