# compute stress/cartesian for a flat liquid-vapor interface

units           lj
atom_style      atomic
processors      * * 1

lattice         fcc 0.8442
region          box block 0 10 0 10 0 30
region    liquid block 0 10 0 10 10 20
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 0.7 0.7 0.2

#dump           id all atom 50 dump.flat

#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 NULL NULL 15 units lattice
compute p1 all stress/cartesian z 0.5 NULL 0
fix 3 all ave/time 100 1 100 c_p1[*] file flat.out mode vector

thermo          50
thermo_style custom step temp epair emol etotal press c_p1[50][3] c_p1[50][4] c_p1[50][5] c_p1[50][6] c_p1[50][7] c_p1[50][8]

run             1000