# mesoscopic heat conduction
# heat flow from hot right region to cold left region
# compare the temperature profile at the end opf the simulation,
# contained in file dump.last, to analytic solution.
#
#
units		si
atom_style	meso
newton          on
boundary        f p p

lattice		sc 0.01
region		box block 0 100 0 10 0 10 
create_box	1 box
create_atoms	1 box
mass            1 1.0e-5

region          left  block EDGE 49.9  EDGE EDGE EDGE EDGE
region          right block 50 EDGE EDGE EDGE EDGE EDGE
set             region left  meso_e 1.0 # internal energies
set             region right meso_e 2.0
set             group all meso_rho 10.0 # mesoscopic density is also needed for this pair style
#               For correct temperature profiles, mescoscopic density and mass * number density must coincide!

pair_style      sph/heatconduction
#               i j diffusion coeff. cutoff
pair_coeff      1 1 1.0e-4           2.0e-2
neighbor	0.2e-2 bin
neigh_modify	every 20 delay 0 check no

compute         ie_atom all meso_e/atom
compute         ie all reduce sum c_ie_atom

thermo_style    custom step temp c_ie
thermo_modify   norm no

fix             integrate_fix all meso/stationary

thermo		10
timestep        0.25e-1

dump		dump_fix all custom 10 dump.heat id type x y z c_ie_atom
dump_modify     dump_fix first yes
run             160
undump          dump_fix

dump		dump_fix all custom 10 dump.last id type x y z c_ie_atom
dump_modify     dump_fix first yes
run             0
