# 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.
#
#
dimension       2
units		si
atom_style	meso
boundary        f p p

lattice		sq 0.01
region		box block 0 100 0 10 0 0.1 
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 0.1 # 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

compute         ie_atom all meso/e/atom
compute         ie all reduce sum c_ie_atom

thermo		10
thermo_style    custom step temp c_ie
timestep        0.25e-1
neighbor	0.2e-2 bin
fix             integrate_fix all meso/stationary

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
undump          dump_fix

dump		dump_fix all custom 10 dump.last.xs id type xs ys zs c_ie_atom
dump_modify     dump_fix first yes
run             0
undump          dump_fix
