# Test case / example for fix electron/stopping
# One fast atom, no other interactions.
# Stopping only applied in a smaller box in the middle.
#
# Also uses fix dt/reset, as one should when energies are high
# enough to require electronic stopping.

units metal
boundary p p p
timestep 0.0001

lattice fcc 1

region rbox block -100 100 -100 100 -100 100
region rsmallbox block -90 90 -90 90 -90 90

create_box 1 rbox

mass 1 28.0855

create_atoms 1 single 0 0 0
velocity all set 1120 1620 389

pair_style zero 1
pair_coeff * * 1

fix fdt all dt/reset 1 NULL 0.001 0.1 emax 20.0
fix fel all electron/stopping 1.0 Si.Si.elstop minneigh 0 region rsmallbox
fix fnve all nve

compute ek all ke/atom
compute ektot all reduce sum c_ek

thermo 100
thermo_style custom step time dt f_fel c_ektot

#dump mydump all custom 200 elstop.only.dump id x y z vx vy vz fx fy fz c_ek

run 10000