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# 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
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