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dimension 3
boundary p p p
atom_style ellipsoid
variable L equal 20
region total block -$L $L -$L $L -$L $L
lattice sc 0.1
create_box 2 total
create_atoms 1 box
# Set random fraction to passive:
set type 1 type/fraction 2 0.5 1337
# Purely repulsive particles:
variable rc equal "2^(1.0/6.0)"
pair_style lj/cut ${rc}
pair_coeff * * 1.0 1.0
pair_modify shift yes
# mass * 1.0
set type * shape 1.0 1.0 1.0
set type * density 1.9098593171027443
set type * quat 0 0 1 0
fix step all nve/asphere
fix temp all langevin 1.0 1.0 1.0 13 angmom 3.333333333
neighbor 0.6 bin
dump traj all custom 100 3d_active.dump.bin id type x y z fx fy fz
thermo_style custom step pe ke etotal temp
thermo 100
run 500
fix active all propel/self quat 1.0
# With active force there is more motion so increase bin size:
neighbor 1.0 bin
run 500
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