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