# 2D simulation of polarized nano particles under browninan effects, shear and an external field dimension 2 boundary p p p atom_style hybrid dipole sphere # create geometry read_data data.txt set group all dipole 0.0 10.0 0.0 mass 1 1.0 set group all mass 1.0 # initial velocities velocity all create 1.0 87878 mom no rot yes # pair-wise potential pair_style lj/cut/dipole/cut 10.0 pair_coeff * * 100.0 1.78 2.0 10.0 neighbor 0.3 bin a neigh_modify delay 0 # external field fix 1 all efield 0.0 1000.0 0.0 # applying shear strain fix 2 all deform 1 xy erate 0.0005588 remap v # brownian effects fix 3 all langevin 1.0 1.0 0.0006986 98989 omega yes #Potential energy compute 1 all pe variable p equal c_1 # time integration fix 4 all nve/sphere update dipole # ensuring 2D simulation fix 5 all enforce2d # Run timestep 0.000314373 thermo 10000 dump 1 all custom 10000 position.txt id x y z mux muy muz dump 2 all xyz 10000 dump.dat fix 6 all print 10000 "$p" file Potential.txt run 3000000