units metal dimension 3 boundary f f f atom_style spin # necessary for the serial algorithm (sametag) atom_modify map array lattice sc 3.0 region box block 0.0 10.0 0.0 10.0 0.0 4.0 create_box 2 box region reg1 block 0.0 10.0 0.0 5.0 0.0 1.0 region reg2 block 0.0 10.0 6.0 10.0 0.0 1.0 create_atoms 1 region reg1 create_atoms 2 region reg2 # setting mass, mag. moments, and interactions for bcc iron mass 1 55.845 mass 2 55.845 set region reg1 spin 2.2 0.0 0.0 1.0 set region reg2 spin/random 31 2.2 group fixed_spin region reg1 pair_style hybrid/overlay spin/exchange 3.1 spin/dmi 3.1 pair_coeff * * spin/exchange exchange 3.1 -0.01593 0.06626915552 1.211 pair_coeff * * spin/dmi dmi 3.1 0.12e-03 0.0 0.0 1.0 neighbor 0.1 bin neigh_modify every 10 check yes delay 20 fix 1 all precession/spin zeeman 0.0 0.0 0.0 1.0 anisotropy 5e-05 0.0 0.0 1.0 fix_modify 1 energy yes fix 2 fixed_spin setforce/spin 0.0 0.0 0.0 fix 3 all langevin/spin 0.0 0.1 21 fix 4 all nve/spin lattice frozen timestep 0.0001 compute out_mag all spin variable magx equal c_out_mag[1] variable magy equal c_out_mag[2] variable magz equal c_out_mag[3] variable magnorm equal c_out_mag[4] variable emag equal c_out_mag[5] variable tmag equal c_out_mag[6] thermo 100 thermo_style custom step time v_magx v_magz v_magnorm v_tmag pe v_emag etotal thermo_modify format float %20.15g compute outsp all property/atom spx spy spz sp fmx fmy fmz dump 1 all custom 100 dump.lammpstrj type x y z c_outsp[1] c_outsp[2] c_outsp[3] c_outsp[5] c_outsp[6] c_outsp[7] min_style spin min_modify alpha_damp 1.0 discrete_factor 20.0 minimize 1.0e-16 1.0e-16 1000 100