Delete in.co_magnetomech

examples/SPIN/in.co_magnetomech

@@ -1,119 +0,0 @@
-###################
-#######Init########
-###################
-
-clear 
-units metal
-dimension 3
-boundary p p p 
-#boundary f f f
-
-#newton off
-
-#setting atom_style to spin:
-atom_style spin
-
-#Define sort for paramagnetic simulations (if no pair interaction)
-#atom_modify sort 1000 4.0
-
-atom_modify map array 
-
-###########################
-#######Create atoms########
-###########################
-
-lattice fcc 3.54
-region box block 0.0 5.0 0.0 5.0 0.0 5.0
-create_box 1 box
-create_atoms 1 box
-
-#######################
-#######Settings########
-#######################
-
-#isolating 1 atom into a group
-group single_spin id 10
-
-#Setting one or more properties of one or more atoms.
-mass		1 58.93
-
-#Setting spins orientation and moment 
-set group all spin/random 31 1.72
-#set group all spin 1.72 0.0 0.0 1.0 
-#set group single_spin spin/random 11 1.72
-
-velocity all create 200 4928459 rot yes dist gaussian
-
-#Magneto-mechanic interactions for bulk fcc Cobalt
-#pair_style pair/spin/exchange 4.0
-#pair_style eam/alloy
-#pair_style hybrid/overlay eam/alloy pair/spin/exchange 4.0 pair/spin/soc/neel 4.0
-pair_style hybrid/overlay eam/alloy pair/spin/exchange 4.0
-
-pair_coeff * * eam/alloy ../examples/SPIN/Co_PurjaPun_2012.eam.alloy Co
-#pair_coeff * * ../Co_PurjaPun_2012.eam.alloy Co
-
-#pair_style pair/spin 4.0
-#type i and j | interaction type | cutoff | J1 (eV) | J2 (adim) | J3 (Ang) (for Exchange)
-#pair_coeff * * exchange 4.0 -0.0446928 0.003496 1.4885 
-#pair_coeff * * exchange 4.0 0.0 0.003496 1.4885 
-pair_coeff * * pair/spin/exchange exchange 4.0 -0.0446928 0.003496 1.4885 
-
-#type i and j | interaction type | cutoff | Int (eV) | [dx,dy,dz] (for DMI and ME)
-#pair_coeff * * dmi 2.6 0.001 0.0 0.0 1.0
-#pair_coeff * * me 2.6 0.01 1.0 1.0 1.0
-
-#type i and j | interaction type | cutoff | K1 (eV) | K2 (adim) | K3 (Ang) (for SOC)
-#pair_coeff * * pair/spin/soc/neel neel 4.0 -0.003330282 0.864159 2.13731 
-
-#Define a skin distance, update neigh list every 
-#neighbor 1.0 bin
-#neigh_modify every 10 check yes delay 20
-neighbor 1.0 bin
-neigh_modify every 1 check no delay 0 
-
-#Magnetic field fix
-#Type | Intensity (T or eV) | Direction
-fix 1 all force/spin zeeman 0.0 0.0 0.0 1.0
-#fix 1 all force/spin anisotropy 0.01 0.0 0.0 1.0
-
-#Fix Langevin spins (merging damping and temperature)
-#Temp | Alpha_trans | Alpha_long | Seed
-#fix 2 all langevin/spin 0.0 0.1 0.0 21
-fix 2 all langevin/spin 0.0 0.0 0.0 21
-
-#Magnetic integration fix
-fix 3 all integration/spin mpi
-
-#compute real time, total magnetization, magnetic energy, and spin temperature
-#Iteration | Time | Mx | My | Mz | |M| | Em | Tm
-
-#Setting the timestep for the simulation (in ps)
-timestep	0.0001
-
-##################
-#######run########
-##################
-
-compute out_mag    all compute/spin
-compute out_pe     all pe
-compute out_ke     all ke
-compute out_temp   all temp
-
-variable magnorm   equal c_out_mag[5]
-variable emag      equal c_out_mag[6]
-variable tmag      equal c_out_mag[7]
-variable mag_force equal f_1
-
-thermo          10
-#thermo_style    custom step time v_emag c_out_pe c_out_ke c_out_temp v_mag_force v_magnorm v_tmag etotal
-thermo_style    custom step time v_magnorm etotal
-thermo_modify   format float %20.15g
-
-#Dump the positions and spin directions of magnetic particles (vmd format)
-dump 1 all custom 500 dump_VSRSV.lammpstrj type x y z spx spy spz
-
-#Running the simulations for N timesteps
-#run 100
-run 10000
-