50 lines
1.3 KiB
Plaintext
50 lines
1.3 KiB
Plaintext
#LAMMPS in.run
|
|
|
|
units metal
|
|
atom_style spin
|
|
# atom_style spin/kk
|
|
atom_modify map array
|
|
boundary f f f
|
|
|
|
# read_data singlespin.data
|
|
|
|
lattice sc 3.0
|
|
region box block 0.0 1.0 0.0 1.0 0.0 1.0
|
|
create_box 1 box
|
|
create_atoms 1 box
|
|
|
|
mass 1 1.0
|
|
set type 1 spin 2.0 1.0 0.0 0.0
|
|
|
|
pair_style spin/exchange 4.0
|
|
pair_coeff * * exchange 1.0 0.0 0.0 1.0
|
|
|
|
group bead type 1
|
|
|
|
variable H equal 10.0
|
|
variable Kan equal 0.0
|
|
variable Temperature equal 0.0
|
|
variable Nsteps equal 500000
|
|
|
|
fix 1 all nve/spin lattice no
|
|
# fix 2 all precession/spin zeeman ${H} 0.0 0.0 1.0 anisotropy ${Kan} 0.0 0.0 1.0
|
|
fix 2 all precession/spin zeeman ${H} 0.0 0.0 1.0 anisotropy ${Kan} 0.0 0.0 1.0
|
|
fix_modify 2 energy yes
|
|
fix 3 all langevin/spin ${Temperature} 0.01 12345
|
|
|
|
compute out_mag all spin
|
|
compute out_pe all pe
|
|
|
|
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]
|
|
|
|
thermo_style custom step time v_magx v_magy v_magz v_emag pe etotal
|
|
thermo 100
|
|
|
|
timestep 0.0001
|
|
|
|
run ${Nsteps}
|