49 lines
1.4 KiB
Plaintext
49 lines
1.4 KiB
Plaintext
#LAMMPS in.run
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units metal
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atom_style spin
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# atom_style spin/kk
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atom_modify map array
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boundary p p p
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# read_data singlespin.data
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lattice sc 3.0
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region box block 0.0 1.0 0.0 1.0 0.0 1.0
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create_box 1 box
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create_atoms 1 box
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mass 1 1.0
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set type 1 spin 1.0 0.0 0.0 1.0
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# defines a pair/style for neighbor list, but do not use it
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pair_style spin/exchange 4.0
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pair_coeff * * exchange 1.0 0.0 0.0 1.0
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group bead type 1
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variable H equal 10.0
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variable Kan equal 0.0
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variable Temperature equal temperature
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variable RUN equal 1000000
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fix 1 all nve/spin lattice no
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fix 2 all precession/spin zeeman ${H} 0.0 0.0 1.0 anisotropy ${Kan} 0.0 0.0 1.0
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fix_modify 2 energy yes
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# fix 3 all langevin/spin ${Temperature} 0.01 12345
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fix 3 all langevin/spin ${Temperature} 1.0 12345
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compute compute_spin all spin
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compute outsp all property/atom spx spy spz sp
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compute magsz all reduce ave c_outsp[3]
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thermo 50000
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thermo_style custom step time temp vol pe c_compute_spin[5] etotal
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variable magnetic_energy equal c_compute_spin[5]
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fix avespin all ave/time 1 ${RUN} ${RUN} v_Temperature v_H v_Kan c_magsz v_magnetic_energy file average_spin
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timestep 0.1
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run ${RUN}
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