Commit3 033020

#LAMMPS in.run 

units           metal

atom_style      spin

atom_modify     map array

boundary        p p p

# 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 1.0 0.0 0.0 1.0

# defines a pair/style for neighbor list, but do not use it

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 19.00000000000000000000

variable        RUN equal 1000000

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_modify      2 energy yes

fix             3 all langevin/spin ${Temperature} 0.01 12345

compute         compute_spin all spin

compute         outsp all property/atom spx spy spz sp

compute         magsz all reduce ave c_outsp[3]

thermo          50000

thermo_style    custom step time temp vol pe c_compute_spin[5] etotal  

variable        magnetic_energy equal c_compute_spin[5]

fix             avespin all ave/time 1 ${RUN} ${RUN} v_Temperature v_H v_Kan c_magsz v_magnetic_energy file average_spin

timestep        0.1

run             ${RUN}

#LAMMPS in.run 

units           metal

atom_style      spin

atom_modify     map array

boundary        f f f 

read_data	two_spins.data

pair_style      spin/exchange 3.1

pair_coeff	* * exchange 3.1 11.254 0.0 1.0

group bead      type 1  

variable        H equal 0.0

variable        Kan equal 0.0

variable        Temperature equal 0.0 

variable        RUN equal 30000

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_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          10

timestep	0.0001

run             ${RUN}