Commit JT 010318 (before APS)

examples/SPIN/cobalt_fcc/in.spin.cobalt_fcc

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+# fcc cobalt in a 3d periodic box
+
+clear 
+units metal
+atom_style spin
+
+dimension 3
+boundary p p p
+
+# check why?
+atom_modify map array 
+
+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
+
+# setting mass, mag. moments, and interactions for cobalt
+
+mass		1 58.93
+
+set group all spin/random 31 1.72
+velocity all create 100 4928459 rot yes dist gaussian
+
+pair_style hybrid/overlay eam/alloy pair/spin/exchange 4.0
+pair_coeff * * eam/alloy ../examples/SPIN/cobalt_fcc/Co_PurjaPun_2012.eam.alloy Co
+pair_coeff * * pair/spin/exchange exchange 4.0 0.0446928 0.003496 1.4885 
+
+neighbor 0.1 bin
+neigh_modify every 10 check yes delay 20
+
+fix 1 all force/spin zeeman 0.01 0.0 0.0 1.0
+fix 2 all langevin/spin 0.0 0.0 21
+
+fix 3 all integration/spin lattice yes
+
+timestep	0.0001
+
+
+compute out_mag    all compute/spin
+compute out_pe     all pe
+compute out_ke     all ke
+compute out_temp   all temp
+
+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]
+variable mag_force equal f_1
+
+thermo_style    custom step time v_magnorm v_emag temp etotal
+thermo          10
+
+#dump 1 all custom 50 dump_cobalt.lammpstrj type x y z spx spy spz
+
+run 500
+