diff --git a/examples/SPIN/Norm_randXY_8x8x32.data b/examples/SPIN/Norm_randXY_8x8x32.data
new file mode 100644
index 0000000000..d239bb6ca0
--- /dev/null
+++ b/examples/SPIN/Norm_randXY_8x8x32.data
@@ -0,0 +1,8207 @@
+LAMMPS data file via write_data, version 4 May 2017, timestep = 0
+
+8192 atoms
+1 atom types
+
+0.0000000000000000e+00 2.8320000000000000e+01 xlo xhi
+0.0000000000000000e+00 2.8320000000000000e+01 ylo yhi
+0.0000000000000000e+00 1.1328000000000000e+02 zlo zhi
+
+Masses
+
+1 58.93
+
+Atoms # spin
+
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+2 1 1.72 1.77 1.77 0.0 -0.745115 -0.666936 1.0
+3 1 1.72 1.77 0.0 1.77 -0.989437 -0.144964 1.0
+4 1 1.72 0.0 1.77 1.77 0.999926 -0.0121449 1.0
+5 1 1.72 3.54 0.0 0.0 0.377063 -0.926188 1.0
+6 1 1.72 5.31 1.77 0.0 0.412944 0.910756 1.0
+7 1 1.72 5.31 0.0 1.77 -0.999979 0.00650985 1.0
+8 1 1.72 3.54 1.77 1.77 0.535453 -0.844565 1.0
+9 1 1.72 7.0799999 0.0 0.0 -0.986135 0.165942 1.0
+10 1 1.72 8.8500004 1.77 0.0 -0.37352 -0.927622 1.0
+11 1 1.72 8.8500004 0.0 1.77 -0.926878 0.375363 1.0
+12 1 1.72 7.0799999 1.77 1.77 -0.690063 -0.72375 1.0
+13 1 1.72 10.6199999 0.0 0.0 -0.7204 -0.693559 1.0
+14 1 1.72 12.3900004 1.77 0.0 -0.832046 -0.554707 1.0
+15 1 1.72 12.3900004 0.0 1.77 0.23719 0.971463 1.0
+16 1 1.72 10.6199999 1.77 1.77 0.456617 -0.889663 1.0
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+20 1 1.72 14.1599999 1.77 1.77 -0.770778 -0.637104 1.0
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+8082 1 1.72 15.9300004 15.9300004 109.7399979 0.982164 -0.188026 1.0
+8083 1 1.72 15.9300004 14.1599999 111.5100022 0.661595 -0.749862 1.0
+8084 1 1.72 14.1599999 15.9300004 111.5100022 0.894789 0.446489 1.0
+8085 1 1.72 17.7000008 14.1599999 109.7399979 -0.59649 0.802621 1.0
+8086 1 1.72 19.4699993 15.9300004 109.7399979 0.945592 -0.325356 1.0
+8087 1 1.72 19.4699993 14.1599999 111.5100022 0.237079 -0.97149 1.0
+8088 1 1.72 17.7000008 15.9300004 111.5100022 0.541095 -0.840961 1.0
+8089 1 1.72 21.2399998 14.1599999 109.7399979 0.547786 0.836619 1.0
+8090 1 1.72 23.0100002 15.9300004 109.7399979 -0.810246 0.58609 1.0
+8091 1 1.72 23.0100002 14.1599999 111.5100022 -0.0396045 -0.999215 1.0
+8092 1 1.72 21.2399998 15.9300004 111.5100022 0.999244 0.0388725 1.0
+8093 1 1.72 24.7800007 14.1599999 109.7399979 -0.995393 -0.0958841 1.0
+8094 1 1.72 26.5499993 15.9300004 109.7399979 0.707666 -0.706547 1.0
+8095 1 1.72 26.5499993 14.1599999 111.5100022 -0.857797 0.513989 1.0
+8096 1 1.72 24.7800007 15.9300004 111.5100022 0.688346 0.725383 1.0
+8097 1 1.72 0.0 17.7000008 109.7399979 0.453695 0.891157 1.0
+8098 1 1.72 1.77 19.4699993 109.7399979 -0.869991 0.493068 1.0
+8099 1 1.72 1.77 17.7000008 111.5100022 -0.828945 0.55933 1.0
+8100 1 1.72 0.0 19.4699993 111.5100022 -0.578312 -0.815815 1.0
+8101 1 1.72 3.54 17.7000008 109.7399979 -0.474111 -0.880465 1.0
+8102 1 1.72 5.31 19.4699993 109.7399979 -0.953145 0.302515 1.0
+8103 1 1.72 5.31 17.7000008 111.5100022 -0.662482 0.749078 1.0
+8104 1 1.72 3.54 19.4699993 111.5100022 -0.673709 0.738997 1.0
+8105 1 1.72 7.0799999 17.7000008 109.7399979 0.703708 0.71049 1.0
+8106 1 1.72 8.8500004 19.4699993 109.7399979 -0.962777 0.270298 1.0
+8107 1 1.72 8.8500004 17.7000008 111.5100022 -0.409325 0.912389 1.0
+8108 1 1.72 7.0799999 19.4699993 111.5100022 0.992278 0.12403 1.0
+8109 1 1.72 10.6199999 17.7000008 109.7399979 -0.256869 -0.966446 1.0
+8110 1 1.72 12.3900004 19.4699993 109.7399979 -0.81811 0.575062 1.0
+8111 1 1.72 12.3900004 17.7000008 111.5100022 0.944442 -0.328678 1.0
+8112 1 1.72 10.6199999 19.4699993 111.5100022 -0.790776 0.612106 1.0
+8113 1 1.72 14.1599999 17.7000008 109.7399979 0.99885 0.047945 1.0
+8114 1 1.72 15.9300004 19.4699993 109.7399979 -0.75767 0.652638 1.0
+8115 1 1.72 15.9300004 17.7000008 111.5100022 0.104479 -0.994527 1.0
+8116 1 1.72 14.1599999 19.4699993 111.5100022 -0.366155 -0.930554 1.0
+8117 1 1.72 17.7000008 17.7000008 109.7399979 -0.100712 0.994916 1.0
+8118 1 1.72 19.4699993 19.4699993 109.7399979 0.20119 -0.979552 1.0
+8119 1 1.72 19.4699993 17.7000008 111.5100022 0.7043 -0.709902 1.0
+8120 1 1.72 17.7000008 19.4699993 111.5100022 0.995221 -0.0976515 1.0
+8121 1 1.72 21.2399998 17.7000008 109.7399979 0.0913868 0.995815 1.0
+8122 1 1.72 23.0100002 19.4699993 109.7399979 -0.783334 0.6216 1.0
+8123 1 1.72 23.0100002 17.7000008 111.5100022 0.762993 0.646407 1.0
+8124 1 1.72 21.2399998 19.4699993 111.5100022 0.969106 -0.246644 1.0
+8125 1 1.72 24.7800007 17.7000008 109.7399979 -0.99318 -0.116594 1.0
+8126 1 1.72 26.5499993 19.4699993 109.7399979 0.751321 -0.659937 1.0
+8127 1 1.72 26.5499993 17.7000008 111.5100022 -0.41311 -0.910681 1.0
+8128 1 1.72 24.7800007 19.4699993 111.5100022 -0.231533 0.972827 1.0
+8129 1 1.72 0.0 21.2399998 109.7399979 -0.638342 -0.769753 1.0
+8130 1 1.72 1.77 23.0100002 109.7399979 -0.358386 -0.933574 1.0
+8131 1 1.72 1.77 21.2399998 111.5100022 0.0433983 -0.999058 1.0
+8132 1 1.72 0.0 23.0100002 111.5100022 -0.986115 -0.166067 1.0
+8133 1 1.72 3.54 21.2399998 109.7399979 0.996583 0.082601 1.0
+8134 1 1.72 5.31 23.0100002 109.7399979 -0.865815 0.500364 1.0
+8135 1 1.72 5.31 21.2399998 111.5100022 0.446465 0.894801 1.0
+8136 1 1.72 3.54 23.0100002 111.5100022 0.701589 -0.712582 1.0
+8137 1 1.72 7.0799999 21.2399998 109.7399979 0.994388 0.105798 1.0
+8138 1 1.72 8.8500004 23.0100002 109.7399979 0.779675 0.626184 1.0
+8139 1 1.72 8.8500004 21.2399998 111.5100022 -0.913378 0.407112 1.0
+8140 1 1.72 7.0799999 23.0100002 111.5100022 -0.974435 0.22467 1.0
+8141 1 1.72 10.6199999 21.2399998 109.7399979 0.0180628 0.999837 1.0
+8142 1 1.72 12.3900004 23.0100002 109.7399979 -0.393018 0.919531 1.0
+8143 1 1.72 12.3900004 21.2399998 111.5100022 0.171283 -0.985222 1.0
+8144 1 1.72 10.6199999 23.0100002 111.5100022 0.853928 0.520391 1.0
+8145 1 1.72 14.1599999 21.2399998 109.7399979 -0.893534 -0.448996 1.0
+8146 1 1.72 15.9300004 23.0100002 109.7399979 0.783901 0.620886 1.0
+8147 1 1.72 15.9300004 21.2399998 111.5100022 -0.636441 0.771326 1.0
+8148 1 1.72 14.1599999 23.0100002 111.5100022 -0.62653 0.779398 1.0
+8149 1 1.72 17.7000008 21.2399998 109.7399979 -0.426717 -0.904385 1.0
+8150 1 1.72 19.4699993 23.0100002 109.7399979 0.150477 -0.988614 1.0
+8151 1 1.72 19.4699993 21.2399998 111.5100022 0.993032 -0.117843 1.0
+8152 1 1.72 17.7000008 23.0100002 111.5100022 -0.858474 -0.512857 1.0
+8153 1 1.72 21.2399998 21.2399998 109.7399979 0.671527 -0.74098 1.0
+8154 1 1.72 23.0100002 23.0100002 109.7399979 0.724398 -0.689382 1.0
+8155 1 1.72 23.0100002 21.2399998 111.5100022 -0.533734 -0.845652 1.0
+8156 1 1.72 21.2399998 23.0100002 111.5100022 0.446337 0.894865 1.0
+8157 1 1.72 24.7800007 21.2399998 109.7399979 0.100506 -0.994936 1.0
+8158 1 1.72 26.5499993 23.0100002 109.7399979 0.663547 -0.748135 1.0
+8159 1 1.72 26.5499993 21.2399998 111.5100022 -0.838999 0.544134 1.0
+8160 1 1.72 24.7800007 23.0100002 111.5100022 -0.412355 -0.911023 1.0
+8161 1 1.72 0.0 24.7800007 109.7399979 -0.768577 -0.639757 1.0
+8162 1 1.72 1.77 26.5499993 109.7399979 0.876973 -0.480539 1.0
+8163 1 1.72 1.77 24.7800007 111.5100022 0.940988 0.33844 1.0
+8164 1 1.72 0.0 26.5499993 111.5100022 -0.739484 -0.673174 1.0
+8165 1 1.72 3.54 24.7800007 109.7399979 0.463964 0.885854 1.0
+8166 1 1.72 5.31 26.5499993 109.7399979 0.834599 0.550857 1.0
+8167 1 1.72 5.31 24.7800007 111.5100022 -0.414423 -0.910084 1.0
+8168 1 1.72 3.54 26.5499993 111.5100022 0.209991 0.977703 1.0
+8169 1 1.72 7.0799999 24.7800007 109.7399979 -0.200071 -0.979781 1.0
+8170 1 1.72 8.8500004 26.5499993 109.7399979 -0.593916 0.804527 1.0
+8171 1 1.72 8.8500004 24.7800007 111.5100022 -0.976341 -0.216238 1.0
+8172 1 1.72 7.0799999 26.5499993 111.5100022 0.892014 -0.452008 1.0
+8173 1 1.72 10.6199999 24.7800007 109.7399979 0.262541 0.964921 1.0
+8174 1 1.72 12.3900004 26.5499993 109.7399979 -0.541535 -0.840678 1.0
+8175 1 1.72 12.3900004 24.7800007 111.5100022 0.789328 0.613972 1.0
+8176 1 1.72 10.6199999 26.5499993 111.5100022 0.500046 0.865999 1.0
+8177 1 1.72 14.1599999 24.7800007 109.7399979 0.353277 0.935519 1.0
+8178 1 1.72 15.9300004 26.5499993 109.7399979 0.604788 0.796387 1.0
+8179 1 1.72 15.9300004 24.7800007 111.5100022 0.840508 -0.541799 1.0
+8180 1 1.72 14.1599999 26.5499993 111.5100022 0.296351 -0.955079 1.0
+8181 1 1.72 17.7000008 24.7800007 109.7399979 -0.957237 0.289304 1.0
+8182 1 1.72 19.4699993 26.5499993 109.7399979 0.344119 -0.938926 1.0
+8183 1 1.72 19.4699993 24.7800007 111.5100022 -0.989355 -0.145521 1.0
+8184 1 1.72 17.7000008 26.5499993 111.5100022 0.787109 0.616813 1.0
+8185 1 1.72 21.2399998 24.7800007 109.7399979 -0.321766 0.946819 1.0
+8186 1 1.72 23.0100002 26.5499993 109.7399979 -0.647284 -0.762249 1.0
+8187 1 1.72 23.0100002 24.7800007 111.5100022 -0.999094 0.0425548 1.0
+8188 1 1.72 21.2399998 26.5499993 111.5100022 -0.33438 0.942438 1.0
+8189 1 1.72 24.7800007 24.7800007 109.7399979 0.960667 -0.277704 1.0
+8190 1 1.72 26.5499993 26.5499993 109.7399979 0.822147 -0.569276 1.0
+8191 1 1.72 26.5499993 24.7800007 111.5100022 0.915832 -0.401561 1.0
+8192 1 1.72 24.7800007 26.5499993 111.5100022 -0.746316 -0.665592 1.0
diff --git a/examples/SPIN/in.spin.cobalt b/examples/SPIN/in.spin.cobalt
index 8147aad5fc..cb64c65f5c 100644
--- a/examples/SPIN/in.spin.cobalt
+++ b/examples/SPIN/in.spin.cobalt
@@ -6,7 +6,7 @@ clear
 units metal
 dimension 3
 boundary p p p 
-#boundary f f f
+#boundary p p f
 
 #newton off
 
@@ -48,39 +48,42 @@ velocity all create 200 4928459 rot yes dist gaussian
 #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_style hybrid/overlay eam/alloy pair/spin/exchange 4.0 pair/spin/soc/neel 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
+#pair_style pair/spin/exchange 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 
+#pair_coeff * * pair/spin/exchange exchange 4.0 0.0446928 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 
+#pair_coeff * * pair/spin/soc/neel neel 4.0 0.003330282 0.864159 2.13731 
+pair_coeff * * pair/spin/soc/neel neel 4.0 0.003330282 0.864159 2.13731 
+#pair_coeff * * pair/spin/soc/neel neel 4.0 0.0 0.864159 2.13731 
 
 #Define a skin distance, update neigh list every 
-#neighbor 1.0 bin
+#neighbor 0.1 bin
 #neigh_modify every 10 check yes delay 20
-neighbor 1.0 bin
-neigh_modify every 1 check no delay 0 
+neighbor 0.1 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 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
+#fix 2 all langevin/spin 0.0 0.0 0.0 21
 
 #Magnetic integration fix
 fix 3 all integration/spin mpi
@@ -105,16 +108,17 @@ 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
+#variable test      equal etotal-0.5*c_out_mag[6]
 
 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_tmag v_magz v_magnorm etotal
+thermo_style    custom step time v_magnorm v_emag v_tmag temp 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
+dump 1 all custom 50 dump_cobalt.lammpstrj type x y z spx spy spz
 
 #Running the simulations for N timesteps
-#run 100
+#run 1
 run 10000
 
diff --git a/examples/SPIN/in.spin.read_data b/examples/SPIN/in.spin.read_data
new file mode 100644
index 0000000000..81d654ad5b
--- /dev/null
+++ b/examples/SPIN/in.spin.read_data
@@ -0,0 +1,88 @@
+###################
+#######Init########
+###################
+
+clear 
+units metal
+dimension 3
+boundary p p p 
+#boundary f f f
+
+#setting atom_style to spin:
+atom_style spin
+
+atom_modify map array 
+
+###########################
+#######Create atoms########
+###########################
+
+read_data ../examples/SPIN/Norm_randXY_8x8x32_test.data 
+
+#######################
+#######Settings########
+#######################
+
+#Setting one or more properties of one or more atoms.
+mass		1 58.93
+
+#velocity all create 200 4928459 rot yes dist gaussian
+
+#Magneto-mechanic interactions for bulk fcc Cobalt
+pair_style hybrid/overlay eam/alloy pair/spin/exchange 4.0 pair/spin/soc/neel 4.0
+
+# cobalt eam potential
+pair_coeff * * eam/alloy ../examples/SPIN/Co_PurjaPun_2012.eam.alloy Co
+
+#type i and j | interaction type | cutoff | J1 (eV) | J2 (adim) | J3 (Ang) (for Exchange)
+pair_coeff * * pair/spin/exchange exchange 4.0 0.0446928 0.003496 1.4885 
+
+#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 Langevin spins (merging damping and temperature)
+#Temp | Alpha_trans | Alpha_long | Seed
+fix 2 all langevin/spin 0.0 0.0 0.0 21
+
+#Magnetic integration fix
+fix 3 all integration/spin serial
+
+#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 magz      equal c_out_mag[4]
+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_magnorm v_emag v_tmag temp etotal
+thermo_modify   format float %20.15g
+
+#Dump the positions and spin directions of magnetic particles (vmd format)
+dump 1 all custom 1 dump.lammpstrj type x y z spx spy spz
+
+#Running the simulations for N timesteps
+run 10
+#run 10000
+
diff --git a/examples/SPIN/in.spin.restart b/examples/SPIN/in.spin.restart
new file mode 100644
index 0000000000..bd9e0716e9
--- /dev/null
+++ b/examples/SPIN/in.spin.restart
@@ -0,0 +1,109 @@
+###################
+#######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
+
+#read_dump dump_cobalt.lammpstrj 500 x y z vx vy vz box yes
+read_dump ../examples/SPIN/Norm_randXY_8x8x32.dump 0 x y z box yes
+
+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 hybrid/overlay eam/alloy pair/spin/exchange 4.0 pair/spin/soc/neel 4.0
+
+# cobalt eam potential
+pair_coeff * * eam/alloy ../examples/SPIN/Co_PurjaPun_2012.eam.alloy Co
+
+#type i and j | interaction type | cutoff | J1 (eV) | J2 (adim) | J3 (Ang) (for Exchange)
+pair_coeff * * pair/spin/exchange exchange 4.0 0.0446928 0.003496 1.4885 
+
+#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 Langevin spins (merging damping and temperature)
+#Temp | Alpha_trans | Alpha_long | Seed
+fix 2 all langevin/spin 0.0 0.0 0.0 21
+
+#Magnetic integration fix
+fix 3 all integration/spin serial
+
+#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 magz      equal c_out_mag[4]
+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_magnorm v_emag v_tmag temp etotal
+thermo_modify   format float %20.15g
+
+#Dump the positions and spin directions of magnetic particles (vmd format)
+dump 1 all custom 20 dump.lammpstrj type x y z spx spy spz
+
+#Running the simulations for N timesteps
+run 100
+#run 10000
+
diff --git a/examples/SPIN/vmd_nano.vmd b/examples/SPIN/vmd_nano.vmd
new file mode 100644
index 0000000000..f9e3454270
--- /dev/null
+++ b/examples/SPIN/vmd_nano.vmd
@@ -0,0 +1,79 @@
+proc vmd_draw_arrow {mol start end} {
+     set middle [vecadd $start [vecscale 0.9 [vecsub $end $start]]]
+     graphics $mol cylinder $start $middle radius 0.05
+     graphics $mol cone $middle $end radius 0.01 color 3
+}
+
+proc vmd_draw_vector {args} {
+    set usage {"draw vector {x1 y1 z1} {x2 y2 z2} [scale <s>] [resolution <res>] [radius <r>] [filled <yes/no>]"}
+    # defaults
+    set scale 2.0
+    set res 50
+    set radius 0.1
+    set filled yes
+
+    if {[llength $args] < 3} {
+        error "wrong # args: should be $usage"
+    }
+    set mol    [lindex $args 0]
+    set center [lindex $args 1]
+    set vector [lindex $args 2]
+    if {[llength $center] != 3 || [llength $vector] != 3} {
+        error "wrong type of args: should be $usage"
+    }
+
+    foreach {flag value} [lrange $args 3 end] {
+        switch -glob $flag {
+            scale  {set scale  $value}
+            res*   {set res    $value}
+            rad*   {set radius $value}
+            fill*  {set filled $value}
+            default {error "unknown option '$flag': should be $usage" }
+        }
+    }
+    
+    set vechalf [vecscale [expr $scale * 0.5] $vector]
+    return [list \
+        [graphics $mol color yellow]\
+        [graphics $mol cylinder [vecsub $center $vechalf]\
+            [vecadd $center [vecscale 0.7 $vechalf]] \
+              radius $radius resolution $res filled $filled] \
+        [graphics $mol color orange]\
+        [graphics $mol cone [vecadd $center [vecscale 0.6 $vechalf]] \
+   	    [vecadd $center $vechalf] radius [expr $radius * 2.5] \
+              resolution $res]]
+}
+
+proc vmd_draw_spin {args} {
+     global molid
+     graphics $molid delete all
+     set frame [molinfo $molid get frame]
+     set natoms [molinfo $molid get numatoms]
+     for {set i 0} {$i < $natoms} {incr i} {
+        set sel [atomselect top "index $i"]
+#         set sel [atomselect top "index 1200"]
+        set coords [lindex [$sel get {x y z}] $molid]
+        set velocities [lindex [$sel get {vx vy vz}] $molid]
+        draw vector $coords $velocities  
+        set uvx [lindex [$sel get {vx}] $molid]
+       set uvy [lindex [$sel get {vy}] $molid]
+       set uvz [lindex [$sel get {vz}] $molid]
+       $sel set user [vecadd [vecadd [vecscale $uvy  $uvy] [vecscale $uvz  $uvz] ] [vecscale $uvx  $uvx]]
+       $sel set user $uvy
+       #draw vector $coords {0.0 uvy 0.0}
+       }
+ #pbc box -color 3 
+}
+
+proc enable_trace {} {
+     global vmd_frame
+     trace variable vmd_frame([molinfo top]) w vmd_draw_spin    
+     }
+     
+set molid [mol addfile {/home/jtranch/Documents/lammps/src/dump.lammpstrj} type {lammpstrj} autobonds off first 0 last -1 step 1 waitfor all]
+scale by 0.5
+animate style Loop
+enable_trace
+
+
+
diff --git a/src/SPIN/atom_vec_spin.cpp b/src/SPIN/atom_vec_spin.cpp
index 8edf8211ca..3f0f9e02bc 100644
--- a/src/SPIN/atom_vec_spin.cpp
+++ b/src/SPIN/atom_vec_spin.cpp
@@ -45,7 +45,7 @@ AtomVecSpin::AtomVecSpin(LAMMPS *lmp) : AtomVec(lmp)
   size_reverse = 6;
   size_border = 11;
   size_velocity = 3;
-  size_data_atom = 10; // to check later
+  size_data_atom = 9; // to check later
   size_data_vel = 4;
   xcol_data = 4;
  
diff --git a/src/SPIN/fix_integration_spin.cpp b/src/SPIN/fix_integration_spin.cpp
index 1fd0e25d4c..69ed8ed0e8 100644
--- a/src/SPIN/fix_integration_spin.cpp
+++ b/src/SPIN/fix_integration_spin.cpp
@@ -55,7 +55,8 @@ enum{NONE,SPIN};
 
 FixIntegrationSpin::FixIntegrationSpin(LAMMPS *lmp, int narg, char **arg) :
   Fix(lmp, narg, arg), 
-  rsec(NULL), k(NULL), adv_list(NULL),
+  rsec(NULL), stack_head(NULL), stack_foot(NULL), 
+  backward_stacks(NULL), forward_stacks(NULL),
   lockpairspinexchange(NULL), lockpairspinsocneel(NULL), lockforcespin(NULL),
   locklangevinspin(NULL)
 {
@@ -82,7 +83,8 @@ FixIntegrationSpin::FixIntegrationSpin(LAMMPS *lmp, int narg, char **arg) :
     error->all(FLERR,"Fix integration/spin requires spin attribute mumag");
 
   magpair_flag = 0;
-  exch_flag = soc_flag = 0;
+  exch_flag = 0;
+  soc_neel_flag = soc_dmi_flag = 0;
   magforce_flag = 0;
   zeeman_flag = aniso_flag = 0;
   maglangevin_flag = 0;
@@ -91,12 +93,15 @@ FixIntegrationSpin::FixIntegrationSpin(LAMMPS *lmp, int narg, char **arg) :
 }
 
 /* ---------------------------------------------------------------------- */
+
 FixIntegrationSpin::~FixIntegrationSpin()
 {
-  memory->destroy(k);
-  memory->destroy(adv_list);
-  
+
   memory->destroy(rsec);
+  memory->destroy(stack_head);
+  memory->destroy(stack_foot);
+  memory->destroy(forward_stacks);
+  memory->destroy(backward_stacks);
 
 }
 
@@ -106,6 +111,7 @@ int FixIntegrationSpin::setmask()
 {
   int mask = 0;
   mask |= INITIAL_INTEGRATE;
+  mask |= PRE_NEIGHBOR;
   mask |= FINAL_INTEGRATE;
   return mask;  
 }
@@ -126,8 +132,11 @@ void FixIntegrationSpin::init()
     exch_flag = 1;
     lockpairspinexchange = (PairSpinExchange *) force->pair;
   } else if (strstr(force->pair_style,"pair/spin/soc/neel")) {
-    soc_flag = 1;
+    soc_neel_flag = 1;
     lockpairspinsocneel = (PairSpinSocNeel *) force->pair;
+  } else if (strstr(force->pair_style,"pair/spin/soc/dmi")) {
+    soc_dmi_flag = 1;
+    lockpairspinsocdmi = (PairSpinSocDmi *) force->pair;
   } else if (strstr(force->pair_style,"hybrid/overlay")) {
     PairHybrid *lockhybrid = (PairHybrid *) force->pair;
     int nhybrid_styles = lockhybrid->nstyles;
@@ -137,8 +146,11 @@ void FixIntegrationSpin::init()
         exch_flag = 1;
 	lockpairspinexchange = (PairSpinExchange *) lockhybrid->styles[ipair];
       } else if (strstr(lockhybrid->keywords[ipair],"pair/spin/soc/neel")) {
-	soc_flag = 1;
+	soc_neel_flag = 1;
 	lockpairspinsocneel = (PairSpinSocNeel *) lockhybrid->styles[ipair];
+      } else if (strstr(lockhybrid->keywords[ipair],"pair/spin/soc/dmi")) {
+	soc_dmi_flag = 1;
+	lockpairspinsocdmi = (PairSpinSocDmi *) lockhybrid->styles[ipair];
       }
     }
   } else error->all(FLERR,"Illegal fix integration/spin command");
@@ -179,8 +191,10 @@ void FixIntegrationSpin::init()
 
   // grow tables for k and adv_list
 
-  k = memory->grow(k,nsectors,"integration/spin:k");
-  adv_list = memory->grow(adv_list,nsectors,atom->nmax,"integration/spin:adv_list");
+  stack_head = memory->grow(stack_head,nsectors,"integration/spin:stack_head");
+  stack_foot = memory->grow(stack_foot,nsectors,"integration/spin:stack_foot");
+  forward_stacks = memory->grow(forward_stacks,atom->nmax,"integration/spin:forward_stacks");
+  backward_stacks = memory->grow(backward_stacks,atom->nmax,"integration/spin:backward_stacks");
 
 }
 
@@ -189,7 +203,6 @@ void FixIntegrationSpin::init()
 void FixIntegrationSpin::initial_integrate(int vflag)
 {
   double dtfm,msq,scale,fm2,fmsq,sp2,spsq,energy;
-  double xi[3];
   double spi[3], fmi[3];
 	
   double **x = atom->x;	
@@ -216,55 +229,37 @@ void FixIntegrationSpin::initial_integrate(int vflag)
     }
   }
 
-  // grow/shrink adv_list table to nlocal
-  // init. tables for mpi-sector storage
-
-  int p;
-  adv_list = memory->grow(adv_list,nsectors,nlocal,"integration/spin:adv_list");
-  for (int j = 0; j < nsectors; j++) {
-    k[j] = 0;
-    for (int i = 0; i < nlocal; i++) {
-      adv_list[j][i] = 0;
-    }
-  }
-
   // update half s for all atoms
 
   if (extra == SPIN) {
     if (mpi_flag) {				// mpi seq. update
-      int nseci;
       for (int j = 0; j < nsectors; j++) {	// advance quarter s for nlocal
         comm->forward_comm();
-	k[j] = 0;
-        for (int i = 0; i < nlocal; i++) {
-       	  xi[0] = x[i][0];
-	  xi[1] = x[i][1];
-       	  xi[2] = x[i][2];
-       	  nseci = coords2sector(xi);
-	  if (j != nseci) continue;
+	int i = stack_foot[j];
+        while (i >= 0) {
 	  ComputeInteractionsSpin(i);
     	  AdvanceSingleSpin(i,dts);
-	  adv_list[j][k[j]] = i;
-          k[j]++;   
-      	}
+	  i = forward_stacks[i];
+	}
       }
-      for (int j = nsectors-1; j >= 0; j--) {	// advance quarter s for nlocal
-	comm->forward_comm();
-        for (int i = k[j]-1; i >= 0; i--) {
-          p = adv_list[j][i];
-	  ComputeInteractionsSpin(p);
-    	  AdvanceSingleSpin(p,dts);
-        }
+      for (int j = nsectors-1; j >= 0; j--) {	// advance quarter s for nlocal 
+        comm->forward_comm();
+	int i = stack_head[j];
+	while (i >= 0) {
+	  ComputeInteractionsSpin(i);
+    	  AdvanceSingleSpin(i,dts);
+	  i = backward_stacks[i];
+	}
       }
     } else if (mpi_flag == 0) {			// serial seq. update
       comm->forward_comm();			// comm. positions of ghost atoms
-      for (int i = 0; i < nlocal-1; i++){	// advance quarter s for nlocal
+      for (int i = 0; i < nlocal-1; i++){	// advance quarter s for nlocal-1
         ComputeInteractionsSpin(i);
     	AdvanceSingleSpin(i,dts);
       }
       ComputeInteractionsSpin(nlocal-1);
       AdvanceSingleSpin(nlocal-1,2.0*dts);	// advance half s for 1
-      for (int i = nlocal-2; i >= 0; i--){	// advance quarter s for nlocal
+      for (int i = nlocal-2; i >= 0; i--){	// advance quarter s for nlocal-1
         ComputeInteractionsSpin(i);
         AdvanceSingleSpin(i,dts);
       }
@@ -287,48 +282,94 @@ void FixIntegrationSpin::initial_integrate(int vflag)
 
   if (extra == SPIN) {
     if (mpi_flag) {				// mpi seq. update
-      int nseci;
       for (int j = 0; j < nsectors; j++) {	// advance quarter s for nlocal
-        comm->forward_comm(); 
-        for (int i = 0; i < k[j]; i++) {
-	  p = adv_list[j][i];
-	  ComputeInteractionsSpin(p);
-    	  AdvanceSingleSpin(p,dts);
-      	}    
+        comm->forward_comm();
+	int i = stack_foot[j];
+        while (i >= 0) {
+	  ComputeInteractionsSpin(i);
+    	  AdvanceSingleSpin(i,dts);
+	  i = forward_stacks[i];
+	}
       }
       for (int j = nsectors-1; j >= 0; j--) {	// advance quarter s for nlocal 
         comm->forward_comm();
-        for (int i = k[j]-1; i >= 0; i--) {
-          p = adv_list[j][i];
-	  ComputeInteractionsSpin(p);
-    	  AdvanceSingleSpin(p,dts);
-        }    
+	int i = stack_head[j];
+	while (i >= 0) {
+	  ComputeInteractionsSpin(i);
+    	  AdvanceSingleSpin(i,dts);
+	  i = backward_stacks[i];
+	}
       }
     } else if (mpi_flag == 0) {			// serial seq. update
       comm->forward_comm();			// comm. positions of ghost atoms
-      for (int i = 0; i < nlocal-1; i++){	// advance quarter s for nlocal
+      for (int i = 0; i < nlocal-1; i++){	// advance quarter s for nlocal-1
         ComputeInteractionsSpin(i);
         AdvanceSingleSpin(i,dts);
       }
       ComputeInteractionsSpin(nlocal-1);
       AdvanceSingleSpin(nlocal-1,2.0*dts);	// advance half s for 1
-      for (int i = nlocal-2; i >= 0; i--){	// advance quarter s for nlocal
+      for (int i = nlocal-2; i >= 0; i--){	// advance quarter s for nlocal-1
         ComputeInteractionsSpin(i);
         AdvanceSingleSpin(i,dts);
       }
     } else error->all(FLERR,"Illegal fix integration/spin command");
   }
 
+}
+
+/* ---------------------------------------------------------------------- 
+   setup pre_neighbor()
+---------------------------------------------------------------------- */
+
+void FixIntegrationSpin::setup_pre_neighbor()
+{
+  pre_neighbor();
+}
+
+/* ---------------------------------------------------------------------- 
+   store in two linked lists the advance order of the spins
+---------------------------------------------------------------------- */
+
+void FixIntegrationSpin::pre_neighbor()
+{
+  double **x = atom->x;	
+  int nlocal = atom->nlocal;
+
+  for (int j = 0; j < nsectors; j++) {
+    stack_head[j] = -1;
+    stack_foot[j] = -1;
+  }
+
+  int nseci;
+  for (int j = 0; j < nsectors; j++) {		// stacking backward order
+    for (int i = 0; i < nlocal; i++) {
+      nseci = coords2sector(x[i]);
+      if (j != nseci) continue;
+      backward_stacks[i] = stack_head[j];
+      stack_head[j] = i;
+    }
+  }
+  for (int j = nsectors-1; j >= 0; j--) {	// stacking forward order
+    for (int i = nlocal-1; i >= 0; i--) {
+      nseci = coords2sector(x[i]);
+      if (j != nseci) continue;
+      forward_stacks[i] = stack_foot[j];
+      stack_foot[j] = i;
+    }
+  }
 
 }
 
-/* ---------------------------------------------------------------------- */
+/* ---------------------------------------------------------------------- 
+   compute the magnetic force for the spin ii
+---------------------------------------------------------------------- */
+
 void FixIntegrationSpin::ComputeInteractionsSpin(int ii)
 {
   const int nlocal = atom->nlocal;
-  double xi[3], rij[3];
+  double xi[3], rij[3], eij[3];
   double spi[3], spj[3];
-  double fmi[3], fmj[3];
+  double fmi[3];
 
   int i,j,jj,inum,jnum,itype,jtype;
   int *ilist,*jlist,*numneigh,**firstneigh;
@@ -338,7 +379,7 @@ void FixIntegrationSpin::ComputeInteractionsSpin(int ii)
   int *type = atom->type;
   const int newton_pair = force->newton_pair;
 
-  // add test here
+  // add test here (only exchange quantities here)
   if (exch_flag) { 
     inum = lockpairspinexchange->list->inum;
     ilist = lockpairspinexchange->list->ilist;
@@ -366,7 +407,6 @@ void FixIntegrationSpin::ComputeInteractionsSpin(int ii)
   xi[1] = x[i][1];
   xi[2] = x[i][2];
   fmi[0] = fmi[1] = fmi[2] = 0.0;
-  fmj[0] = fmj[1] = fmj[2] = 0.0;
   jlist = firstneigh[i];
   jnum = numneigh[i];
 
@@ -383,31 +423,41 @@ void FixIntegrationSpin::ComputeInteractionsSpin(int ii)
     spj[1] = sp[j][1];
     spj[2] = sp[j][2];
 
-
     rij[0] = x[j][0] - xi[0];
     rij[1] = x[j][1] - xi[1];
     rij[2] = x[j][2] - xi[2];
     rsq = rij[0]*rij[0] + rij[1]*rij[1] + rij[2]*rij[2];
     inorm = 1.0/sqrt(rsq);
-    rij[0] *= inorm;
-    rij[1] *= inorm;
-    rij[2] *= inorm;
 
     temp_cut = 0.0;
 
     if (exch_flag) {		// exchange
       temp_cut = lockpairspinexchange->cut_spin_exchange[itype][jtype];
       cut_2 = temp_cut*temp_cut;
-      if (rsq <= cut_2) { 
-        lockpairspinexchange->compute_exchange(i,j,rsq,fmi,fmj,spi,spj);
+      if (rsq <= cut_2) {
+	lockpairspinexchange->compute_exchange(i,j,rsq,fmi,spi,spj);
       }  
     }
 
-    if (soc_flag) {		// soc
+    if (soc_neel_flag) {		// soc_neel
       temp_cut = lockpairspinsocneel->cut_soc_neel[itype][jtype];
       cut_2 = temp_cut*temp_cut;
       if (rsq <= cut_2) {
-	//lockpairspinsocneel->compute_soc_neel(i,j,rsq,rij,fmi,fmj,spi,spj);
+	eij[0] = rij[0]*inorm;
+	eij[1] = rij[1]*inorm;
+	eij[2] = rij[2]*inorm;
+	lockpairspinsocneel->compute_soc_neel(i,j,rsq,eij,fmi,spi,spj);
+      }
+    }
+    
+    if (soc_dmi_flag) {		// soc_dmi
+      temp_cut = lockpairspinsocdmi->cut_soc_dmi[itype][jtype];
+      cut_2 = temp_cut*temp_cut;
+      if (rsq <= cut_2) {
+	eij[0] = rij[0]*inorm;
+	eij[1] = rij[1]*inorm;
+	eij[2] = rij[2]*inorm;
+	lockpairspinsocdmi->compute_soc_dmi(i,j,fmi,spi,spj);
       }
     }
 
@@ -431,7 +481,7 @@ void FixIntegrationSpin::ComputeInteractionsSpin(int ii)
     } 
   }
 
-  // replace the magnethic force i by its new value
+  // replace the magnetic force fm[i] by its new value
 
   fm[i][0] = fmi[0];
   fm[i][1] = fmi[1];
@@ -439,7 +489,10 @@ void FixIntegrationSpin::ComputeInteractionsSpin(int ii)
 
 }
 
-/* ---------------------------------------------------------------------- */
+/* ---------------------------------------------------------------------- 
+   divide each domain into sectors
+---------------------------------------------------------------------- */
+
 void FixIntegrationSpin::sectoring()
 {
   int sec[3];
@@ -482,9 +535,11 @@ void FixIntegrationSpin::sectoring()
 
 }
 
-/* ---------------------------------------------------------------------- */
+/* ---------------------------------------------------------------------- 
+   define sector for an atom at a position x[i]
+---------------------------------------------------------------------- */
 
-int FixIntegrationSpin::coords2sector(double x[3])
+int FixIntegrationSpin::coords2sector(double *x)
 {
   int nseci;
   int seci[3];
@@ -494,6 +549,8 @@ int FixIntegrationSpin::coords2sector(double x[3])
     sublo[dim]=sublotmp[dim];
   }
 
+//#define M1
+#if defined M1
   double rix = (x[0] - sublo[0])/rsec[0];
   double riy = (x[1] - sublo[1])/rsec[1];
   double riz = (x[2] - sublo[2])/rsec[2];
@@ -501,14 +558,23 @@ int FixIntegrationSpin::coords2sector(double x[3])
   seci[0] = static_cast<int>(rix);
   seci[1] = static_cast<int>(riy);
   seci[2] = static_cast<int>(riz);
+#endif
+
+#define M2
+#if defined M2
+  seci[0] = x[0] > (sublo[0] + rsec[0]);
+  seci[1] = x[1] > (sublo[1] + rsec[1]);
+  seci[2] = x[2] > (sublo[2] + rsec[2]);
+#endif
 
   nseci = (seci[0] + 2*seci[1] + 4*seci[2]); 
 
   return nseci;
 }
 
-
-/* ---------------------------------------------------------------------- */
+/* ---------------------------------------------------------------------- 
+   advance the spin i of a timestep dtl
+---------------------------------------------------------------------- */
 
 void FixIntegrationSpin::AdvanceSingleSpin(int i, double dtl)
 {
diff --git a/src/SPIN/fix_integration_spin.h b/src/SPIN/fix_integration_spin.h
index dfeef599a3..727b5c89c6 100644
--- a/src/SPIN/fix_integration_spin.h
+++ b/src/SPIN/fix_integration_spin.h
@@ -38,7 +38,10 @@ class FixIntegrationSpin : public Fix {
   void AdvanceSingleSpin(int, double);
 
   void sectoring();			// sectoring operation functions 
-  int coords2sector(double x[3]);
+  int coords2sector(double *);
+
+  void setup_pre_neighbor();
+  void pre_neighbor();
 
  protected:
   int extra, mpi_flag;
@@ -46,7 +49,8 @@ class FixIntegrationSpin : public Fix {
   double dtv,dtf,dts;		// velocity, force, and spin timesteps
   
   int magpair_flag;		// magnetic pair flags
-  int soc_flag, exch_flag;
+  int exch_flag;
+  int soc_neel_flag, soc_dmi_flag;
   int magforce_flag;		// magnetic force flags
   int zeeman_flag, aniso_flag;
   int maglangevin_flag;		// magnetic langevin flags
@@ -57,12 +61,19 @@ class FixIntegrationSpin : public Fix {
   class PairHybrid *lockhybrid;    
   class PairSpinExchange *lockpairspinexchange;
   class PairSpinSocNeel *lockpairspinsocneel;
+  class PairSpinSocDmi *lockpairspinsocdmi;
   class FixForceSpin *lockforcespin;
   class FixLangevinSpin *locklangevinspin; 
 
   int nsectors;			// sectoring variables
   double *rsec;
-  int *k, **adv_list;
+
+  // stacking variables for sectoring algorithm
+  
+  int *stack_head;	// index of first atom in backward_stacks  
+  int *stack_foot;	// index of first atom in forward_stacks
+  int *backward_stacks;	// index of next atom in backward stack
+  int *forward_stacks;	// index of next atom in forward stack
 
 };
 
diff --git a/src/SPIN/pair_spin_exchange.cpp b/src/SPIN/pair_spin_exchange.cpp
index 9080fce51d..e16f3e6d31 100755
--- a/src/SPIN/pair_spin_exchange.cpp
+++ b/src/SPIN/pair_spin_exchange.cpp
@@ -42,9 +42,6 @@ PairSpinExchange::PairSpinExchange(LAMMPS *lmp) : Pair(lmp)
 {
   hbar = force->hplanck/MY_2PI;
 
-  newton_pair_spin = 0; // no newton pair for now => to be corrected
- // newton_pair = 0;
-
   single_enable = 0;
   exch_flag = 0; 
   exch_mech_flag = 0; 
@@ -77,7 +74,6 @@ void PairSpinExchange::compute(int eflag, int vflag)
   double evdwl,ecoul;
   double xi[3], rij[3];
   double fi[3], fmi[3];
-  double fj[3], fmj[3];
   double cut_ex_2,cut_spin_exchange_global2;
   double rsq,rd,inorm;
   int *ilist,*jlist,*numneigh,**firstneigh;  
@@ -129,9 +125,7 @@ void PairSpinExchange::compute(int eflag, int vflag)
       evdwl = 0.0;
 
       fi[0] = fi[1] = fi[2] = 0.0;
-      fj[0] = fj[1] = fj[2] = 0.0;
       fmi[0] = fmi[1] = fmi[2] = 0.0;
-      fmj[0] = fmj[1] = fmj[2] = 0.0;
      
       rij[0] = x[j][0] - xi[0];
       rij[1] = x[j][1] - xi[1];
@@ -150,8 +144,8 @@ void PairSpinExchange::compute(int eflag, int vflag)
       if (exch_flag) {
         cut_ex_2 = cut_spin_exchange[itype][jtype]*cut_spin_exchange[itype][jtype];
         if (rsq <= cut_ex_2) {
-          compute_exchange(i,j,rsq,fmi,fmj,spi,spj);   
-	  compute_exchange_mech(i,j,rsq,rij,fi,fj,spi,spj);
+          compute_exchange(i,j,rsq,fmi,spi,spj);   
+	  compute_exchange_mech(i,j,rsq,rij,fi,spi,spj);
         }
       }
 
@@ -162,22 +156,16 @@ void PairSpinExchange::compute(int eflag, int vflag)
       fm[i][1] += fmi[1];	  	  
       fm[i][2] += fmi[2];
 
-      // check newton pair  =>  needs correction
-//      if (newton_pair || j < nlocal) {
-      if (newton_pair_spin) {
-	f[j][0] += fj[0];	 
-        f[j][1] += fj[1];	  	  
-        f[j][2] += fj[2];
-        fm[j][0] += fmj[0];	 
-        fm[j][1] += fmj[1];	  	  
-        fm[j][2] += fmj[2];
+      // check newton pair  =>  see if needs correction
+      if (newton_pair || j < nlocal) {
+	f[j][0] -= fi[0];	 
+        f[j][1] -= fi[1];	  	  
+        f[j][2] -= fi[2];
       }
- 
+
       if (eflag) {
 	if (rsq <= cut_ex_2) {
-	  evdwl -= spi[0]*fmi[0];
-	  evdwl -= spi[1]*fmi[1];
-	  evdwl -= spi[2]*fmi[2];
+	  evdwl -= (spi[0]*fmi[0] + spi[1]*fmi[1] + spi[2]*fmi[2]);
 	  evdwl *= hbar;
 	} else evdwl = 0.0;
       }
@@ -193,7 +181,7 @@ void PairSpinExchange::compute(int eflag, int vflag)
 
 /* ---------------------------------------------------------------------- */
 
-void PairSpinExchange::compute_exchange(int i, int j, double rsq, double fmi[3],  double fmj[3], double spi[3], double spj[3])
+void PairSpinExchange::compute_exchange(int i, int j, double rsq, double fmi[3], double spi[3], double spj[3])
 {
   int *type = atom->type;  
   int itype, jtype;
@@ -205,20 +193,16 @@ void PairSpinExchange::compute_exchange(int i, int j, double rsq, double fmi[3],
   Jex = 4.0*J1_mag[itype][jtype]*ra;
   Jex *= (1.0-J2[itype][jtype]*ra);
   Jex *= exp(-ra);
-
-  fmi[0] -= 0.5*Jex*spj[0];
-  fmi[1] -= 0.5*Jex*spj[1];
-  fmi[2] -= 0.5*Jex*spj[2];
+  
+  fmi[0] += Jex*spj[0];
+  fmi[1] += Jex*spj[1];
+  fmi[2] += Jex*spj[2];
           
-  fmj[0] -= 0.5*Jex*spi[0];
-  fmj[1] -= 0.5*Jex*spi[1];
-  fmj[2] -= 0.5*Jex*spi[2];
-
 }
 
 /* ---------------------------------------------------------------------- */
 
-void PairSpinExchange::compute_exchange_mech(int i, int j, double rsq, double rij[3], double fi[3],  double fj[3], double *spi, double *spj)
+void PairSpinExchange::compute_exchange_mech(int i, int j, double rsq, double rij[3], double fi[3],  double spi[3], double spj[3])
 {
   int *type = atom->type;  
   int itype, jtype;
@@ -234,15 +218,11 @@ void PairSpinExchange::compute_exchange_mech(int i, int j, double rsq, double ri
   Jex_mech = 1.0-ra-J2[itype][jtype]*ra*(2.0-ra);
   Jex_mech *= 8.0*Jex*rr*exp(-ra);
   Jex_mech *= (spi[0]*spj[0]+spi[1]*spj[1]+spi[2]*spj[2]); 
-
-  fi[0] += Jex_mech*rij[0];
-  fi[1] += Jex_mech*rij[1];
-  fi[2] += Jex_mech*rij[2];
+  
+  fi[0] -= Jex_mech*rij[0];
+  fi[1] -= Jex_mech*rij[1];
+  fi[2] -= Jex_mech*rij[2];
           
-  fj[0] -= Jex_mech*rij[0];
-  fj[1] -= Jex_mech*rij[1];
-  fj[2] -= Jex_mech*rij[2];
-
 }
 
 /* ----------------------------------------------------------------------
@@ -259,11 +239,11 @@ void PairSpinExchange::allocate()
     for (int j = i; j <= n; j++)
       setflag[i][j] = 0;
       
-  memory->create(cut_spin_exchange,n+1,n+1,"pair:cut_spin_exchange");
-  memory->create(J1_mag,n+1,n+1,"pair:J1_mag");
-  memory->create(J1_mech,n+1,n+1,"pair:J1_mech");
-  memory->create(J2,n+1,n+1,"pair:J2");  
-  memory->create(J3,n+1,n+1,"pair:J3");
+  memory->create(cut_spin_exchange,n+1,n+1,"pair/spin/exchange:cut_spin_exchange");
+  memory->create(J1_mag,n+1,n+1,"pair/spin/exchange:J1_mag");
+  memory->create(J1_mech,n+1,n+1,"pair/spin/exchange:J1_mech");
+  memory->create(J2,n+1,n+1,"pair/spin/exchange:J2");  
+  memory->create(J3,n+1,n+1,"pair/spin/exchange:J3");
  
   memory->create(cutsq,n+1,n+1,"pair:cutsq");  
   
@@ -361,13 +341,10 @@ void PairSpinExchange::init_style()
 
   neighbor->request(this,instance_me);
 
-  // check this half/full request  =>  needs correction/review
-#define FULLNEI
-#if defined FULLNEI
+  // check this half/full request  => to be verified
   int irequest = neighbor->request(this,instance_me);
   neighbor->requests[irequest]->half = 0;
   neighbor->requests[irequest]->full = 1;
-#endif
 
 }
 
diff --git a/src/SPIN/pair_spin_exchange.h b/src/SPIN/pair_spin_exchange.h
index 38cd03570f..0337d79faf 100755
--- a/src/SPIN/pair_spin_exchange.h
+++ b/src/SPIN/pair_spin_exchange.h
@@ -39,19 +39,16 @@ class PairSpinExchange : public Pair {
   void write_restart_settings(FILE *);
   void read_restart_settings(FILE *);
   
-  void compute_exchange(int, int, double, double fmi[3], double fmj[3],double spi[3], double spj[3]);
-  void compute_exchange_mech(int, int, double, double rij[3], double fmi[3], double fmj[3], double spi[3], double spj[3]);
+  void compute_exchange(int, int, double, double fmi[3], double spi[3], double spj[3]);
+  void compute_exchange_mech(int, int, double, double rij[3], double fi[3], double spi[3], double spj[3]);
  
   int exch_flag;			// magnetic exchange flag
   int exch_mech_flag;			// mechanic exchange flags
-
   double cut_spin_exchange_global;	// global exchange cutoff
   double **cut_spin_exchange;		// cutoff distance per exchange
 
  protected:
-  int newton_pair_spin; 
   double hbar;
-
   double **J1_mag, **J1_mech;		// exchange coeffs Jij
   double **J2, **J3;			// J1 in eV, J2 adim, J3 in Ang
 
diff --git a/src/SPIN/pair_spin_soc_dmi.cpp b/src/SPIN/pair_spin_soc_dmi.cpp
index 341f230fd3..60ef5d7941 100755
--- a/src/SPIN/pair_spin_soc_dmi.cpp
+++ b/src/SPIN/pair_spin_soc_dmi.cpp
@@ -42,11 +42,8 @@ PairSpinSocDmi::PairSpinSocDmi(LAMMPS *lmp) : Pair(lmp)
 {
   hbar = force->hplanck/MY_2PI;
 
-  newton_pair_spin = 0; // no newton pair for now => to be corrected
- // newton_pair = 0;
-
   single_enable = 0;
-  dmi_flag = 0;
+  soc_dmi_flag = 0;
 
   no_virial_fdotr_compute = 1;
 }
@@ -58,7 +55,7 @@ PairSpinSocDmi::~PairSpinSocDmi()
   if (allocated) {
     memory->destroy(setflag);
     
-    memory->destroy(cut_spin_dmi);
+    memory->destroy(cut_soc_dmi);
     memory->destroy(DM);
     memory->destroy(v_dmx);
     memory->destroy(v_dmy);
@@ -76,16 +73,15 @@ void PairSpinSocDmi::compute(int eflag, int vflag)
   double evdwl, ecoul;
   double xi[3], rij[3];
   double spi[3], spj[3];
-  double fi[3], fj[3];
-  double fmi[3], fmj[3];
-  double cut_dmi_2, cut_spin_me_global2;
+  double fi[3], fmi[3];
+  double cut_soc_dmi_2;
   double rsq, rd, inorm;
   int *ilist,*jlist,*numneigh,**firstneigh;  
 
   evdwl = ecoul = 0.0;
   if (eflag || vflag) ev_setup(eflag,vflag);
   else evflag = vflag_fdotr = 0;
-  cut_dmi_2 = cut_spin_dmi_global*cut_spin_dmi_global;
+  cut_soc_dmi_2 = cut_soc_global*cut_soc_global;
   
   double **x = atom->x;
   double **f = atom->f;
@@ -127,9 +123,7 @@ void PairSpinSocDmi::compute(int eflag, int vflag)
       evdwl = 0.0;
 
       fi[0] = fi[1] = fi[2] = 0.0;
-      fj[0] = fj[1] = fj[2] = 0.0;
       fmi[0] = fmi[1] = fmi[2] = 0.0;
-      fmj[0] = fmj[1] = fmj[2] = 0.0;
       rij[0] = rij[1] = rij[2] = 0.0;
      
       rij[0] = x[j][0] - xi[0];
@@ -140,15 +134,17 @@ void PairSpinSocDmi::compute(int eflag, int vflag)
       rij[0] *= inorm;
       rij[1] *= inorm;
       rij[2] *= inorm;
-
+      
       itype = type[i];
       jtype = type[j];
 
-      // dm interaction
-      if (dmi_flag){
-        cut_dmi_2 = cut_spin_dmi[itype][jtype]*cut_spin_dmi[itype][jtype];
-        if (rsq <= cut_dmi_2){
-          compute_dmi(i,j,fmi,fmj,spi,spj);
+      // compute magnetic and mechanical components of soc_dmi
+      
+      if (soc_dmi_flag){
+        cut_soc_dmi_2 = cut_soc_dmi[itype][jtype]*cut_soc_dmi[itype][jtype];
+        if (rsq <= cut_soc_dmi_2){
+          compute_soc_dmi(i,j,fmi,spi,spj);
+          compute_soc_dmi_mech(i,j,fi,spi,spj);
         } 
       }
 
@@ -159,18 +155,15 @@ void PairSpinSocDmi::compute(int eflag, int vflag)
       fm[i][1] += fmi[1];	  	  
       fm[i][2] += fmi[2];
 
-//      if (newton_pair || j < nlocal) {
-      if (newton_pair_spin) {
-	f[j][0] += fj[0];	 
-        f[j][1] += fj[1];	  	  
-        f[j][2] += fj[2];
-        fm[j][0] += fmj[0];	 
-        fm[j][1] += fmj[1];	  	  
-        fm[j][2] += fmj[2];
+      // check newton pair  =>  see if needs correction
+      if (newton_pair || j < nlocal) {
+	f[j][0] -= fi[0];	 
+        f[j][1] -= fi[1];	  	  
+        f[j][2] -= fi[2];
       }
  
       if (eflag) {
-	if (rsq <= cut_dmi_2) {
+	if (rsq <= cut_soc_dmi_2) {
 	  evdwl -= spi[0]*fmi[0];
 	  evdwl -= spi[1]*fmi[1];
 	  evdwl -= spi[2]*fmi[2];
@@ -189,7 +182,7 @@ void PairSpinSocDmi::compute(int eflag, int vflag)
 
 /* ---------------------------------------------------------------------- */
 
-void PairSpinSocDmi::compute_dmi(int i, int j, double fmi[3],  double fmj[3], double spi[3], double spj[3])
+void PairSpinSocDmi::compute_soc_dmi(int i, int j, double fmi[3],  double spi[3], double spj[3])
 {
   int *type = atom->type;  
   int itype, jtype;
@@ -205,11 +198,18 @@ void PairSpinSocDmi::compute_dmi(int i, int j, double fmi[3],  double fmj[3], do
   fmi[1] += spj[2]*dmix-spj[0]*dmiz;
   fmi[2] += spj[0]*dmiy-spj[1]*dmix;
 
-  fmj[0] -= spi[1]*dmiz-spi[2]*dmiy;
-  fmj[1] -= spi[2]*dmix-spi[0]*dmiz;
-  fmj[2] -= spi[0]*dmiy-spi[1]*dmix;
 }
 
+/* ---------------------------------------------------------------------- */
+
+void PairSpinSocDmi::compute_soc_dmi_mech(int i, int j, double fi[3], double spi[3], double spj[3])
+{
+  fi[0] += 0.0;
+  fi[1] += 0.0;
+  fi[2] += 0.0;
+}
+
+
 /* ----------------------------------------------------------------------
    allocate all arrays
 ------------------------------------------------------------------------- */
@@ -224,7 +224,7 @@ void PairSpinSocDmi::allocate()
     for (int j = i; j <= n; j++)
       setflag[i][j] = 0;
       
-  memory->create(cut_spin_dmi,n+1,n+1,"pair:cut_spin_dmi");
+  memory->create(cut_soc_dmi,n+1,n+1,"pair:cut_soc_dmi");
   memory->create(DM,n+1,n+1,"pair:DM");
   memory->create(v_dmx,n+1,n+1,"pair:DM_vector_x");
   memory->create(v_dmy,n+1,n+1,"pair:DM_vector_y");
@@ -246,7 +246,7 @@ void PairSpinSocDmi::settings(int narg, char **arg)
   if (strcmp(update->unit_style,"metal") != 0)
     error->all(FLERR,"Spin simulations require metal unit style");
     
-  cut_spin_dmi_global = force->numeric(FLERR,arg[0]);
+  cut_soc_global = force->numeric(FLERR,arg[0]);
     
   // reset cutoffs that have been explicitly set
 
@@ -255,7 +255,7 @@ void PairSpinSocDmi::settings(int narg, char **arg)
     for (i = 1; i <= atom->ntypes; i++)
       for (j = i+1; j <= atom->ntypes; j++)
         if (setflag[i][j]) {
-          cut_spin_dmi[i][j] = cut_spin_dmi_global;
+          cut_soc_dmi[i][j] = cut_soc_global;
         }
   }
    
@@ -273,7 +273,7 @@ void PairSpinSocDmi::coeff(int narg, char **arg)
 
   if (strcmp(arg[2],"dmi")==0) {
     if (narg != 8) error->all(FLERR,"Incorrect args in pair_style command");
-    dmi_flag = 1;   
+    soc_dmi_flag = 1;   
 
     int ilo,ihi,jlo,jhi;
     force->bounds(FLERR,arg[0],atom->ntypes,ilo,ihi);
@@ -293,7 +293,7 @@ void PairSpinSocDmi::coeff(int narg, char **arg)
     int count = 0;
     for (int i = ilo; i <= ihi; i++) {
       for (int j = MAX(jlo,i); j <= jhi; j++) {
-        cut_spin_dmi[i][j] = rij;
+        cut_soc_dmi[i][j] = rij;
         DM[i][j] = dm;
         v_dmx[i][j] = dmx;
         v_dmy[i][j] = dmy;
@@ -319,13 +319,10 @@ void PairSpinSocDmi::init_style()
 
   neighbor->request(this,instance_me);
 
-  // check this half/full request
-#define FULLNEI
-#if defined FULLNEI
+  // check this half/full request  => to be verified
   int irequest = neighbor->request(this,instance_me);
   neighbor->requests[irequest]->half = 0;
   neighbor->requests[irequest]->full = 1;
-#endif
 
 }
 
@@ -338,7 +335,7 @@ double PairSpinSocDmi::init_one(int i, int j)
    
    if (setflag[i][j] == 0) error->all(FLERR,"All pair coeffs are not set");
 
-  return cut_spin_dmi_global;
+  return cut_soc_global;
 }
 
 /* ----------------------------------------------------------------------
@@ -354,12 +351,12 @@ void PairSpinSocDmi::write_restart(FILE *fp)
     for (j = i; j <= atom->ntypes; j++) {
       fwrite(&setflag[i][j],sizeof(int),1,fp);
       if (setflag[i][j]) {
-        if (dmi_flag) {
+        if (soc_dmi_flag) {
           fwrite(&DM[i][j],sizeof(double),1,fp);
           fwrite(&v_dmx[i][j],sizeof(double),1,fp);
           fwrite(&v_dmy[i][j],sizeof(double),1,fp);
           fwrite(&v_dmz[i][j],sizeof(double),1,fp);
-          fwrite(&cut_spin_dmi[i][j],sizeof(double),1,fp);
+          fwrite(&cut_soc_dmi[i][j],sizeof(double),1,fp);
         } 
       }
     }
@@ -387,13 +384,13 @@ void PairSpinSocDmi::read_restart(FILE *fp)
           fread(&v_dmx[i][j],sizeof(double),1,fp);
           fread(&v_dmy[i][j],sizeof(double),1,fp);
           fread(&v_dmz[i][j],sizeof(double),1,fp);
-          fread(&cut_spin_dmi[i][j],sizeof(double),1,fp);
+          fread(&cut_soc_dmi[i][j],sizeof(double),1,fp);
         }
         MPI_Bcast(&DM[i][j],1,MPI_DOUBLE,0,world);
         MPI_Bcast(&v_dmx[i][j],1,MPI_DOUBLE,0,world);
         MPI_Bcast(&v_dmy[i][j],1,MPI_DOUBLE,0,world);
         MPI_Bcast(&v_dmz[i][j],1,MPI_DOUBLE,0,world);
-        MPI_Bcast(&cut_spin_dmi[i][j],1,MPI_DOUBLE,0,world);
+        MPI_Bcast(&cut_soc_dmi[i][j],1,MPI_DOUBLE,0,world);
       }
     }
   }
@@ -406,7 +403,7 @@ void PairSpinSocDmi::read_restart(FILE *fp)
 
 void PairSpinSocDmi::write_restart_settings(FILE *fp)
 {
-  fwrite(&cut_spin_dmi_global,sizeof(double),1,fp);
+  fwrite(&cut_soc_global,sizeof(double),1,fp);
   fwrite(&offset_flag,sizeof(int),1,fp);
   fwrite(&mix_flag,sizeof(int),1,fp);
 }
@@ -418,11 +415,11 @@ void PairSpinSocDmi::write_restart_settings(FILE *fp)
 void PairSpinSocDmi::read_restart_settings(FILE *fp)
 {
   if (comm->me == 0) {
-    fread(&cut_spin_dmi_global,sizeof(double),1,fp);
+    fread(&cut_soc_global,sizeof(double),1,fp);
     fread(&offset_flag,sizeof(int),1,fp);
     fread(&mix_flag,sizeof(int),1,fp);
   }
-  MPI_Bcast(&cut_spin_dmi_global,1,MPI_DOUBLE,0,world);
+  MPI_Bcast(&cut_soc_global,1,MPI_DOUBLE,0,world);
   MPI_Bcast(&offset_flag,1,MPI_INT,0,world);
   MPI_Bcast(&mix_flag,1,MPI_INT,0,world); 
 }
diff --git a/src/SPIN/pair_spin_soc_dmi.h b/src/SPIN/pair_spin_soc_dmi.h
index 627001135e..8097b5ae14 100755
--- a/src/SPIN/pair_spin_soc_dmi.h
+++ b/src/SPIN/pair_spin_soc_dmi.h
@@ -39,12 +39,13 @@ class PairSpinSocDmi : public Pair {
   void write_restart_settings(FILE *);
   void read_restart_settings(FILE *);
   
-  void compute_dmi(int, int, double fmi[3], double fmj[3], double spi[3], double spj[3]);
+  void compute_soc_dmi(int, int, double fmi[3], double spi[3], double spj[3]);
+  void compute_soc_dmi_mech(int, int, double fi[3], double spi[3], double spj[3]);
  
-  int dmi_flag;				// dmi flag
+  int soc_dmi_flag;			// dmi flag
 
-  double cut_spin_dmi_global;		// short range pair cutoff
-  double **cut_spin_dmi;      		// cutoff distance dmi
+  double cut_soc_global;		// short range pair cutoff
+  double **cut_soc_dmi;      		// cutoff distance dmi
 
  protected:
   int newton_pair_spin; 
diff --git a/src/SPIN/pair_spin_soc_neel.cpp b/src/SPIN/pair_spin_soc_neel.cpp
index 94ac35848b..6952e0334a 100755
--- a/src/SPIN/pair_spin_soc_neel.cpp
+++ b/src/SPIN/pair_spin_soc_neel.cpp
@@ -42,11 +42,9 @@ PairSpinSocNeel::PairSpinSocNeel(LAMMPS *lmp) : Pair(lmp)
 {
   hbar = force->hplanck/MY_2PI;
 
-  newton_pair_spin = 0; // no newton pair for now => to be corrected
- // newton_pair = 0;
-
   single_enable = 0;
-  soc_neel_flag = 0; 
+  soc_neel_flag = 0;
+  soc_mech_flag = 0; 
 
   no_virial_fdotr_compute = 1;
 }
@@ -74,10 +72,9 @@ void PairSpinSocNeel::compute(int eflag, int vflag)
 {
   int i,j,ii,jj,inum,jnum,itype,jtype;  
   double evdwl,ecoul;
-  double xi[3], rij[3];
+  double xi[3], rij[3], eij[3];
   double spi[3], spj[3];
-  double fi[3], fj[3];
-  double fmi[3], fmj[3];
+  double fi[3], fmi[3];
   double cut_soc_neel_2, cut_soc_global2;
   double rsq, rd, inorm;
   int *ilist,*jlist,*numneigh,**firstneigh;  
@@ -128,9 +125,7 @@ void PairSpinSocNeel::compute(int eflag, int vflag)
       evdwl = 0.0;
 
       fi[0] = fi[1] = fi[2] = 0.0;
-      fj[0] = fj[1] = fj[2] = 0.0;
       fmi[0] = fmi[1] = fmi[2] = 0.0;
-      fmj[0] = fmj[1] = fmj[2] = 0.0;
       rij[0] = rij[1] = rij[2] = 0.0;
      
       rij[0] = x[j][0] - xi[0];
@@ -138,9 +133,9 @@ void PairSpinSocNeel::compute(int eflag, int vflag)
       rij[2] = x[j][2] - xi[2];
       rsq = rij[0]*rij[0] + rij[1]*rij[1] + rij[2]*rij[2]; 
       inorm = 1.0/sqrt(rsq);
-      rij[0] *= inorm;
-      rij[1] *= inorm;
-      rij[2] *= inorm;
+      eij[0] = rij[0]*inorm;
+      eij[1] = rij[1]*inorm;
+      eij[2] = rij[2]*inorm;
 
       itype = type[i];
       jtype = type[j];
@@ -149,8 +144,8 @@ void PairSpinSocNeel::compute(int eflag, int vflag)
 
       cut_soc_neel_2 = cut_soc_neel[itype][jtype]*cut_soc_neel[itype][jtype];
       if (rsq <= cut_soc_neel_2) {
-        compute_soc_neel(i,j,rsq,rij,fmi,fmj,spi,spj);   
-        compute_soc_mech_neel(i,j,rsq,rij,fi,fj,spi,spj);
+        compute_soc_neel(i,j,rsq,eij,fmi,spi,spj);   
+        compute_soc_mech_neel(i,j,rsq,eij,fi,spi,spj);
       }
 
       f[i][0] += fi[0];	 
@@ -160,21 +155,16 @@ void PairSpinSocNeel::compute(int eflag, int vflag)
       fm[i][1] += fmi[1];	  	  
       fm[i][2] += fmi[2];
 
-//      if (newton_pair || j < nlocal) {  //  => to be corrected
-      if (newton_pair_spin) {
-	f[j][0] += fj[0];	 
-        f[j][1] += fj[1];	  	  
-        f[j][2] += fj[2];
-        fm[j][0] += fmj[0];	 
-        fm[j][1] += fmj[1];	  	  
-        fm[j][2] += fmj[2];
+      // check newton pair  =>  see if needs correction
+      if (newton_pair || j < nlocal) {
+	f[j][0] -= fi[0];	 
+        f[j][1] -= fi[1];	  	  
+        f[j][2] -= fi[2];
       }
- 
+
       if (eflag) {
 	if (rsq <= cut_soc_neel_2) {
-	  evdwl -= spi[0]*fmi[0];
-	  evdwl -= spi[1]*fmi[1];
-	  evdwl -= spi[2]*fmi[2];
+	  evdwl -= (spi[0]*fmi[0] + spi[1]*fmi[1] + spi[2]*fmi[2]);
 	  evdwl *= hbar;
 	} else evdwl = 0.0;
       }
@@ -190,11 +180,12 @@ void PairSpinSocNeel::compute(int eflag, int vflag)
 
 /* ---------------------------------------------------------------------- */
 
-void PairSpinSocNeel::compute_soc_neel(int i, int j, double rsq, double rij[3], double fmi[3],  double fmj[3], double spi[3], double spj[3])
+void PairSpinSocNeel::compute_soc_neel(int i, int j, double rsq, double eij[3], double fmi[3],  double spi[3], double spj[3])
 {
   int *type = atom->type;  
   int itype, jtype;
-  double Kij, Kij_3, ra, scalar;
+  double Kij, Kij_3, ra;
+  double scalar_i, scalar_j;
   itype = type[i];
   jtype = type[j];
           
@@ -203,60 +194,55 @@ void PairSpinSocNeel::compute_soc_neel(int i, int j, double rsq, double rij[3],
   Kij *= (1.0-K2[itype][jtype]*ra);
   Kij *= exp(-ra);
 
-  scalar = rij[0]*spj[0]+rij[1]*spj[1]+rij[2]*spj[2];
+  scalar_i = eij[0]*spj[0]+eij[1]*spj[1]+eij[2]*spj[2];
+  scalar_j = eij[0]*spi[0]+eij[1]*spi[1]+eij[2]*spi[2];
   Kij_3 = Kij/3.0;
 
-  fmi[0] -= Kij*scalar*rij[0] - Kij_3*spj[0];
-  fmi[1] -= Kij*scalar*rij[1] - Kij_3*spj[1];
-  fmi[2] -= Kij*scalar*rij[2] - Kij_3*spj[2];
-          
-  fmj[0] += Kij*scalar*rij[0] + Kij_3*spi[0];
-  fmj[1] += Kij*scalar*rij[1] + Kij_3*spi[1];
-  fmj[2] += Kij*scalar*rij[2] + Kij_3*spi[2];
+  fmi[0] += Kij*scalar_i*eij[0] - Kij_3*spj[0];
+  fmi[1] += Kij*scalar_i*eij[1] - Kij_3*spj[1];
+  fmi[2] += Kij*scalar_i*eij[2] - Kij_3*spj[2];
 
 }
 
 /* ---------------------------------------------------------------------- */
 
-void PairSpinSocNeel::compute_soc_mech_neel(int i, int j, double rsq, double rij[3], double fi[3],  double fj[3], double spi[3], double spj[3])
+void PairSpinSocNeel::compute_soc_mech_neel(int i, int j, double rsq, double eij[3], double fi[3],  double spi[3], double spj[3])
 {
   int *type = atom->type;  
   int itype, jtype;
-  double scalar_si_sj, scalar_rij_si, scalar_rij_sj;
+  double scalar_si_sj, scalar_eij_si, scalar_eij_sj;
   double K_mech, Kij, dKij, ra, rr, drij, iK3;
   double t1, t2, t3;
   itype = type[i];
   jtype = type[j];
 
+  drij = sqrt(rsq);
+
   scalar_si_sj = spi[0]*spj[0]+spi[1]*spj[1]+spi[2]*spj[2];
-  scalar_rij_si = rij[0]*spi[0]+rij[1]*spi[1]+rij[2]*spi[2];
-  scalar_rij_sj = rij[0]*spj[0]+rij[1]*spj[1]+rij[2]*spj[2];
+  scalar_eij_si = eij[0]*spi[0]+eij[1]*spi[1]+eij[2]*spi[2];
+  scalar_eij_sj = eij[0]*spj[0]+eij[1]*spj[1]+eij[2]*spj[2];
 
   K_mech = K1_mech[itype][jtype];        
   iK3 = 1.0/(K3[itype][jtype]*K3[itype][jtype]);
 
-  drij = sqrt(rsq);
   ra = rsq*iK3; 
   rr = drij*iK3;
 
+  Kij = 4.0*K_mech*ra;
   Kij *= (1.0-K2[itype][jtype]*ra);
-  Kij *= 4.0*K_mech*ra*exp(-ra);
+  Kij *= exp(-ra);
 
   dKij = 1.0-ra-K2[itype][jtype]*ra*(2.0-ra);
   dKij *= 8.0*K_mech*rr*exp(-ra);
 
-  t1 = (dKij-2.0*Kij/drij)*scalar_rij_si*scalar_rij_sj;
+  t1 = (dKij-2.0*Kij/drij)*scalar_eij_si*scalar_eij_sj;
   t1 -= scalar_si_sj*dKij/3.0;
-  t2 = scalar_rij_sj*Kij/drij;
-  t3 = scalar_rij_si*Kij/drij;
+  t2 = scalar_eij_sj*Kij/drij;
+  t3 = scalar_eij_si*Kij/drij;
 
-  fi[0] += t1*rij[0]+t2*spi[0]+t3*spj[0];
-  fi[1] += t1*rij[1]+t2*spi[1]+t3*spj[1];
-  fi[2] += t1*rij[2]+t2*spi[2]+t3*spj[2];
-          
-  fj[0] -= t1*rij[0]-t2*spi[0]-t3*spj[0];
-  fj[1] -= t1*rij[1]-t2*spi[1]-t3*spj[1];
-  fj[2] -= t1*rij[2]-t2*spi[2]-t3*spj[2];
+  fi[0] -= (t1*eij[0] + t2*spi[0] + t3*spj[0]);
+  fi[1] -= (t1*eij[1] + t2*spi[1] + t3*spj[1]);
+  fi[2] -= (t1*eij[2] + t2*spi[2] + t3*spj[2]);
 
 }
 
@@ -274,13 +260,13 @@ void PairSpinSocNeel::allocate()
     for (int j = i; j <= n; j++)
       setflag[i][j] = 0;
       
-  memory->create(cut_soc_neel,n+1,n+1,"pair:cut_soc_neel");
-  memory->create(K1,n+1,n+1,"pair:K1");
-  memory->create(K1_mech,n+1,n+1,"pair:K1_mech");
-  memory->create(K2,n+1,n+1,"pair:K2");  
-  memory->create(K3,n+1,n+1,"pair:K3");
+  memory->create(cut_soc_neel,n+1,n+1,"pair/spin/soc/neel:cut_soc_neel");
+  memory->create(K1,n+1,n+1,"pair/spin/soc/neel:K1");
+  memory->create(K1_mech,n+1,n+1,"pair/spin/soc/neel:K1_mech");
+  memory->create(K2,n+1,n+1,"pair/spin/soc/neel:K2");  
+  memory->create(K3,n+1,n+1,"pair/spin/soc/neel:K3");
  
-  memory->create(cutsq,n+1,n+1,"pair:cutsq");  
+  memory->create(cutsq,n+1,n+1,"pair/spin/soc/neel:cutsq");  
   
 }
 
@@ -302,11 +288,13 @@ void PairSpinSocNeel::settings(int narg, char **arg)
 
   if (allocated) {
     int i,j;
-    for (i = 1; i <= atom->ntypes; i++)
-      for (j = i+1; j <= atom->ntypes; j++)
-        if (setflag[i][j]) {
-          cut_soc_neel[i][j] = cut_soc_global;
+    for (i = 1; i <= atom->ntypes; i++) {
+      for (j = i+1; j <= atom->ntypes; j++) {
+	if (setflag[i][j]) {
+	  cut_soc_neel[i][j] = cut_soc_global;
         }
+      }
+    }
   }
    
 }
@@ -321,12 +309,12 @@ void PairSpinSocNeel::coeff(int narg, char **arg)
 
   if (!allocated) allocate();
   
-  // set mech_flag to 1 if magneto-mech simulation
+  // set soc_mech_flag to 1 if magneto-mech simulation
   //no longer correct: can be hybrid without magneto-mech => needs review/correction
   if (strstr(force->pair_style,"pair/spin")) {
-    mech_flag = 0;
+    soc_mech_flag = 0;
   } else if (strstr(force->pair_style,"hybrid/overlay")) {
-    mech_flag = 1;
+    soc_mech_flag = 1;
   } else error->all(FLERR,"Incorrect args in pair_style command");
 
 
@@ -348,7 +336,7 @@ void PairSpinSocNeel::coeff(int narg, char **arg)
       for (int j = MAX(jlo,i); j <= jhi; j++) {
         cut_soc_neel[i][j] = rij;   
         K1[i][j] = k1/hbar;
-	if (mech_flag) {
+	if (soc_mech_flag) {
 	  K1_mech[i][j] = k1;
 	} else {
 	  K1_mech[i][j] = 0.0;
@@ -376,12 +364,9 @@ void PairSpinSocNeel::init_style()
   neighbor->request(this,instance_me);
 
   // check this half/full request  => to be verified
-#define FULLNEI
-#if defined FULLNEI
   int irequest = neighbor->request(this,instance_me);
   neighbor->requests[irequest]->half = 0;
   neighbor->requests[irequest]->full = 1;
-#endif
 
 }
 
diff --git a/src/SPIN/pair_spin_soc_neel.h b/src/SPIN/pair_spin_soc_neel.h
index 4584ddb9eb..ee675b36c7 100755
--- a/src/SPIN/pair_spin_soc_neel.h
+++ b/src/SPIN/pair_spin_soc_neel.h
@@ -39,17 +39,17 @@ class PairSpinSocNeel : public Pair {
   void write_restart_settings(FILE *);
   void read_restart_settings(FILE *);
   
-  void compute_soc_neel(int, int, double, double rij[3], double fmi[3], double fmj[3],double spi[3], double spj[3]);
-  void compute_soc_mech_neel(int, int, double, double rij[3], double fi[3], double fj[3],double spi[3], double spj[3]);
+  void compute_soc_neel(int, int, double, double eij[3], double fmi[3], double spi[3], double spj[3]);
+  void compute_soc_mech_neel(int, int, double, double eij[3], double fi[3], double spi[3], double spj[3]);
  
   int soc_neel_flag;		// soc neel flag
-  int mech_flag; 		// mech calc. flag
+  int soc_mech_flag; 		// mech calculation flag
 
   double cut_soc_global;
   double **cut_soc_neel;	// cutoff distance exchange
 
  protected:
-  int newton_pair_spin; 
+  //int newton_pair_spin; 
   double hbar;
 
   double **K1, **K1_mech; 	// exchange coeffs Kij
diff --git a/src/atom.h b/src/atom.h
index 285f067e24..b0641f6381 100644
--- a/src/atom.h
+++ b/src/atom.h
@@ -152,6 +152,7 @@ class Atom : protected Pointers {
   int dpd_flag,edpd_flag,tdpd_flag;
 
   //USER-SPIN package
+
   int mumag_flag,sp_flag;
 
   // USER-SMD package