Merge of two bugfixed from Eduardo.

Saving the constraint fields gave wrong output, because the write statement was outside of a loop it belongs to.

The torque used to update the constraint fields was always the one calculated over the full cell, never the one calculated only up to the muffin tin radius, regradles of the setting.

source/KKRnano/source/ProcessKKRresults_mod.F90

@@ -1172,11 +1172,11 @@ module ProcessKKRresults_mod
             calc%noco_data%moment_z(atom_id)
         irec = irec + 1
       endif
+      if (params%noncobfield) then
+        write(unit=r1fu, rec=irec) calc%bfields(ila)%bfield_constr
+        irec = irec + 1
+      end if
     end do
-    if (params%noncobfield) then
-      write(unit=r1fu, rec=irec) calc%bfields(ila)%bfield_constr
-      irec = irec + 1
-    end if
 
     close(r1fu)
 

source/KKRnano/source/bfield/torque.f90

@@ -161,7 +161,7 @@ contains
     ! Scf-cycle for constraint fields, based either on torque or on fields alone
     if (lbfield_constr .and. itscf0 <= iteration .and. iteration <= itscf1) then
       if (constr_mode == 3) then
-        bfield%bfield_constr(:) = bfield%bfield_constr(:) - torque(:) / mag_mom_len
+        bfield%bfield_constr(:) = bfield%bfield_constr(:) - bfield%mag_torque(:) / mag_mom_len
       else if (constr_mode == 2) then
         old_b_constr = bfield%bfield_constr(:)
         bfield%bfield_constr(:) = old_b_constr - dot_product(old_b_constr,dir)*dir - &