diff --git a/source/common/torque.f90 b/source/common/torque.f90 index 7c13b87bea2ae59919ca1dbe619579f551de5836..bee67e8c6a9058b393bc22fdbf0752d47d5d7088 100644 --- a/source/common/torque.f90 +++ b/source/common/torque.f90 @@ -264,9 +264,9 @@ contains bfield%bfield_constr(iatom,:) = c_old - dot_product(c_old,magdir_old)*magdir_old - (magdir_it - dot_product(magdir_it,magdir_old)*magdir_old)*bfac end if if (t_inc%i_write>1) write(1337,'(" itscf, iatom, ibfield_constr, bfield_constr= ",3i4,100f16.8)') t_inc%i_iteration, iatom ,bfield%ibfield_constr , bfield%bfield_constr(iatom,:) - ! MdSD: constraining fields - bconstr(1:3) = bfield%bfield_constr(iatom,:) end if + ! MdSD: constraining fields + bconstr(1:3) = bfield%bfield_constr(iatom,:) !if(density%magmomentfixed == 6) then ! constraining fields ! temp2 = 0.d0 ! do ilm=1,lmmax