anchor.diff:    colloids%pos(2,3) = colloids%pos(2,3) + link_d(2)*sin(link_angle)
     
     call n_solvent_el%create_time(hfile%observables, 'n_solvent', &
  -       n_solvent, H5MD_LINEAR, step=N_MD_steps, &
  +       n_solvent, ior(H5MD_LINEAR, H5MD_STORE_TIME), step=N_MD_steps, &
          time=N_MD_steps*dt)
   
     call h5gcreate_f(dimer_io%group, 'box', box_group, error)
  
positive.code:         call bulk_reaction(solvent, solvent_cells, 2, 1, bulk_rate(2), tau, state)
       end if
  
       n_solvent = 0
       do k = 1, solvent%Nmax
          j = solvent%species(k)
          if (j <= 0) continue
          n_solvent(j) = n_solvent(j) + 1
       end do
       call n_solvent_el%append(n_solvent)
  
  
    end do
    call main%tac()
    write(*,*) ''
  
    write(*,*) 'n extra sorting', n_extra_sorting
  
    ! create a group for block correlators and write the data
  
  
negative.code: 
    double precision :: e1, e2, e3
    double precision :: tau, dt , T
    double precision :: skin, co_max, so_max
    integer :: N_MD_steps, N_loop
    integer :: n_extra_sorting
  