Dear CP2K developers,<br><br>  I am trying to run a real-time propagation under DDAPC charge constraint. It seems to me that the following lines of codes in "qs_ks_methods.F" are still executed, and thus update the ks_env%v_hartree_rspace to apply the constraint. Am I right ?<br>
<br>  Thanks.<br><br>Hanning<br><br><br>"qs_ks_methods.F"<br><br>      ! In case decouple periodic images and/or apply restraints to charges<br>       IF (do_ddapc) THEN<br>          CALL qs_ks_ddapc(qs_env, auxbas_pw_pool, rho_tot_gspace, v_hartree_gspace,&<br>
               v_spin_ddapc_rest_r, energy, calculate_forces, ks_env, ks_matrix,    &<br>               just_energy, ddapc_restraint_is_spin, explicit_potential, error)<br>       ELSE<br>          explicit_potential      = .FALSE.<br>
          ddapc_restraint_is_spin = .FALSE.<br>          IF (.NOT. just_energy) THEN<br>             CALL pw_transfer(v_hartree_gspace%pw, ks_env%v_hartree_rspace%pw, error=error)<br>             CALL pw_scale(ks_env%v_hartree_rspace%pw, ks_env%v_hartree_rspace%pw%pw_grid%dvol,&<br>
                  error=error)<br>          END IF<br>       END IF<br><br>