remove usage of input_parameters variables in add_qexsd_step

Modules/control_flags.f90

@@ -39,7 +39,7 @@ MODULE control_flags
             tnosee, tnosep, tnoseh, tcp, tcap,                               &
             tconvthrs, tolp, convergence_criteria, tionstep, nstepe,         &
             tscreen, gamma_only, force_pairing, lecrpa, tddfpt, smallmem,    &
-            tfirst, tlast, tprint, trescalee 
+            tfirst, tlast, tprint, trescalee, max_xml_steps  
   !
   PUBLIC :: fix_dependencies, check_flags
   PUBLIC :: tksw, trhor, thdyn, trhow
@@ -97,6 +97,7 @@ MODULE control_flags
   INTEGER :: ndr    = 0 !
   INTEGER :: nomore = 0 !
   INTEGER :: iprint =10 ! print output every iprint step
+  INTEGER  :: max_xml_steps =0 ! max number of dynamics included in xml file if 0 all steps are included. 
   INTEGER :: isave  = 0 ! write restart to ndr unit every isave step
   !
   ! ... .TRUE. if only gamma point is used

PW/src/add_qexsd_step.f90

@@ -27,7 +27,7 @@ USE force_mod,    ONLY: force, sigma
 USE control_flags,ONLY: nstep, n_scf_steps, scf_error, conv_elec
 USE fcp_variables,ONLY: fcp_mu, lfcpopt, lfcpdyn 
 USE extfield,     ONLY: gate, etotgatefield, tefield, etotefield   
-USE input_parameters, ONLY: max_xml_steps 
+USE control_flags, ONLY: max_xml_steps 
 !-----------------------------------------------------------------------------
 !   END_GLOBAL_VARIABLES
 !----------------------------------------------------------------------------- 
@@ -58,13 +58,12 @@ INTEGER                     :: stride = 1, max_xml_steps_
 
 IF ( max_xml_steps > 0 ) THEN 
    stride = nstep/max_xml_steps 
+   IF (nstep/stride > max_xml_steps) stride = stride+1 
    max_xml_steps_ = max_xml_steps+2
 ELSE 
    max_xml_steps_ = nstep 
 END IF 
-
-IF (.NOT. ( i_step == 1 .OR. MOD(i_step-1, stride) == 0 .OR. i_step == nstep)) RETURN 
-
+IF (.NOT. ( i_step == 1 .OR. MOD(i_step-1, stride) == 0 .OR. i_step == nstep)) RETURN  
 NULLIFY(potstat_contr_ptr, fcp_force_ptr, fcp_tot_charge_ptr, demet_ptr, degauss_ptr, &
         gatefield_en_ptr, efield_corr_ptr)
 !

PW/src/input.f90

@@ -166,7 +166,8 @@ SUBROUTINE iosys()
                             ts_vdw_           => ts_vdw, &
                             lecrpa_           => lecrpa, &
                             scf_must_converge_=> scf_must_converge, & 
-                            treinit_gvecs_    => treinit_gvecs 
+                            treinit_gvecs_    => treinit_gvecs, &  
+                            max_xml_steps_    => max_xml_steps 
   USE check_stop,    ONLY : max_seconds_ => max_seconds
   !
   USE wvfct,         ONLY : nbnd_ => nbnd
@@ -220,7 +221,7 @@ SUBROUTINE iosys()
                                gdir, nppstr, wf_collect,lelfield,lorbm,efield, &
                                nberrycyc, efield_cart, lecrpa,                 &
                                vdw_table_name, memory, max_seconds, tqmmm,     &
-                               efield_phase, gate
+                               efield_phase, gate, max_xml_steps
 
   !
   ! ... SYSTEM namelist
@@ -1164,6 +1165,7 @@ SUBROUTINE iosys()
   pseudo_dir_ = trimcheck( pseudo_dir )
   nstep_      = nstep
   iprint_     = iprint
+  max_xml_steps_ = max_xml_steps
   lecrpa_     = lecrpa
   scf_must_converge_ = scf_must_converge
   !

PW/src/make.depend

@@ -58,7 +58,6 @@ add_qexsd_step.o : ../../Modules/cell_base.o
 add_qexsd_step.o : ../../Modules/constants.o
 add_qexsd_step.o : ../../Modules/control_flags.o
 add_qexsd_step.o : ../../Modules/fcp_variables.o
-add_qexsd_step.o : ../../Modules/input_parameters.o
 add_qexsd_step.o : ../../Modules/ions_base.o
 add_qexsd_step.o : ../../Modules/kind.o
 add_qexsd_step.o : ../../Modules/qexsd.o