Index: palm/trunk/TESTS/cases/urban_environment/INPUT/urban_environment_p3d
===================================================================
--- palm/trunk/TESTS/cases/urban_environment/INPUT/urban_environment_p3d	(revision 3581)
+++ palm/trunk/TESTS/cases/urban_environment/INPUT/urban_environment_p3d	(revision 3632)
@@ -30,5 +30,6 @@
 !-- Initialization
 !------------------------------------------------------------------------------
-    initializing_actions = 'inifor',   !'set_constant_profiles', or 'inifor',
+    initializing_actions = 'inifor set_constant_profiles',   !'set_constant_profiles', or 'inifor', 
+                                                             ! or both (met. from inifor, chem constant profiles)
 
     pt_surface           = 277.15,
@@ -90,9 +91,10 @@
     data_output_pr        = '#u',  'u*2',  'wu',  'w*u*',  'w"u"',
                             '#v',  'v*2',  'wv',  'w*v*',  'w"v"',
-                            'w',   'w*2',
+!                            'w',   'w*2',
                             '#theta', 'theta*2', 'wtheta', 'w*theta*', 'w"theta"',
                             '#q',  'q*2',
                             'e', 'e*', '#km', '#l',
                             '#t_soil', '#m_soil', 'rad_lw_in', 'rad_lw_out',
+                            'kc_NO', 'kc_NO2', 'kc_O3', 'kc_PM10', 
 !
 !-- 2D/3D output settings
@@ -127,7 +129,6 @@
                   'tsurf*_xy', 'tsurf*_xy_av',
                   'pcm_lad', 'pcm_heatrate',
-                  'kc_PM10', 'kc_PM25', 'kc_PM10_av', 'kc_PM25_av',
-
-
+                  'kc_NO', 'kc_NO2', 'kc_O3', 'kc_PM10', 
+                  'kc_NO_av', 'kc_NO2_av', 'kc_O3_av', 'kc_PM10_av', 
 
  / ! end of d3par namelist
@@ -206,21 +207,43 @@
  &chemistry_parameters
 
-    chem_gasphase_on           = .F.,
+    chem_gasphase_on           = .T.,
+    call_chem_at_all_substeps  = .FALSE.,
     
-    do_emis                    = .T.,
-    mode_emis                  = 'PARAMETERIZED',
-    surface_csflux_name        = 'PM10','PM25',  !"cs" stands for chemical species
-    surface_csflux             = 0.75, 0.375,    !surface emission of PM10, PM25 (arbitrary units)
-    cs_name                    = 'PM10','PM25',
-    cs_surface                 = 2.0, 1.0,       !surface concentration of PM10, PM25 (arbitrary units)
+    photolysis_scheme          = 'simple',
+
+    cs_name                    = 'NO', 'NO2', 'O3', 'PM10',
+    cs_surface                 = 0.02,  0.03, 0.02, 25.0e-9,   ! surface concentration of PM10, PM25 in kg m-3, 
+                                                               ! units for gases in ppm   
+!-- initial profiles (also for lateral boundaries if 'set_constant_profiles' is chosen)
+!-- units for PM: kg m-3, units for gases: ppm
+    cs_profile(1,:)            =  0.020, 0.020, 0.015, 0.015, 0.015, 0.010, 0.010, 0.010, 0.010, 0.010, 0.007,
+    cs_profile(2,:)            =  0.030, 0.030, 0.020, 0.020, 0.020, 0.015, 0.015, 0.015, 0.015, 0.015, 0.010,
+    cs_profile(3,:)            =  0.020, 0.020, 0.050, 0.050, 0.050, 0.050, 0.050, 0.050, 0.050, 0.050, 0.050,
+    cs_profile(1,:)            =  25.e-09, 25.e-09, 23.0e-09, 23.e-09, 23.e-09, 23.e-09, 23.e-09, 23.e-09, 22.e-09, 22.e-09, 22.0e-09, 
+
+    cs_heights(1,:)            =  0.0,   5.0,   15.0,   25.0,  35.0,  45.0,  55.0,  65.0,  75.0,  85.0, 95.0,
+    cs_heights(2,:)            =  0.0,   5.0,   15.0,   25.0,  35.0,  45.0,  55.0,  65.0,  75.0,  85.0, 95.0,
+    cs_heights(3,:)            =  0.0,   5.0,   15.0,   25.0,  35.0,  45.0,  55.0,  65.0,  75.0,  85.0, 95.0,
+    cs_heights(4,:)            =  0.0,   5.0,   15.0,   25.0,  35.0,  45.0,  55.0,  65.0,  75.0,  85.0, 95.0,
+
     bc_cs_b                    = 'neumann',
     bc_cs_t                    = 'neumann',
     
-!-- for emission depending on street type in static driver
-    emiss_factor_main = 1.667, 1.667,   !emiss_factor_main*surface_csflux for emission on main streets
-    emiss_factor_side = 0.334, 0.334,   !emiss_factor_side*surface_csflux for emission on side streets
-    main_street_id = 12,          !id is for identifying main/side streets (see chem_emissions in chemistry_model_mod.f90)
+    do_emis                    = .T.,
+    mode_emis                  = 'PARAMETERIZED',  ! emission depending on street type from static driver
+    surface_csflux_name        = 'NO',   'NO2',  'PM10',   !"cs" stands for chemical species
+    surface_csflux             = 4745.0, 1326.0, 2700.e-09,! surface emission of PM10, PM25 in kg m-2 d-1, 
+                                                           ! for gases in umol m-2 d-1 for PARAMETERIZED 
+    emiss_factor_main          = 1.667,  1.667,  1.667,    ! emiss_factor_main*surface_csflux for emission on main streets
+    emiss_factor_side          = 0.334,  0.334,  0.334,    !emiss_factor_side*surface_csflux for emission on side streets
+    main_street_id = 12,       ! id is for identifying main/side streets (see chem_emissions in chemistry_model_mod.f90)
     side_street_id =  8,
-    max_street_id = 19,
+    max_street_id  = 19,
+
+! -- KPP solver steering. For details  see comments in chem_gasphase_mod.f90, SUBROUTINE rosenbrock 
+!                         (or other solver subroutine, if another solver is chosen)
+    icntrl(3)                  = 1,   ! solver ros2
+    icntrl(4)                  = 500, ! max. number of chem-substeps
+    rcntrl(3)                  = 0.1, ! Hstart,starting value for the integration step size
 
  / ! end of chemistry_par namelist
Index: palm/trunk/TESTS/cases/urban_environment/case_config.yml
===================================================================
--- palm/trunk/TESTS/cases/urban_environment/case_config.yml	(revision 3581)
+++ palm/trunk/TESTS/cases/urban_environment/case_config.yml	(revision 3632)
@@ -16,5 +16,5 @@
 
 significant_digits_for_netcdf_checks:
-  timeseries: 6
-  profiles: 6
-  other: 8
+  timeseries: 5
+  profiles: 5
+  other: 2
Index: palm/trunk/TESTS/cases/urban_environment_restart/INPUT/urban_environment_restart_p3dr
===================================================================
--- palm/trunk/TESTS/cases/urban_environment_restart/INPUT/urban_environment_restart_p3dr	(revision 3581)
+++ palm/trunk/TESTS/cases/urban_environment_restart/INPUT/urban_environment_restart_p3dr	(revision 3632)
@@ -90,9 +90,10 @@
     data_output_pr        = '#u',  'u*2',  'wu',  'w*u*',  'w"u"',
                             '#v',  'v*2',  'wv',  'w*v*',  'w"v"',
-                            'w',   'w*2',
+!                            'w',   'w*2',
                             '#theta', 'theta*2', 'wtheta', 'w*theta*', 'w"theta"',
                             '#q',  'q*2',
                             'e', 'e*', '#km', '#l',
                             '#t_soil', '#m_soil', 'rad_lw_in', 'rad_lw_out',
+                            'kc_NO', 'kc_NO2', 'kc_O3', 'kc_PM10', 
 !
 !-- 2D/3D output settings
@@ -127,7 +128,6 @@
                   'tsurf*_xy', 'tsurf*_xy_av',
                   'pcm_lad', 'pcm_heatrate',
-                  'kc_PM10', 'kc_PM25', 'kc_PM10_av', 'kc_PM25_av',
-
-
+                  'kc_NO', 'kc_NO2', 'kc_O3', 'kc_PM10', 
+                  'kc_NO_av', 'kc_NO2_av', 'kc_O3_av', 'kc_PM10_av', 
 
  / ! end of d3par namelist
@@ -206,21 +206,43 @@
  &chemistry_parameters
 
-    chem_gasphase_on           = .F.,
+    chem_gasphase_on           = .T.,
+    call_chem_at_all_substeps  = .FALSE.,
     
-    do_emis                    = .T.,
-    mode_emis                  = 'PARAMETERIZED',
-    surface_csflux_name        = 'PM10','PM25',  !"cs" stands for chemical species
-    surface_csflux             = 0.75, 0.375,    !surface emission of PM10, PM25 (arbitrary units)
-    cs_name                    = 'PM10','PM25',
-    cs_surface                 = 2.0, 1.0,       !surface concentration of PM10, PM25 (arbitrary units)
+    photolysis_scheme          = 'simple',
+
+    cs_name                    = 'NO', 'NO2', 'O3', 'PM10',
+    cs_surface                 = 0.02,  0.03, 0.02, 25.0e-9,   ! surface concentration of PM10, PM25 in kg m-3, 
+                                                               ! units for gases in ppm   
+!-- initial profiles (also for lateral boundaries if 'set_constant_profiles' is chosen)
+!-- units for PM: kg m-3, units for gases: ppm
+    cs_profile(1,:)            =  0.020, 0.020, 0.015, 0.015, 0.015, 0.010, 0.010, 0.010, 0.010, 0.010, 0.007,
+    cs_profile(2,:)            =  0.030, 0.030, 0.020, 0.020, 0.020, 0.015, 0.015, 0.015, 0.015, 0.015, 0.010,
+    cs_profile(3,:)            =  0.020, 0.020, 0.050, 0.050, 0.050, 0.050, 0.050, 0.050, 0.050, 0.050, 0.050,
+    cs_profile(1,:)            =  25.e-09, 25.e-09, 23.0e-09, 23.e-09, 23.e-09, 23.e-09, 23.e-09, 23.e-09, 22.e-09, 22.e-09, 22.0e-09, 
+
+    cs_heights(1,:)            =  0.0,   5.0,   15.0,   25.0,  35.0,  45.0,  55.0,  65.0,  75.0,  85.0, 95.0,
+    cs_heights(2,:)            =  0.0,   5.0,   15.0,   25.0,  35.0,  45.0,  55.0,  65.0,  75.0,  85.0, 95.0,
+    cs_heights(3,:)            =  0.0,   5.0,   15.0,   25.0,  35.0,  45.0,  55.0,  65.0,  75.0,  85.0, 95.0,
+    cs_heights(4,:)            =  0.0,   5.0,   15.0,   25.0,  35.0,  45.0,  55.0,  65.0,  75.0,  85.0, 95.0,
+
     bc_cs_b                    = 'neumann',
     bc_cs_t                    = 'neumann',
     
-!-- for emission depending on street type in static driver
-    emiss_factor_main = 1.667, 1.667,   !emiss_factor_main*surface_csflux for emission on main streets
-    emiss_factor_side = 0.334, 0.334,   !emiss_factor_side*surface_csflux for emission on side streets
-    main_street_id = 12,          !id is for identifying main/side streets (see chem_emissions in chemistry_model_mod.f90)
+    do_emis                    = .T.,
+    mode_emis                  = 'PARAMETERIZED',  ! emission depending on street type from static driver
+    surface_csflux_name        = 'NO',   'NO2',  'PM10',   !"cs" stands for chemical species
+    surface_csflux             = 4745.0, 1326.0, 2700.e-09,! surface emission of PM10, PM25 in kg m-2 d-1, 
+                                                           ! for gases in umol m-2 d-1 for PARAMETERIZED 
+    emiss_factor_main          = 1.667,  1.667,  1.667,    ! emiss_factor_main*surface_csflux for emission on main streets
+    emiss_factor_side          = 0.334,  0.334,  0.334,    !emiss_factor_side*surface_csflux for emission on side streets
+    main_street_id = 12,       ! id is for identifying main/side streets (see chem_emissions in chemistry_model_mod.f90)
     side_street_id =  8,
-    max_street_id = 19,
+    max_street_id  = 19,
+
+! -- KPP solver steering. For details  see comments in chem_gasphase_mod.f90, SUBROUTINE rosenbrock 
+!                         (or other solver subroutine, if another solver is chosen)
+    icntrl(3)                  = 1,   ! solver ros2
+    icntrl(4)                  = 500, ! max. number of chem-substeps
+    rcntrl(3)                  = 0.1, ! Hstart,starting value for the integration step size
 
  / ! end of chemistry_par namelist
Index: palm/trunk/TESTS/cases/urban_environment_restart/case_config.yml
===================================================================
--- palm/trunk/TESTS/cases/urban_environment_restart/case_config.yml	(revision 3581)
+++ palm/trunk/TESTS/cases/urban_environment_restart/case_config.yml	(revision 3632)
@@ -18,5 +18,5 @@
 
 significant_digits_for_netcdf_checks:
-  timeseries: 6
-  profiles: 6
+  timeseries: 4
+  profiles: 4
   other: 8
