LCOV - code coverage report
Current view: | top level - chemistry/mozart - mo_chm_diags.F90 (source / functions) |  |  | Hit | Total | Coverage
Test: | coverage.info |  | Lines: | 0 | 301 | 0.0 %
Date: | 2024-12-17 17:57:11 |  | Functions: | 0 | 3 | 0.0 %

              Line data    Source code
           1             : module mo_chm_diags
           2             :
           3             :   use shr_kind_mod, only : r8 => shr_kind_r8
           4             :   use chem_mods,    only : gas_pcnst
           5             :   use mo_tracname,  only : solsym
           6             :   use chem_mods,    only : rxntot, nfs, gas_pcnst, indexm, adv_mass
           7             :   use ppgrid,       only : pver
           8             :   use mo_constants, only : rgrav, rearth
           9             :   use mo_chem_utls, only : get_rxt_ndx, get_spc_ndx
          10             :   use cam_history,  only : fieldname_len
          11             :   use mo_jeuv,      only : neuv
          12             :   use gas_wetdep_opts,only : gas_wetdep_method
          13             :   use mo_drydep,    only : has_drydep
          14             :
          15             :   implicit none
          16             :   private
          17             :
          18             :   public :: chm_diags_inti
          19             :   public :: chm_diags
          20             :   public :: het_diags
          21             :
          22             :   integer :: id_n,id_no,id_no2,id_no3,id_n2o5,id_hno3,id_ho2no2,id_clono2,id_brono2
          23             :   integer :: id_isopfdn, id_isopfdnc, id_terpfdn !these are dinitrates
          24             :   integer :: id_cl,id_clo,id_hocl,id_cl2,id_cl2o2,id_oclo,id_hcl,id_brcl
          25             :   integer :: id_ccl4,id_cfc11,id_cfc113,id_ch3ccl3,id_cfc12,id_ch3cl,id_hcfc22,id_cf3br,id_cf2clbr
          26             :   integer :: id_cfc114,id_cfc115,id_hcfc141b,id_hcfc142b,id_h1202,id_h2402,id_ch2br2,id_chbr3
          27             :   integer :: id_hf,id_f,id_cof2,id_cofcl,id_ch3br
          28             :   integer :: id_br,id_bro,id_hbr,id_hobr,id_ch4,id_h2o,id_h2
          29             :   integer :: id_o,id_o2,id_h, id_h2o2, id_n2o
          30             :   integer :: id_co2,id_o3,id_oh,id_ho2,id_so4_a1,id_so4_a2,id_so4_a3
          31             :   integer :: id_num_a2,id_num_a3,id_dst_a3,id_ncl_a3
          32             :   integer :: id_ndep,id_nhdep
          33             :
          34             :   integer, parameter :: NJEUV = neuv
          35             :   integer :: rid_jeuv(NJEUV), rid_jno_i, rid_jno
          36             :
          37             :   logical :: has_jeuvs, has_jno_i, has_jno
          38             :
          39             :   integer :: nox_species(3),  noy_species(56)
          40             :   integer :: clox_species(6), cloy_species(9), tcly_species(21)
          41             :   integer :: brox_species(4), broy_species(6), tbry_species(13)
          42             :   integer :: foy_species(4),  tfy_species(16)
          43             :   integer :: hox_species(4)
          44             :   integer :: toth_species(3)
          45             :   integer :: sox_species(3)
          46             :   integer :: nhx_species(2)
          47             :   integer :: aer_species(gas_pcnst)
          48             :
          49             :   character(len=fieldname_len) :: dtchem_name(gas_pcnst)
          50             :   character(len=fieldname_len) :: depvel_name(gas_pcnst)
          51             :   character(len=fieldname_len) :: depflx_name(gas_pcnst)
          52             :   character(len=fieldname_len) :: wetdep_name(gas_pcnst)
          53             :   character(len=fieldname_len) :: wtrate_name(gas_pcnst)
          54             :
          55             :   real(r8), parameter :: N_molwgt = 14.00674_r8
          56             :   real(r8), parameter :: S_molwgt = 32.066_r8
          57             :
          58             : contains
          59             :
          60           0 :   subroutine chm_diags_inti
          61             :     !--------------------------------------------------------------------
          62             :     !   ... initialize utility routine
          63             :     !--------------------------------------------------------------------
          64             :
          65             :     use cam_history,  only : addfld, add_default, horiz_only
          66             :     use constituents, only : cnst_get_ind, cnst_longname
          67             :     use phys_control, only : phys_getopts
          68             :     use species_sums_diags, only : species_sums_init
          69             :
          70             :     integer :: j, k, m, n
          71             :     character(len=16) :: jname, spc_name, attr
          72             :     character(len=2)  :: jchar
          73             :     character(len=2)  :: unit_basename  ! Units 'kg' or '1'
          74             :
          75             :     integer :: id_pan, id_onit, id_mpan, id_isopno3, id_onitr, id_nh4no3
          76             :     integer :: id_so2, id_so4, id_h2so4
          77             :     integer :: id_nh3, id_nh4
          78             :     integer :: id_honitr
          79             :     integer :: id_alknit
          80             :     integer :: id_isopnita
          81             :     integer :: id_isopnitb
          82             :     integer :: id_isopnooh
          83             :     integer :: id_nc4ch2oh
          84             :     integer :: id_nc4cho
          85             :     integer :: id_noa
          86             :     integer :: id_nterpooh
          87             :     integer :: id_pbznit
          88             :     integer :: id_terpnit
          89             :     integer :: id_dst01, id_dst02, id_dst03, id_dst04, id_sslt01, id_sslt02, id_sslt03, id_sslt04
          90             :     integer :: id_soa,  id_oc1, id_oc2, id_cb1, id_cb2
          91             :     integer :: id_soam,id_soai,id_soat,id_soab,id_soax
          92             :     integer :: id_bry, id_cly
          93             :     integer :: id_isopn2b, id_isopn3b, id_isopn1d, id_isopn4d, id_isopnbno3
          94             :     integer :: id_isopfnp, id_isopnoohb, id_isopnoohd, id_inheb, id_inhed
          95             :     integer :: id_no3ch2cho, id_macrn, id_mvkn, id_isopfnc, id_terpns
          96             :     integer :: id_terpnt, id_terpnt1, id_terpns1, id_terpnpt, id_terpnps
          97             :     integer :: id_terpnpt1, id_terpnps1, id_sqtn, id_terphfn
          98             :     integer :: id_terpapan, id_terpa2pan, id_terpa3pan
          99             :
         100             :     logical :: history_aerosol      ! Output the MAM aerosol tendencies
         101             :     logical :: history_chemistry
         102             :     logical :: history_cesm_forcing
         103             :     logical :: history_scwaccm_forcing
         104             :     logical :: history_chemspecies_srf ! output the chemistry constituents species in the surface layer
         105             :     logical :: history_dust
         106             :     integer :: bulkaero_species(20)
         107             :
         108             :     !-----------------------------------------------------------------------
         109             :
         110             :     call phys_getopts( history_aerosol_out = history_aerosol, &
         111             :                        history_chemistry_out = history_chemistry, &
         112             :                        history_chemspecies_srf_out = history_chemspecies_srf, &
         113             :                        history_cesm_forcing_out = history_cesm_forcing, &
         114             :                        history_scwaccm_forcing_out = history_scwaccm_forcing, &
         115           0 :                        history_dust_out = history_dust )
         116             :
         117             :     id_bry     = get_spc_ndx( 'BRY' )
         118             :     id_cly     = get_spc_ndx( 'CLY' )
         119             :
         120           0 :     id_n       = get_spc_ndx( 'N' )
         121           0 :     id_no      = get_spc_ndx( 'NO' )
         122           0 :     id_no2     = get_spc_ndx( 'NO2' )
         123           0 :     id_no3     = get_spc_ndx( 'NO3' )
         124           0 :     id_n2o5    = get_spc_ndx( 'N2O5' )
         125           0 :     id_n2o     = get_spc_ndx( 'N2O' )
         126           0 :     id_hno3    = get_spc_ndx( 'HNO3' )
         127           0 :     id_ho2no2  = get_spc_ndx( 'HO2NO2' )
         128           0 :     id_clono2  = get_spc_ndx( 'CLONO2' )
         129           0 :     id_brono2  = get_spc_ndx( 'BRONO2' )
         130           0 :     id_cl      = get_spc_ndx( 'CL' )
         131           0 :     id_clo     = get_spc_ndx( 'CLO' )
         132           0 :     id_hocl    = get_spc_ndx( 'HOCL' )
         133           0 :     id_cl2     = get_spc_ndx( 'CL2' )
         134           0 :     id_cl2o2   = get_spc_ndx( 'CL2O2' )
         135           0 :     id_oclo    = get_spc_ndx( 'OCLO' )
         136           0 :     id_hcl     = get_spc_ndx( 'HCL' )
         137           0 :     id_brcl    = get_spc_ndx( 'BRCL' )
         138             :
         139           0 :     id_co2     = get_spc_ndx( 'CO2' )
         140           0 :     id_o3      = get_spc_ndx( 'O3' )
         141           0 :     id_oh      = get_spc_ndx( 'OH' )
         142           0 :     id_ho2     = get_spc_ndx( 'HO2' )
         143           0 :     id_h2o2    = get_spc_ndx( 'H2O2' )
         144           0 :     id_so4_a1  = get_spc_ndx( 'so4_a1' )
         145           0 :     id_so4_a2  = get_spc_ndx( 'so4_a2' )
         146           0 :     id_so4_a3  = get_spc_ndx( 'so4_a3' )
         147           0 :     id_num_a2  = get_spc_ndx( 'num_a2' )
         148           0 :     id_num_a3  = get_spc_ndx( 'num_a3' )
         149           0 :     id_dst_a3  = get_spc_ndx( 'dst_a3' )
         150           0 :     id_ncl_a3  = get_spc_ndx( 'ncl_a3' )
         151             :
         152           0 :     id_f       = get_spc_ndx( 'F' )
         153           0 :     id_hf      = get_spc_ndx( 'HF' )
         154           0 :     id_cofcl   = get_spc_ndx( 'COFCL' )
         155           0 :     id_cof2    = get_spc_ndx( 'COF2' )
         156             :
         157           0 :     id_ccl4    = get_spc_ndx( 'CCL4' )
         158           0 :     id_cfc11   = get_spc_ndx( 'CFC11' )
         159             :
         160           0 :     id_cfc113  = get_spc_ndx( 'CFC113' )
         161           0 :     id_cfc114  = get_spc_ndx( 'CFC114' )
         162           0 :     id_cfc115  = get_spc_ndx( 'CFC115' )
         163             :
         164           0 :     id_ch3ccl3 = get_spc_ndx( 'CH3CCL3' )
         165           0 :     id_cfc12   = get_spc_ndx( 'CFC12' )
         166           0 :     id_ch3cl   = get_spc_ndx( 'CH3CL' )
         167             :
         168           0 :     id_hcfc22  = get_spc_ndx( 'HCFC22' )
         169           0 :     id_hcfc141b= get_spc_ndx( 'HCFC141B' )
         170           0 :     id_hcfc142b= get_spc_ndx( 'HCFC142B' )
         171             :
         172           0 :     id_cf2clbr = get_spc_ndx( 'CF2CLBR' )
         173           0 :     id_cf3br   = get_spc_ndx( 'CF3BR' )
         174           0 :     id_ch3br   = get_spc_ndx( 'CH3BR' )
         175           0 :     id_h1202   = get_spc_ndx( 'H1202' )
         176           0 :     id_h2402   = get_spc_ndx( 'H2402' )
         177           0 :     id_ch2br2  = get_spc_ndx( 'CH2BR2' )
         178           0 :     id_chbr3   = get_spc_ndx( 'CHBR3' )
         179             :
         180           0 :     id_br      = get_spc_ndx( 'BR' )
         181           0 :     id_bro     = get_spc_ndx( 'BRO' )
         182           0 :     id_hbr     = get_spc_ndx( 'HBR' )
         183           0 :     id_hobr    = get_spc_ndx( 'HOBR' )
         184           0 :     id_ch4     = get_spc_ndx( 'CH4' )
         185           0 :     id_h2o     = get_spc_ndx( 'H2O' )
         186           0 :     id_h2      = get_spc_ndx( 'H2' )
         187           0 :     id_o       = get_spc_ndx( 'O' )
         188           0 :     id_o2      = get_spc_ndx( 'O2' )
         189           0 :     id_h       = get_spc_ndx( 'H' )
         190             :
         191           0 :     id_pan     = get_spc_ndx( 'PAN' )
         192           0 :     id_onit    = get_spc_ndx( 'ONIT' )
         193           0 :     id_mpan    = get_spc_ndx( 'MPAN' )
         194           0 :     id_isopno3 = get_spc_ndx( 'ISOPNO3' )
         195           0 :     id_onitr   = get_spc_ndx( 'ONITR' )
         196           0 :     id_nh4no3  = get_spc_ndx( 'NH4NO3' )
         197             :
         198           0 :     id_honitr    = get_spc_ndx( 'HONITR' )
         199           0 :     id_alknit    = get_spc_ndx( 'ALKNIT' )
         200           0 :     id_isopnita  = get_spc_ndx( 'ISOPNITA' )
         201           0 :     id_isopnitb  = get_spc_ndx( 'ISOPNITB' )
         202           0 :     id_isopnooh  = get_spc_ndx( 'ISOPNOOH' )
         203           0 :     id_nc4ch2oh  = get_spc_ndx( 'NC4CH2OH' )
         204           0 :     id_nc4cho    = get_spc_ndx( 'NC4CHO' )
         205           0 :     id_noa       = get_spc_ndx( 'NOA' )
         206           0 :     id_nterpooh  = get_spc_ndx( 'NTERPOOH' )
         207           0 :     id_pbznit    = get_spc_ndx( 'PBZNIT' )
         208           0 :     id_terpnit   = get_spc_ndx( 'TERPNIT' )
         209           0 :     id_ndep      = get_spc_ndx( 'NDEP' )
         210           0 :     id_nhdep     = get_spc_ndx( 'NHDEP' )
         211             :
         212           0 :     id_so2     = get_spc_ndx( 'SO2' )
         213           0 :     id_so4     = get_spc_ndx( 'SO4' )
         214           0 :     id_h2so4   = get_spc_ndx( 'H2SO4' )
         215             :
         216           0 :     id_nh3     = get_spc_ndx( 'NH3' )
         217           0 :     id_nh4     = get_spc_ndx( 'NH4' )
         218           0 :     id_nh4no3  = get_spc_ndx( 'NH4NO3' )
         219             :
         220           0 :     id_isopn2b   = get_spc_ndx( 'ISOPN2B' )
         221           0 :     id_isopn3b   = get_spc_ndx( 'ISOPN3B' )
         222           0 :     id_isopn1d   = get_spc_ndx( 'ISOPN1D' )
         223           0 :     id_isopn4d   = get_spc_ndx( 'ISOPN4D' )
         224           0 :     id_isopnbno3 = get_spc_ndx('ISOPNBNO3' )
         225           0 :     id_isopfdn   = get_spc_ndx( 'ISOPFDN' )
         226           0 :     id_isopfdnc  = get_spc_ndx( 'ISOPFDNC')
         227           0 :     id_terpfdn   = get_spc_ndx( 'TERPFDN' )
         228           0 :     id_isopfnp   = get_spc_ndx( 'ISOPFNP' )
         229           0 :     id_isopnoohb = get_spc_ndx( 'ISOPNOOHB' )
         230           0 :     id_isopnoohd = get_spc_ndx( 'ISOPNOOHD' )
         231           0 :     id_inheb     = get_spc_ndx( 'INHEB' )
         232           0 :     id_inhed     = get_spc_ndx( 'INHED' )
         233           0 :     id_no3ch2cho = get_spc_ndx( 'NO3CH2CHO' )
         234           0 :     id_macrn     = get_spc_ndx( 'MACRN' )
         235           0 :     id_mvkn      = get_spc_ndx( 'MVKN' )
         236           0 :     id_isopfnc   = get_spc_ndx( 'ISOPFNC' )
         237           0 :     id_terpns    = get_spc_ndx( 'TERPNS' )
         238           0 :     id_terpnt    = get_spc_ndx( 'TERPNT' )
         239           0 :     id_terpnt1   = get_spc_ndx( 'TERPNT1' )
         240           0 :     id_terpns1   = get_spc_ndx( 'TERPNS1' )
         241           0 :     id_terpnpt   = get_spc_ndx( 'TERPNPT' )
         242           0 :     id_terpnps   = get_spc_ndx( 'TERPNPS' )
         243           0 :     id_terpnpt1  = get_spc_ndx( 'TERPNPT1' )
         244           0 :     id_terpnps1  = get_spc_ndx( 'TERPNPS1' )
         245           0 :     id_sqtn      = get_spc_ndx( 'SQTN' )
         246           0 :     id_terphfn   = get_spc_ndx( 'TERPHFN' )
         247           0 :     id_terpapan  = get_spc_ndx( 'TERPAPAN' )
         248           0 :     id_terpa2pan = get_spc_ndx( 'TERPA2PAN' )
         249           0 :     id_terpa3pan = get_spc_ndx( 'TERPA3PAN' )
         250             :
         251           0 :     id_dst01   = get_spc_ndx( 'DST01' )
         252           0 :     id_dst02   = get_spc_ndx( 'DST02' )
         253           0 :     id_dst03   = get_spc_ndx( 'DST03' )
         254           0 :     id_dst04   = get_spc_ndx( 'DST04' )
         255           0 :     id_sslt01  = get_spc_ndx( 'SSLT01' )
         256           0 :     id_sslt02  = get_spc_ndx( 'SSLT02' )
         257           0 :     id_sslt03  = get_spc_ndx( 'SSLT03' )
         258           0 :     id_sslt04  = get_spc_ndx( 'SSLT04' )
         259           0 :     id_soa     = get_spc_ndx( 'SOA' )
         260           0 :     id_so4     = get_spc_ndx( 'SO4' )
         261           0 :     id_oc1     = get_spc_ndx( 'OC1' )
         262           0 :     id_oc2     = get_spc_ndx( 'OC2' )
         263           0 :     id_cb1     = get_spc_ndx( 'CB1' )
         264           0 :     id_cb2     = get_spc_ndx( 'CB2' )
         265             :
         266           0 :     rid_jno   = get_rxt_ndx( 'jno' )
         267           0 :     rid_jno_i = get_rxt_ndx( 'jno_i' )
         268             :
         269           0 :     id_soam = get_spc_ndx( 'SOAM' )
         270           0 :     id_soai = get_spc_ndx( 'SOAI' )
         271           0 :     id_soat = get_spc_ndx( 'SOAT' )
         272           0 :     id_soab = get_spc_ndx( 'SOAB' )
         273           0 :     id_soax = get_spc_ndx( 'SOAX' )
         274             :
         275             :
         276             : !... NOY species
         277           0 :     nox_species = (/ id_n, id_no, id_no2 /)
         278             :     noy_species = (/ id_n, id_no, id_no2, id_no3, id_n2o5, id_hno3, id_ho2no2, id_clono2, &
         279             :                      id_brono2, id_pan, id_onit, id_mpan, id_isopno3, id_onitr, id_nh4no3, &
         280             :                      id_honitr, id_alknit, id_isopnita, id_isopnitb, id_isopnooh, id_nc4ch2oh, &
         281             :                      id_nc4cho, id_noa, id_nterpooh, id_pbznit, id_terpnit, &
         282             :                      id_isopn2b, id_isopn3b, id_isopn1d, id_isopn4d, id_isopnbno3, &
         283             :                      id_isopfdn, id_isopfdnc, id_terpfdn, &
         284             :                      id_isopfnp, id_isopnoohb, id_isopnoohd, id_inheb, id_inhed, &
         285             :                      id_no3ch2cho, id_macrn, id_mvkn, id_isopfnc, id_terpns, &
         286             :                      id_terpnt, id_terpnt1, id_terpns1, id_terpnpt, id_terpnps, &
         287             :                      id_terpnpt1, id_terpnps1, id_sqtn, id_terphfn, &
         288           0 :                      id_terpapan, id_terpa2pan, id_terpa3pan /)
         289             : !... HOX species
         290           0 :     hox_species = (/ id_h, id_oh, id_ho2, id_h2o2 /)
         291             :
         292             : !... CLOY species
         293           0 :     clox_species = (/ id_cl, id_clo, id_hocl, id_cl2, id_cl2o2, id_oclo /)
         294           0 :     cloy_species = (/ id_cl, id_clo, id_hocl, id_cl2, id_cl2o2, id_oclo, id_hcl, id_clono2, id_brcl /)
         295             :     tcly_species = (/ id_cl, id_clo, id_hocl, id_cl2, id_cl2o2, id_oclo, id_hcl, id_clono2, id_brcl, &
         296             :                       id_ccl4, id_cfc11, id_cfc113, id_cfc114, id_cfc115, id_ch3ccl3, id_cfc12, id_ch3cl, &
         297           0 :                       id_hcfc22, id_hcfc141b, id_hcfc142b, id_cf2clbr /)
         298             :
         299             : !... FOY species
         300           0 :     foy_species = (/ id_F, id_hf, id_cofcl, id_cof2 /)
         301             :     tfy_species = (/ id_f, id_hf, id_cofcl, id_cof2, id_cfc11, id_cfc12, id_cfc113, id_cfc114, id_cfc115, &
         302           0 :                      id_hcfc22, id_hcfc141b, id_hcfc142b, id_cf2clbr, id_cf3br, id_h1202, id_h2402 /)
         303             :
         304             : !... BROY species
         305           0 :     brox_species = (/ id_br, id_bro, id_brcl, id_hobr /)
         306           0 :     broy_species = (/ id_br, id_bro, id_hbr, id_brono2, id_brcl, id_hobr /)
         307             :     tbry_species = (/ id_br, id_bro, id_hbr, id_brono2, id_brcl, id_hobr, id_cf2clbr, id_cf3br, id_ch3br, id_h1202, &
         308           0 :                       id_h2402, id_ch2br2, id_chbr3 /)
         309             :
         310           0 :     sox_species = (/ id_so2, id_so4, id_h2so4 /)
         311           0 :     nhx_species = (/ id_nh3, id_nh4 /)
         312           0 :     bulkaero_species(:) = -1
         313             :     bulkaero_species(1:20) = (/ id_dst01, id_dst02, id_dst03, id_dst04, &
         314             :                                 id_sslt01, id_sslt02, id_sslt03, id_sslt04, &
         315             :                                 id_soa, id_so4, id_oc1, id_oc2, id_cb1, id_cb2, id_nh4no3, &
         316           0 :                                 id_soam,id_soai,id_soat,id_soab,id_soax /)
         317             :
         318             :     aer_species(:) = -1
         319           0 :     n = 1
         320             :     do m = 1,gas_pcnst
         321             :        k=0
         322             :        if ( any(bulkaero_species(:)==m) ) k=1
         323             :        if ( k==0 ) k = index(trim(solsym(m)), '_a')
         324             :        if ( k==0 ) k = index(trim(solsym(m)), '_c')
         325             :        if ( k>0 ) then ! must be aerosol species
         326             :           aer_species(n) = m
         327             :           n = n+1
         328             :        endif
         329             :     enddo
         330             :
         331           0 :     toth_species = (/ id_ch4, id_h2o, id_h2 /)
         332             :
         333           0 :     call addfld( 'NOX',     (/ 'lev' /), 'A', 'mol/mol', 'nox (N+NO+NO2)' )
         334             :     call addfld( 'NOY',     (/ 'lev' /), 'A', 'mol/mol', &
         335           0 :                  'noy = total nitrogen (N+NO+NO2+NO3+2N2O5+HNO3+HO2NO2+ORGNOY+NH4NO3)' )
         336           0 :     call addfld( 'NOY_SRF', horiz_only,  'A', 'mol/mol', 'surface noy volume mixing ratio' )
         337           0 :     call addfld( 'HOX',     (/ 'lev' /), 'A', 'mol/mol', 'HOx (H+OH+HO2+2H2O2)' )
         338             :
         339           0 :     call addfld( 'BROX',    (/ 'lev' /), 'A', 'mol/mol', 'brox (Br+BrO+BRCl+HOBr)' )
         340           0 :     call addfld( 'BROY',    (/ 'lev' /), 'A', 'mol/mol', 'total inorganic bromine (Br+BrO+HOBr+BrONO2+HBr+BrCl)' )
         341           0 :     call addfld( 'TBRY',    (/ 'lev' /), 'A', 'mol/mol', 'total Br (ORG+INORG) volume mixing ratio' )
         342             :
         343           0 :     call addfld( 'CLOX',    (/ 'lev' /), 'A', 'mol/mol', 'clox (Cl+CLO+HOCl+2Cl2+2Cl2O2+OClO)' )
         344           0 :     call addfld( 'CLOY',    (/ 'lev' /), 'A', 'mol/mol', 'total inorganic chlorine (Cl+ClO+2Cl2+2Cl2O2+OClO+HOCl+ClONO2+HCl+BrCl)' )
         345           0 :     call addfld( 'TCLY',    (/ 'lev' /), 'A', 'mol/mol', 'total Cl (ORG+INORG) volume mixing ratio' )
         346             :
         347           0 :     call addfld( 'FOY',     (/ 'lev' /), 'A', 'mol/mol', 'total inorganic fluorine (F+HF+COFCL+2COF2)' )
         348           0 :     call addfld( 'TFY',     (/ 'lev' /), 'A', 'mol/mol', 'total F (ORG+INORG) volume mixing ratio' )
         349             :
         350           0 :     call addfld( 'TOTH',    (/ 'lev' /), 'A', 'mol/mol', 'total H2 volume mixing ratio' )
         351             :
         352           0 :     call addfld( 'NOY_mmr', (/ 'lev' /), 'A', 'kg/kg', 'NOy mass mixing ratio' )
         353           0 :     call addfld( 'SOX_mmr', (/ 'lev' /), 'A', 'kg/kg', 'SOx mass mixing ratio' )
         354           0 :     call addfld( 'NHX_mmr', (/ 'lev' /), 'A', 'kg/kg', 'NHx mass mixing ratio' )
         355             :
         356           0 :     do j = 1,NJEUV
         357           0 :        write( jchar, '(I2)' ) j
         358           0 :        jname = 'jeuv_'//trim(adjustl(jchar))
         359           0 :        rid_jeuv(j) = get_rxt_ndx( trim(jname) )
         360             :     enddo
         361             :
         362           0 :     has_jeuvs = all( rid_jeuv(:) > 0 )
         363           0 :     has_jno_i = rid_jno_i>0
         364           0 :     has_jno   = rid_jno>0
         365             :
         366           0 :     if ( has_jeuvs ) then
         367           0 :        call addfld( 'PION_EUV', (/ 'lev' /), 'I', '/cm^3/s', 'total euv ionization rate' )
         368           0 :        call addfld( 'PEUV1',    (/ 'lev' /), 'I', '/cm^3/s', '(j1+j2+j3)*o' )
         369           0 :        call addfld( 'PEUV1e',   (/ 'lev' /), 'I', '/cm^3/s', '(j14+j15+j16)*o' )
         370           0 :        call addfld( 'PEUV2',    (/ 'lev' /), 'I', '/cm^3/s', 'j4*n' )
         371           0 :        call addfld( 'PEUV3',    (/ 'lev' /), 'I', '/cm^3/s', '(j5+j7+j8+j9)*o2' )
         372           0 :        call addfld( 'PEUV3e',   (/ 'lev' /), 'I', '/cm^3/s', '(j17+j19+j20+j21)*o2' )
         373           0 :        call addfld( 'PEUV4',    (/ 'lev' /), 'I', '/cm^3/s', '(j10+j11)*n2' )
         374           0 :        call addfld( 'PEUV4e',   (/ 'lev' /), 'I', '/cm^3/s', '(j22+j23)*n2' )
         375           0 :        call addfld( 'PEUVN2D',  (/ 'lev' /), 'I', '/cm^3/s', '(j11+j13)*n2' )
         376           0 :        call addfld( 'PEUVN2De', (/ 'lev' /), 'I', '/cm^3/s', '(j23+j25)*n2' )
         377             :     endif
         378           0 :     if ( has_jno ) then
         379           0 :        call addfld( 'PJNO', (/ 'lev' /), 'I', '/cm^3/s', 'jno*no' )
         380             :     endif
         381           0 :     if ( has_jno_i ) then
         382           0 :        call addfld( 'PJNO_I', (/ 'lev' /), 'I', '/cm^3/s', 'jno_i*no' )
         383             :     endif
         384             : !
         385             : ! CCMI
         386             : !
         387             :     call addfld( 'DO3CHM_TRP', horiz_only, 'A', 'kg/s', 'integrated net tendency from chem in troposphere',            &
         388           0 :          flag_xyfill=.True. )
         389             :     call addfld( 'DO3CHM_LMS', horiz_only, 'A', 'kg/s', 'integrated net tendency from chem in lowermost stratosphere', &
         390           0 :          flag_xyfill=.True. )
         391             : !
         392             :     do m = 1,gas_pcnst
         393             :
         394             :        spc_name = trim(solsym(m))
         395             :
         396             :        call cnst_get_ind(spc_name, n, abort=.false. )
         397             :        if ( n > 0 ) then
         398             :           attr = cnst_longname(n)
         399             :        elseif ( trim(spc_name) == 'H2O' ) then
         400             :           attr = 'water vapor'
         401             :        else
         402             :           attr = spc_name
         403             :        endif
         404             :
         405             :        dtchem_name(m) = 'D'//trim(spc_name)//'CHM'
         406             :        call addfld( dtchem_name(m), (/ 'lev' /), 'A', 'kg/s',    'net tendency from chem' )
         407             :
         408             :        depvel_name(m) = 'DV_'//trim(spc_name)
         409             :        depflx_name(m) = 'DF_'//trim(spc_name)
         410             :        if (has_drydep(spc_name)) then
         411             :           call addfld( depvel_name(m), horiz_only,  'A', 'cm/s',    'deposition velocity ' )
         412             :           call addfld( depflx_name(m), horiz_only,  'A', 'kg/m2/s', 'dry deposition flux ' )
         413             :           if (history_chemistry) then
         414             :              call add_default( depflx_name(m), 1, ' ' )
         415             :           endif
         416             :        endif
         417             :
         418             :        if (gas_wetdep_method=='MOZ') then
         419             :           wetdep_name(m) = 'WD_'//trim(spc_name)
         420             :           wtrate_name(m) = 'WDR_'//trim(spc_name)
         421             :
         422             :           call addfld( wetdep_name(m), horiz_only,  'A', 'kg/s', spc_name//' wet deposition' )
         423             :           call addfld( wtrate_name(m), (/ 'lev' /), 'A',   '/s', spc_name//' wet deposition rate' )
         424             :        endif
         425             :
         426             :        if (spc_name(1:3) == 'num') then
         427             :           unit_basename = ' 1'
         428             :        else
         429             :           unit_basename = 'kg'
         430             :        endif
         431             :
         432             :        if ( any( aer_species == m ) ) then
         433             :           call addfld( spc_name,   (/ 'lev' /), 'A', unit_basename//'/kg ', trim(attr)//' concentration')
         434             :           call addfld( trim(spc_name)//'_SRF', horiz_only, 'A', unit_basename//'/kg', trim(attr)//" in bottom layer")
         435             :        else
         436             :           call addfld( spc_name, (/ 'lev' /), 'A', 'mol/mol', trim(attr)//' concentration')
         437             :           call addfld( trim(spc_name)//'_SRF', horiz_only, 'A', 'mol/mol', trim(attr)//" in bottom layer")
         438             :        endif
         439             :
         440             :        if ((m /= id_cly) .and. (m /= id_bry)) then
         441             :           if (history_aerosol.or.history_chemistry) then
         442             :              call add_default( spc_name, 1, ' ' )
         443             :           endif
         444             :           if (history_chemspecies_srf) then
         445             :              call add_default( trim(spc_name)//'_SRF', 1, ' ' )
         446             :           endif
         447             :        endif
         448             :
         449             :        if ( history_cesm_forcing ) then
         450             :           if (m==id_o3)  call add_default( spc_name, 1, ' ')
         451             :           if (m==id_oh)  call add_default( spc_name, 1, ' ')
         452             :           if (m==id_no3) call add_default( spc_name, 1, ' ')
         453             :           if (m==id_ho2) call add_default( spc_name, 1, ' ')
         454             :
         455             :           if (m==id_o3)     call add_default( spc_name, 8, ' ')
         456             :           if (m==id_so4_a1) call add_default( spc_name, 8, ' ')
         457             :           if (m==id_so4_a2) call add_default( spc_name, 8, ' ')
         458             :           if (m==id_so4_a3) call add_default( spc_name, 8, ' ')
         459             :
         460             :           if (m==id_num_a2) call add_default( spc_name, 8, ' ')
         461             :           if (m==id_num_a3) call add_default( spc_name, 8, ' ')
         462             :           if (m==id_dst_a3) call add_default( spc_name, 8, ' ')
         463             :           if (m==id_ncl_a3) call add_default( spc_name, 8, ' ')
         464             :
         465             :        endif
         466             :        if ( history_scwaccm_forcing ) then
         467             :           if (m==id_co2) call add_default( spc_name, 8, ' ')
         468             :           if (m==id_h)   call add_default( spc_name, 8, ' ')
         469             :           if (m==id_no)  call add_default( spc_name, 8, ' ')
         470             :           if (m==id_o)   call add_default( spc_name, 8, ' ')
         471             :           if (m==id_o2)  call add_default( spc_name, 8, ' ')
         472             :           if (m==id_o3)  call add_default( spc_name, 8, ' ')
         473             :           if (m==id_h2o)    call add_default( spc_name, 1, ' ')
         474             :           if (m==id_ch4 )   call add_default( spc_name, 1, ' ')
         475             :           if (m==id_n2o )   call add_default( spc_name, 1, ' ')
         476             :           if (m==id_cfc11 ) call add_default( spc_name, 1, ' ')
         477             :           if (m==id_cfc12 ) call add_default( spc_name, 1, ' ')
         478             :        endif
         479             :
         480             :        if (history_dust .and. (index(spc_name,'dst_') > 0))  call add_default( spc_name, 1, ' ')
         481             :
         482             :     enddo
         483             :
         484           0 :     call addfld( 'MASS', (/ 'lev' /), 'A', 'kg', 'mass of grid box' )
         485           0 :     call addfld( 'AREA', horiz_only,  'A', 'm2', 'area of grid box' )
         486             :
         487           0 :     call addfld( 'dry_deposition_NOy_as_N', horiz_only, 'I', 'kg/m2/s', 'NOy dry deposition flux ' )
         488           0 :     call addfld( 'DF_SOX', horiz_only, 'I', 'kg/m2/s', 'SOx dry deposition flux ' )
         489           0 :     call addfld( 'dry_deposition_NHx_as_N', horiz_only, 'I', 'kg/m2/s', 'NHx dry deposition flux ' )
         490           0 :     if (gas_wetdep_method=='NEU') then
         491           0 :        call addfld( 'wet_deposition_NOy_as_N', horiz_only, 'A', 'kg/m2/s', 'NOy wet deposition' )
         492           0 :        call addfld( 'wet_deposition_NHx_as_N', horiz_only, 'A', 'kg/m2/s', 'NHx wet deposition' )
         493           0 :     elseif (gas_wetdep_method=='MOZ') then
         494           0 :        call addfld( 'wet_deposition_NOy_as_N', horiz_only, 'A', 'kg/s', 'NOy wet deposition' )
         495           0 :        call addfld( 'WD_SOX', horiz_only, 'A', 'kg/s', 'SOx wet deposition' )
         496           0 :        call addfld( 'wet_deposition_NHx_as_N', horiz_only, 'A', 'kg/s', 'NHx wet deposition' )
         497             :     endif
         498           0 :     if ( history_cesm_forcing ) then
         499           0 :        call add_default('dry_deposition_NOy_as_N', 1, ' ')
         500           0 :        call add_default('dry_deposition_NHx_as_N', 1, ' ')
         501           0 :        call add_default('wet_deposition_NOy_as_N', 1, ' ')
         502           0 :        call add_default('wet_deposition_NHx_as_N', 1, ' ')
         503             :     endif
         504             :
         505           0 :     call species_sums_init()
         506             :
         507           0 :   end subroutine chm_diags_inti
         508             :
         509           0 :   subroutine chm_diags( lchnk, ncol, vmr, mmr, rxt_rates, invariants, depvel, depflx, mmr_tend, pdel, pmid, ltrop, &
         510           0 :                         wetdepflx, nhx_nitrogen_flx, noy_nitrogen_flx )
         511             :     !--------------------------------------------------------------------
         512             :     !   ... utility routine to output chemistry diagnostic variables
         513             :     !--------------------------------------------------------------------
         514             :
         515           0 :     use cam_history,  only : outfld
         516             :     use phys_grid,    only : get_area_all_p
         517             :     use species_sums_diags, only : species_sums_output
         518             : !
         519             : ! CCMI
         520             : !
         521             :     use cam_history_support, only : fillvalue
         522             :
         523             :     !--------------------------------------------------------------------
         524             :     !   ... dummy arguments
         525             :     !--------------------------------------------------------------------
         526             :     integer,  intent(in)  :: lchnk
         527             :     integer,  intent(in)  :: ncol
         528             :     real(r8), intent(in)  :: vmr(ncol,pver,gas_pcnst)
         529             :     real(r8), intent(in)  :: mmr(ncol,pver,gas_pcnst)
         530             :     real(r8), intent(in)  :: rxt_rates(ncol,pver,rxntot)
         531             :     real(r8), intent(in)  :: invariants(ncol,pver,max(1,nfs))
         532             :     real(r8), intent(in)  :: depvel(ncol, gas_pcnst)
         533             :     real(r8), intent(in)  :: depflx(ncol, gas_pcnst)
         534             :     real(r8), intent(in)  :: mmr_tend(ncol,pver,gas_pcnst)
         535             :     real(r8), intent(in)  :: pdel(ncol,pver)
         536             :     real(r8), intent(in)  :: pmid(ncol,pver)
         537             :     integer,  intent(in)  :: ltrop(ncol)
         538             :     real(r8), intent(in)  :: wetdepflx(ncol, gas_pcnst)
         539             :     real(r8), intent(out) :: nhx_nitrogen_flx(ncol) ! kgN/m2/sec
         540             :     real(r8), intent(out) :: noy_nitrogen_flx(ncol) ! kgN/m2/sec
         541             :
         542             :     !--------------------------------------------------------------------
         543             :     !   ... local variables
         544             :     !--------------------------------------------------------------------
         545             :     integer     :: i, k, m
         546           0 :     real(r8)    :: wrk(ncol,pver)
         547             :     !      real(r8)    :: tmp(ncol,pver)
         548             :     !      real(r8)    :: m(ncol,pver)
         549           0 :     real(r8)    :: un2(ncol)
         550             :
         551           0 :     real(r8), dimension(ncol,pver) :: vmr_nox, vmr_noy, vmr_clox, vmr_cloy, vmr_tcly, vmr_brox, vmr_broy, vmr_toth
         552           0 :     real(r8), dimension(ncol,pver) :: vmr_tbry, vmr_foy, vmr_tfy
         553           0 :     real(r8), dimension(ncol,pver) :: mmr_noy, mmr_sox, mmr_nhx, net_chem
         554           0 :     real(r8), dimension(ncol)      :: df_noy, df_sox, df_nhx, do3chm_trp, do3chm_lms
         555           0 :     real(r8), dimension(ncol)      :: wd_noy, wd_nhx
         556           0 :     real(r8), dimension(ncol,pver) :: vmr_hox
         557             :
         558           0 :     real(r8) :: area(ncol), mass(ncol,pver)
         559             :     real(r8) :: wgt
         560             :
         561             :     !--------------------------------------------------------------------
         562             :     !   ... "diagnostic" groups
         563             :     !--------------------------------------------------------------------
         564           0 :     vmr_nox(:ncol,:) = 0._r8
         565           0 :     vmr_noy(:ncol,:) = 0._r8
         566           0 :     vmr_hox(:ncol,:) = 0._r8
         567           0 :     vmr_clox(:ncol,:) = 0._r8
         568           0 :     vmr_cloy(:ncol,:) = 0._r8
         569           0 :     vmr_tcly(:ncol,:) = 0._r8
         570           0 :     vmr_brox(:ncol,:) = 0._r8
         571           0 :     vmr_broy(:ncol,:) = 0._r8
         572           0 :     vmr_tbry(:ncol,:) = 0._r8
         573           0 :     vmr_foy(:ncol,:)  = 0._r8
         574           0 :     vmr_tfy(:ncol,:)  = 0._r8
         575           0 :     vmr_toth(:ncol,:) = 0._r8
         576           0 :     mmr_noy(:ncol,:) = 0._r8
         577           0 :     mmr_sox(:ncol,:) = 0._r8
         578           0 :     mmr_nhx(:ncol,:) = 0._r8
         579           0 :     df_noy(:ncol) = 0._r8
         580           0 :     df_sox(:ncol) = 0._r8
         581           0 :     df_nhx(:ncol) = 0._r8
         582             :
         583           0 :     wd_noy(:ncol) = 0._r8
         584           0 :     wd_nhx(:ncol) = 0._r8
         585             :
         586           0 :     call get_area_all_p(lchnk, ncol, area)
         587           0 :     area = area * rearth**2
         588             :
         589           0 :     do k = 1,pver
         590           0 :        mass(:ncol,k) = pdel(:ncol,k) * area(:ncol) * rgrav
         591             :     enddo
         592             :
         593           0 :     call outfld( 'AREA', area(:ncol),   ncol, lchnk )
         594           0 :     call outfld( 'MASS', mass(:ncol,:), ncol, lchnk )
         595             :
         596             :     do m = 1,gas_pcnst
         597             :
         598             :  !...FOY (counting Fluorines, not chlorines or bromines)
         599             :        if ( m == id_cfc12 .or. m == id_hcfc22 .or. m == id_cf2clbr .or. m == id_h1202 .or. m == id_hcfc142b &
         600             :             .or. m == id_cof2 ) then
         601             :           wgt = 2._r8
         602             :        elseif ( m == id_cfc113 .or. m == id_cf3br ) then
         603             :           wgt = 3._r8
         604             :        elseif ( m == id_cfc114 .or. m == id_h2402 ) then
         605             :           wgt = 4._r8
         606             :        elseif ( m == id_cfc115 ) then
         607             :           wgt = 5._r8
         608             :        else
         609             :           wgt = 1._r8
         610             :        endif
         611             :        if ( any( foy_species == m ) ) then
         612             :           vmr_foy(:ncol,:) = vmr_foy(:ncol,:) +  wgt * vmr(:ncol,:,m)
         613             :        endif
         614             :        if ( any( tfy_species == m ) ) then
         615             :           vmr_tfy(:ncol,:) = vmr_tfy(:ncol,:) +  wgt * vmr(:ncol,:,m)
         616             :        endif
         617             :
         618             : !... counting chlorine and bromines, etc... (and total H2 species)
         619             :        if ( m == id_ch4 .or. m == id_n2o5 .or. m == id_cfc12 .or. m == id_cl2 .or. m == id_cl2o2 .or. m==id_h2o2  ) then
         620             :           wgt = 2._r8
         621             :        elseif (m == id_cfc114 .or. m == id_hcfc141b .or. m == id_h1202 .or. m == id_h2402 .or. m == id_ch2br2 ) then
         622             :           wgt = 2._r8
         623             :        elseif (m == id_isopfdn .or. m == id_isopfdnc .or. m == id_terpfdn ) then
         624             :           wgt = 2._r8
         625             :        elseif ( m == id_cfc11 .or. m == id_cfc113 .or. m == id_ch3ccl3 .or. m == id_chbr3 ) then
         626             :           wgt = 3._r8
         627             :        elseif ( m == id_ccl4 ) then
         628             :           wgt = 4._r8
         629             :        else
         630             :           wgt = 1._r8
         631             :        endif
         632             : !...NOY
         633             :        if ( any( nox_species == m ) ) then
         634             :           vmr_nox(:ncol,:) = vmr_nox(:ncol,:) +  wgt * vmr(:ncol,:,m)
         635             :        endif
         636             :        if ( any( noy_species == m ) ) then
         637             :           vmr_noy(:ncol,:) = vmr_noy(:ncol,:) +  wgt * vmr(:ncol,:,m)
         638             :        endif
         639             : !...NOY, SOX, NHX
         640             :        if ( any( noy_species == m ) ) then
         641             :           mmr_noy(:ncol,:) = mmr_noy(:ncol,:) +  wgt * mmr(:ncol,:,m)
         642             :        endif
         643             :        if ( any( sox_species == m ) ) then
         644             :           mmr_sox(:ncol,:) = mmr_sox(:ncol,:) +  wgt * mmr(:ncol,:,m)
         645             :        endif
         646             :        if ( any( nhx_species == m ) ) then
         647             :           mmr_nhx(:ncol,:) = mmr_nhx(:ncol,:) +  wgt * mmr(:ncol,:,m)
         648             :        endif
         649             : !...CLOY
         650             :        if ( any( clox_species == m ) ) then
         651             :           vmr_clox(:ncol,:) = vmr_clox(:ncol,:) +  wgt * vmr(:ncol,:,m)
         652             :        endif
         653             :        if ( any( cloy_species == m ) ) then
         654             :           vmr_cloy(:ncol,:) = vmr_cloy(:ncol,:) +  wgt * vmr(:ncol,:,m)
         655             :        endif
         656             :        if ( any( tcly_species == m ) ) then
         657             :           vmr_tcly(:ncol,:) = vmr_tcly(:ncol,:) +  wgt * vmr(:ncol,:,m)
         658             :        endif
         659             : !...BROY
         660             :        if ( any( brox_species == m ) ) then
         661             :           vmr_brox(:ncol,:) = vmr_brox(:ncol,:) +  wgt * vmr(:ncol,:,m)
         662             :        endif
         663             :        if ( any( broy_species == m ) ) then
         664             :           vmr_broy(:ncol,:) = vmr_broy(:ncol,:) +  wgt * vmr(:ncol,:,m)
         665             :        endif
         666             :        if ( any( tbry_species == m ) ) then
         667             :           vmr_tbry(:ncol,:) = vmr_tbry(:ncol,:) +  wgt * vmr(:ncol,:,m)
         668             :        endif
         669             : !...HOY
         670             :        if ( any ( toth_species == m ) ) then
         671             :           vmr_toth(:ncol,:) = vmr_toth(:ncol,:) +  wgt * vmr(:ncol,:,m)
         672             :        endif
         673             : !...HOx
         674             :        if ( any( hox_species == m ) ) then
         675             :           vmr_hox(:ncol,:) = vmr_hox(:ncol,:) +  wgt * vmr(:ncol,:,m)
         676             :        endif
         677             :
         678             :        if ( any( aer_species == m ) ) then
         679             :           call outfld( solsym(m), mmr(:ncol,:,m), ncol ,lchnk )
         680             :           call outfld( trim(solsym(m))//'_SRF', mmr(:ncol,pver,m), ncol ,lchnk )
         681             :        else
         682             :           call outfld( solsym(m), vmr(:ncol,:,m), ncol ,lchnk )
         683             :           call outfld( trim(solsym(m))//'_SRF', vmr(:ncol,pver,m), ncol ,lchnk )
         684             :        endif
         685             :
         686             :        if (has_drydep(solsym(m))) then
         687             :           call outfld( depvel_name(m), depvel(:ncol,m), ncol ,lchnk )
         688             :           call outfld( depflx_name(m), depflx(:ncol,m), ncol ,lchnk )
         689             :        endif
         690             :
         691             :        if ( any( noy_species == m ) ) then
         692             :           df_noy(:ncol) = df_noy(:ncol) +  wgt * depflx(:ncol,m)*N_molwgt/adv_mass(m)
         693             :        endif
         694             :        if ( any( sox_species == m ) ) then
         695             :           df_sox(:ncol) = df_sox(:ncol) +  wgt * depflx(:ncol,m)*S_molwgt/adv_mass(m)
         696             :        endif
         697             :        if ( any( nhx_species == m ) ) then
         698             :           df_nhx(:ncol) = df_nhx(:ncol) +  wgt * depflx(:ncol,m)*N_molwgt/adv_mass(m)
         699             :        endif
         700             :
         701             :        if ( any( noy_species == m ) ) then
         702             :           wd_noy(:ncol) = wd_noy(:ncol) +  wgt * wetdepflx(:ncol,m)*N_molwgt/adv_mass(m)
         703             :        endif
         704             :        if ( any( nhx_species == m ) ) then
         705             :           wd_nhx(:ncol) = wd_nhx(:ncol) +  wgt * wetdepflx(:ncol,m)*N_molwgt/adv_mass(m)
         706             :        endif
         707             : !
         708             : ! add contribution from non-conservation tracers
         709             : !
         710             :        if ( id_ndep == m ) then
         711             :           wd_noy(:ncol) = wd_noy(:ncol) +  wgt * wetdepflx(:ncol,m)*N_molwgt/adv_mass(m)
         712             :        end if
         713             :        if ( id_nhdep == m ) then
         714             :           wd_nhx(:ncol) = wd_nhx(:ncol) +  wgt * wetdepflx(:ncol,m)*N_molwgt/adv_mass(m)
         715             :        end if
         716             :
         717             :        do k=1,pver
         718             :           do i=1,ncol
         719             :              net_chem(i,k) = mmr_tend(i,k,m) * mass(i,k)
         720             :           end do
         721             :        end do
         722             :        call outfld( dtchem_name(m), net_chem(:ncol,:), ncol, lchnk )
         723             : !
         724             : ! CCMI
         725             : !
         726             :        if ( trim(dtchem_name(m)) == 'DO3CHM' ) then
         727             :           do3chm_trp(:) = 0._r8
         728             :           do i=1,ncol
         729             :              do k=ltrop(i),pver
         730             :                 do3chm_trp(i) = do3chm_trp(i) + net_chem(i,k)
         731             :              end do
         732             :           end do
         733             :           where ( do3chm_trp == 0._r8 )
         734             :              do3chm_trp = fillvalue
         735             :           end where
         736             :           call outfld('DO3CHM_TRP',do3chm_trp(:ncol), ncol, lchnk )
         737             :           do3chm_lms(:) = 0._r8
         738             :           do i=1,ncol
         739             :              do k=1,pver
         740             :                 if ( pmid(i,k) > 100.e2_r8 .and. k < ltrop(i) ) then
         741             :                    do3chm_lms(i) = do3chm_lms(i) + net_chem(i,k)
         742             :                 end if
         743             :              end do
         744             :           end do
         745             :           where ( do3chm_lms == 0._r8 )
         746             :              do3chm_lms = fillvalue
         747             :           end where
         748             :           call outfld('DO3CHM_LMS',do3chm_lms(:ncol), ncol, lchnk )
         749             :        end if
         750             : !
         751             :     enddo
         752             :
         753             :
         754           0 :     call outfld( 'NOX',  vmr_nox  (:ncol,:), ncol, lchnk )
         755           0 :     call outfld( 'NOY',  vmr_noy  (:ncol,:), ncol, lchnk )
         756           0 :     call outfld( 'HOX',  vmr_hox  (:ncol,:), ncol, lchnk )
         757           0 :     call outfld( 'NOY_SRF',  vmr_noy(:ncol,pver),  ncol, lchnk )
         758           0 :     call outfld( 'CLOX', vmr_clox (:ncol,:), ncol, lchnk )
         759           0 :     call outfld( 'CLOY', vmr_cloy (:ncol,:), ncol, lchnk )
         760           0 :     call outfld( 'BROX', vmr_brox (:ncol,:), ncol, lchnk )
         761           0 :     call outfld( 'BROY', vmr_broy (:ncol,:), ncol, lchnk )
         762           0 :     call outfld( 'TCLY', vmr_tcly (:ncol,:), ncol, lchnk )
         763           0 :     call outfld( 'TBRY', vmr_tbry (:ncol,:), ncol, lchnk )
         764           0 :     call outfld( 'FOY',  vmr_foy  (:ncol,:), ncol, lchnk )
         765           0 :     call outfld( 'TFY',  vmr_tfy  (:ncol,:), ncol, lchnk )
         766           0 :     call outfld( 'TOTH', vmr_toth (:ncol,:), ncol, lchnk )
         767             :
         768           0 :     call outfld( 'NOY_mmr', mmr_noy(:ncol,:), ncol ,lchnk )
         769           0 :     call outfld( 'SOX_mmr', mmr_sox(:ncol,:), ncol ,lchnk )
         770           0 :     call outfld( 'NHX_mmr', mmr_nhx(:ncol,:), ncol ,lchnk )
         771           0 :     call outfld( 'dry_deposition_NOy_as_N', df_noy(:ncol), ncol ,lchnk )
         772           0 :     call outfld( 'DF_SOX', df_sox(:ncol), ncol ,lchnk )
         773           0 :     call outfld( 'dry_deposition_NHx_as_N', df_nhx(:ncol), ncol ,lchnk )
         774           0 :     if (gas_wetdep_method=='NEU') then
         775           0 :       wd_noy(:ncol) = -wd_noy(:ncol) ! downward is possitive
         776           0 :       wd_nhx(:ncol) = -wd_nhx(:ncol)
         777           0 :       call outfld( 'wet_deposition_NOy_as_N', wd_noy(:ncol), ncol, lchnk )
         778           0 :       call outfld( 'wet_deposition_NHx_as_N', wd_nhx(:ncol), ncol, lchnk )
         779             :     end if
         780             :
         781           0 :     nhx_nitrogen_flx = df_nhx + wd_nhx
         782           0 :     noy_nitrogen_flx = df_noy + wd_noy
         783             :
         784             :     !--------------------------------------------------------------------
         785             :     !   ... euv ion production
         786             :     !--------------------------------------------------------------------
         787             :
         788           0 :     jeuvs: if ( has_jeuvs ) then
         789             :        do k = 1,pver
         790           0 :           un2(:)   = 1._r8 - (vmr(:,k,id_o) + vmr(:,k,id_o2) + vmr(:,k,id_h))
         791             :           wrk(:,k) = vmr(:,k,id_o)*(rxt_rates(:,k,rid_jeuv(1)) + rxt_rates(:,k,rid_jeuv(2)) &
         792             :                + rxt_rates(:,k,rid_jeuv(3)) + rxt_rates(:,k,rid_jeuv(14)) &
         793             :                + rxt_rates(:,k,rid_jeuv(15)) + rxt_rates(:,k,rid_jeuv(16))) &
         794             :                + vmr(:,k,id_n)*rxt_rates(:,k,rid_jeuv(4)) &
         795             :                + vmr(:,k,id_o2)*(rxt_rates(:,k,rid_jeuv(5)) + rxt_rates(:,k,rid_jeuv(7)) &
         796             :                + rxt_rates(:,k,rid_jeuv(8)) + rxt_rates(:,k,rid_jeuv(9)) &
         797             :                + rxt_rates(:,k,rid_jeuv(17)) + rxt_rates(:,k,rid_jeuv(19)) &
         798             :                + rxt_rates(:,k,rid_jeuv(20)) + rxt_rates(:,k,rid_jeuv(21))) &
         799             :                + un2(:)*(rxt_rates(:,k,rid_jeuv(6)) + rxt_rates(:,k,rid_jeuv(10)) &
         800             :                + rxt_rates(:,k,rid_jeuv(11)) + rxt_rates(:,k,rid_jeuv(18)) &
         801             :                + rxt_rates(:,k,rid_jeuv(22)) + rxt_rates(:,k,rid_jeuv(23)))
         802             :           wrk(:,k) = wrk(:,k) * invariants(:,k,indexm)
         803             :        end do
         804             :        call outfld( 'PION_EUV', wrk, ncol, lchnk )
         805             :
         806             :        do k = 1,pver
         807             :           wrk(:,k) = vmr(:,k,id_o)*(rxt_rates(:,k,rid_jeuv(1)) + rxt_rates(:,k,rid_jeuv(2)) &
         808             :                + rxt_rates(:,k,rid_jeuv(3)))
         809             :           wrk(:,k) = wrk(:,k) * invariants(:,k,indexm)
         810             :        end do
         811             :        call outfld( 'PEUV1', wrk, ncol, lchnk )
         812             :        do k = 1,pver
         813             :           wrk(:,k) = vmr(:,k,id_o)*(rxt_rates(:,k,rid_jeuv(14)) + rxt_rates(:,k,rid_jeuv(15)) &
         814             :                + rxt_rates(:,k,rid_jeuv(16)))
         815             :           wrk(:,k) = wrk(:,k) * invariants(:,k,indexm)
         816             :        end do
         817             :        call outfld( 'PEUV1e', wrk, ncol, lchnk )
         818             :        do k = 1,pver
         819             :           wrk(:,k) = vmr(:,k,id_n)*rxt_rates(:,k,rid_jeuv(4))
         820             :           wrk(:,k) = wrk(:,k) * invariants(:,k,indexm)
         821             :        end do
         822             :        call outfld( 'PEUV2', wrk, ncol, lchnk )
         823             :        do k = 1,pver
         824             :           wrk(:,k) = vmr(:,k,id_o2)*(rxt_rates(:,k,rid_jeuv(5)) + rxt_rates(:,k,rid_jeuv(7)) &
         825             :                + rxt_rates(:,k,rid_jeuv(8)) + rxt_rates(:,k,rid_jeuv(9)))
         826             :           wrk(:,k) = wrk(:,k) * invariants(:,k,indexm)
         827             :        end do
         828             :        call outfld( 'PEUV3', wrk, ncol, lchnk )
         829             :        do k = 1,pver
         830             :           wrk(:,k) = vmr(:,k,id_o2)*(rxt_rates(:,k,rid_jeuv(17)) + rxt_rates(:,k,rid_jeuv(19)) &
         831             :                + rxt_rates(:,k,rid_jeuv(20)) + rxt_rates(:,k,rid_jeuv(21)))
         832             :           wrk(:,k) = wrk(:,k) * invariants(:,k,indexm)
         833             :        end do
         834             :        call outfld( 'PEUV3e', wrk, ncol, lchnk )
         835             :        do k = 1,pver
         836             :           un2(:)   = 1._r8 - (vmr(:,k,id_o) + vmr(:,k,id_o2) + vmr(:,k,id_h))
         837             :           wrk(:,k) = un2(:)*(rxt_rates(:,k,rid_jeuv(6)) + rxt_rates(:,k,rid_jeuv(10)) + rxt_rates(:,k,rid_jeuv(11)))
         838             :           wrk(:,k) = wrk(:,k) * invariants(:,k,indexm)
         839             :        end do
         840             :        call outfld( 'PEUV4', wrk, ncol, lchnk )
         841             :        do k = 1,pver
         842             :           un2(:)   = 1._r8 - (vmr(:,k,id_o) + vmr(:,k,id_o2) + vmr(:,k,id_h))
         843             :           wrk(:,k) = un2(:)*(rxt_rates(:,k,rid_jeuv(18)) + rxt_rates(:,k,rid_jeuv(22)) + rxt_rates(:,k,rid_jeuv(23)))
         844             :           wrk(:,k) = wrk(:,k) * invariants(:,k,indexm)
         845             :        end do
         846             :        call outfld( 'PEUV4e', wrk, ncol, lchnk )
         847             :        do k = 1,pver
         848             :           un2(:)   = 1._r8 - (vmr(:,k,id_o) + vmr(:,k,id_o2) + vmr(:,k,id_h))
         849             :           wrk(:,k) = un2(:)*(rxt_rates(:,k,rid_jeuv(11)) + rxt_rates(:,k,rid_jeuv(13)))
         850             :           wrk(:,k) = wrk(:,k) * invariants(:,k,indexm)
         851             :        end do
         852             :        call outfld( 'PEUVN2D', wrk, ncol, lchnk )
         853             :        do k = 1,pver
         854             :           un2(:)   = 1._r8 - (vmr(:,k,id_o) + vmr(:,k,id_o2) + vmr(:,k,id_h))
         855             :           wrk(:,k) = un2(:)*(rxt_rates(:,k,rid_jeuv(23)) + rxt_rates(:,k,rid_jeuv(25)))
         856             :           wrk(:,k) = wrk(:,k) * invariants(:,k,indexm)
         857             :        end do
         858             :        call outfld( 'PEUVN2De', wrk, ncol, lchnk )
         859             :     endif jeuvs
         860             :
         861           0 :     if ( has_jno_i ) then
         862             :        do k = 1,pver
         863           0 :           wrk(:,k) = vmr(:,k,id_no)*rxt_rates(:,k,rid_jno_i)
         864             :           wrk(:,k) = wrk(:,k) * invariants(:,k,indexm)
         865             :        end do
         866             :        call outfld( 'PJNO_I', wrk, ncol, lchnk )
         867             :     endif
         868           0 :     if ( has_jno ) then
         869             :        do k = 1,pver
         870           0 :           wrk(:,k) = vmr(:,k,id_no)*rxt_rates(:,k,rid_jno)
         871             :           wrk(:,k) = wrk(:,k) * invariants(:,k,indexm)
         872             :        end do
         873             :        call outfld( 'PJNO', wrk, ncol, lchnk )
         874             :     endif
         875             :
         876           0 :     call species_sums_output(vmr, mmr, ncol, lchnk)
         877             :
         878           0 :   end subroutine chm_diags
         879             :
         880           0 :   subroutine het_diags( het_rates, mmr, pdel, lchnk, ncol )
         881             :
         882           0 :     use cam_history,  only : outfld
         883             :     use phys_grid,    only : get_wght_all_p
         884             :
         885             :     integer,  intent(in)  :: lchnk
         886             :     integer,  intent(in)  :: ncol
         887             :     real(r8), intent(in)  :: het_rates(ncol,pver,max(1,gas_pcnst))
         888             :     real(r8), intent(in)  :: mmr(ncol,pver,gas_pcnst)
         889             :     real(r8), intent(in)  :: pdel(ncol,pver)
         890             :
         891           0 :     real(r8), dimension(ncol) :: noy_wk, sox_wk, nhx_wk, wrk_wd
         892             :     integer :: m, k
         893           0 :     real(r8) :: wght(ncol)
         894             :     !
         895             :     ! output integrated wet deposition field
         896             :     !
         897           0 :     noy_wk(:) = 0._r8
         898           0 :     sox_wk(:) = 0._r8
         899           0 :     nhx_wk(:) = 0._r8
         900             :
         901           0 :     call get_wght_all_p(lchnk, ncol, wght)
         902             :
         903             :     do m = 1,gas_pcnst
         904             :        !
         905             :        ! compute vertical integral
         906             :        !
         907             :        wrk_wd(:ncol) = 0._r8
         908             :        do k = 1,pver
         909             :           wrk_wd(:ncol) = wrk_wd(:ncol) + het_rates(:ncol,k,m) * mmr(:ncol,k,m) * pdel(:ncol,k)
         910             :        end do
         911             :        !
         912             :        wrk_wd(:ncol) = wrk_wd(:ncol) * rgrav * wght(:ncol) * rearth**2
         913             :        !
         914             :        if (gas_wetdep_method=='MOZ') then
         915             :           call outfld( wetdep_name(m), wrk_wd(:ncol),               ncol, lchnk )
         916             :           call outfld( wtrate_name(m), het_rates(:ncol,:,m), ncol, lchnk )
         917             :
         918             :           if ( any(noy_species == m ) ) then
         919             :              noy_wk(:ncol) = noy_wk(:ncol) + wrk_wd(:ncol)*N_molwgt/adv_mass(m)
         920             :           endif
         921             :           if ( m == id_n2o5 ) then  ! 2 NOy molecules in N2O5
         922             :              noy_wk(:ncol) = noy_wk(:ncol) + wrk_wd(:ncol)*N_molwgt/adv_mass(m)
         923             :           endif
         924             :           if ( any(sox_species == m ) ) then
         925             :              sox_wk(:ncol) = sox_wk(:ncol) + wrk_wd(:ncol)*S_molwgt/adv_mass(m)
         926             :           endif
         927             :           if ( any(nhx_species == m ) ) then
         928             :              nhx_wk(:ncol) = nhx_wk(:ncol) + wrk_wd(:ncol)*N_molwgt/adv_mass(m)
         929             :           endif
         930             :        endif
         931             :     end do
         932           0 :     if (gas_wetdep_method=='MOZ') then
         933           0 :        call outfld( 'wet_deposition_NOy_as_N', noy_wk(:ncol), ncol, lchnk )
         934           0 :        call outfld( 'WD_SOX', sox_wk(:ncol), ncol, lchnk )
         935           0 :        call outfld( 'wet_deposition_NHx_as_N', nhx_wk(:ncol), ncol, lchnk )
         936             :     endif
         937             :
         938           0 :   end subroutine het_diags
         939             :
         940             : end module mo_chm_diags

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