Commits

Glenn Hammond  committed 137ec1a

Added option to print both total and free ion concentrations; totals are no longer default. Updated regression tests to reflect change.

  • Participants
  • Parent commits 3de9cf3

Comments (0)

Files changed (80)

File regression_tests/ascem/1d/1d-calcite/1d-calcite-np2.in

   ACTIVITY_COEFFICIENTS TIMESTEP
   OUTPUT
     All
+    TOTAL
   /
 END
 

File regression_tests/ascem/1d/1d-calcite/1d-calcite.in

   ACTIVITY_COEFFICIENTS TIMESTEP
   OUTPUT
     All
+    TOTAL
   /
 END
 

File regression_tests/ascem/batch/ca-carbonate-debye-huckel-activity.in

 ACTIVITY_COEFFICIENTS TIMESTEP
 OUTPUT
   ALL
+  TOTAL
   ACTIVITY_COEFFICIENTS
 /
 /

File regression_tests/ascem/batch/ca-carbonate-unit-activity.in

 
 OUTPUT
   ALL
+  TOTAL
   ACTIVITY_COEFFICIENTS
 /
 /

File regression_tests/ascem/batch/calcite-kinetics-volume-fractions.in

 
   OUTPUT
     All
+    TOTAL
   /
 END
 

File regression_tests/ascem/batch/calcite-kinetics.in

   ACTIVITY_COEFFICIENTS TIMESTEP
   OUTPUT
     All
+    TOTAL
   /
 END
 

File regression_tests/ascem/batch/carbonate-debye-huckel-activity.in

 
  OUTPUT
     ALL
+    TOTAL
     ACTIVITY_COEFFICIENTS
   /
 /

File regression_tests/ascem/batch/carbonate-unit-activity.in

 OUTPUT
   ACTIVITY_COEFFICIENTS
   ALL
+  TOTAL
 /
 /
 

File regression_tests/ascem/batch/general-reaction.in

 #  LOG_FORMULATION
   OUTPUT
     All
+    TOTAL
   /
 /
 

File regression_tests/ascem/batch/ion-exchange-valocchi.in

 #  ACTIVITY_COEFFICIENTS OFF
   OUTPUT
     all
+    TOTAL
     TOTAL_SORBED
   /
 END

File regression_tests/ascem/batch/ionx-valocchi.in

 #  ACTIVITY_COEFFICIENTS OFF
   OUTPUT
     all
+    TOTAL
     TOTAL_SORBED
   /
 END

File regression_tests/ascem/batch/surface-complexation-1.in

   ACTIVITY_COEFFICIENTS TIMESTEP
   OUTPUT
     all
+    TOTAL
     TOTAL_SORBED
   /
 END

File regression_tests/default/543/543_flow_and_tracer-np8.in

   /
   OUTPUT
     All
+    TOTAL
   /
 END
 

File regression_tests/default/543/543_flow_and_tracer.in

   /
   OUTPUT
     All
+    TOTAL
   /
 END
 

File regression_tests/default/543/543_flow_and_tracer_init_to_ss.in

   /
   OUTPUT
     All
+    TOTAL
   /
 END
 

File regression_tests/default/543/543_flow_and_tracer_run_as_ss.in

   /
   OUTPUT
     All
+    TOTAL
   /
 END
 

File regression_tests/default/543/543_hanford_srfcplx_base.in

   OUTPUT
     All
     pH
+    TOTAL
     TOTAL_SORBED
     KD
   /

File regression_tests/default/543/543_hanford_srfcplx_base_restart.in

   OUTPUT
     All
     pH
+    TOTAL
     TOTAL_SORBED
     KD
   /

File regression_tests/default/543/543_hanford_srfcplx_mr.in

   OUTPUT
     All
     pH
+    TOTAL
     TOTAL_SORBED
     KD
   /

File regression_tests/default/543/543_hanford_srfcplx_param-np8.in

   OUTPUT
     All
     pH
+    TOTAL
     TOTAL_SORBED
     KD
   /

File regression_tests/default/543/543_hanford_srfcplx_param.in

   OUTPUT
     All
     pH
+    TOTAL
     TOTAL_SORBED
     KD
   /

File regression_tests/default/anisothermal/th_1d.in

   ACTIVITY_COEFFICIENTS TIMESTEP
   OUTPUT
     PH
+    TOTAL
     all
   /
 END

File regression_tests/default/anisothermal/thc_1d.in

   ACTIVITY_COEFFICIENTS TIMESTEP
   OUTPUT
     PH
+    TOTAL
     all
   /
 END

File regression_tests/default/column/ABC_general_KD.in

   DATABASE ../../../database/hanford.dat
   OUTPUT
     all
+    TOTAL
   /
 END
 

File regression_tests/default/column/ABC_microbial.in

   ACTIVITY_COEFFICIENTS OFF
   OUTPUT
     all
+    TOTAL
   /
 END
 

File regression_tests/default/column/solute_KD.in

   DATABASE ../../../database/hanford.dat
   OUTPUT
     all
+    TOTAL
   /
 END
 

File regression_tests/default/column/surface_complexation_den.in

   OUTPUT
     All
     pH
+    TOTAL
     TOTAL_SORBED
     KD
   /

File regression_tests/default/column/surface_complexation_vf.in

   OUTPUT
     All
     pH
+    TOTAL
     TOTAL_SORBED
     KD
   /

File regression_tests/default/column/tracer.in

     Tracer
   /
   OUTPUT
+    TOTAL
     all
   /
 END

File regression_tests/default/column/valocchi_ionx.in

   LOG_FORMULATION
   OUTPUT
     all
+    TOTAL
     TOTAL_SORBED
   /
 END

File regression_tests/default/condition/543_datum_dataset-np4.in

   PRIMARY_SPECIES
     Tracer
   /
+  OUTPUT
+    TOTAl
+  /
 /
 
 #=========================== solver options ===================================

File regression_tests/default/condition/543_datum_dataset.in

   PRIMARY_SPECIES
     Tracer
   /
+  OUTPUT
+    TOTAl
+  /
 /
 
 #=========================== solver options ===================================

File regression_tests/default/condition/543_timeseries.in

   PRIMARY_SPECIES
     Tracer
   /
+  OUTPUT
+    TOTAl
+  /
 /
 
 #=========================== solver options ===================================

File regression_tests/default/discretization/mixed_explicit-np4.in

     Tracer2
     Tracer3
   /
+  OUTPUT
+    TOTAL
+  /
 END
 
 #=========================== discretization ===================================

File regression_tests/default/discretization/mixed_explicit.in

     Tracer2
     Tracer3
   /
+  OUTPUT
+    TOTAL
+  /
 END
 
 #=========================== discretization ===================================

File regression_tests/default/discretization/mixed_implicit-np4.in

     Tracer2
     Tracer3
   /
+  OUTPUT
+    TOTAL
+  /
 END
 
 #=========================== discretization ===================================

File regression_tests/default/discretization/mixed_implicit.in

     Tracer2
     Tracer3
   /
+  OUTPUT
+    TOTAL
+  /
 END
 
 #=========================== discretization ===================================

File regression_tests/default/discretization/structured_543.in

   PRIMARY_SPECIES
     Tracer
   /
+  OUTPUT
+    TOTAL
+  /
 /
 
 #=========================== solver options ===================================

File regression_tests/default/materials/soil_compressibility/calcite_vsat_flow_and_tran_bragflo.in

   OUTPUT
     PH
     all
+    TOTAL
   /
 END
 

File regression_tests/default/materials/soil_compressibility/calcite_vsat_flow_and_tran_leijnse.in

   OUTPUT
     PH
     all
+    TOTAL
   /
 END
 

File regression_tests/default/multicontinuum/reaction_log10.in

   MOLAL
   OUTPUT
     All
+    TOTAL
   /
 /
 

File regression_tests/default/multicontinuum/tracer_1D.in

   MOLAL
   OUTPUT
     All
+    TOTAL
   /
 /
 

File regression_tests/general/calcite_flow_and_tran_general.in

   OUTPUT
     PH
     all
+    TOTAL
   /
 END
 

File regression_tests/general/calcite_flow_and_tran_richards.in

   OUTPUT
     PH
     all
+    TOTAL
   /
 END
 

File regression_tests/geothermal_hpt/1D_Calcite/calcite_tran_only_hpt.in

   ACTIVITY_COEFFICIENTS TIMESTEP
   OUTPUT
     PH
+    TOTAL
     all
   /
 END

File regression_tests/mtest/fail-concentration.in

 OUTPUT
   ACTIVITY_COEFFICIENTS
   ALL
+  TOTAL
 /
 /
 

File regression_tests/mtest/fail-discrete-mean.in

 OUTPUT
   ACTIVITY_COEFFICIENTS
   ALL
+  TOTAL
 /
 /
 

File regression_tests/mtest/fail-discrete.in

 OUTPUT
   ACTIVITY_COEFFICIENTS
   ALL
+  TOTAL
 /
 /
 

File regression_tests/mtest/fail-generic.in

 OUTPUT
   ACTIVITY_COEFFICIENTS
   ALL
+  TOTAL
 /
 /
 

File regression_tests/mtest/fail-rate.in

   ACTIVITY_COEFFICIENTS TIMESTEP
   OUTPUT
     All
+    TOTAL
   /
 END
 

File regression_tests/mtest/fail-section-extra.in

 OUTPUT
   ACTIVITY_COEFFICIENTS
   ALL
+  TOTAL
 /
 /
 

File regression_tests/mtest/fail-section-missing.in

 OUTPUT
   ACTIVITY_COEFFICIENTS
   ALL
+  TOTAL
 /
 /
 

File regression_tests/mtest/fail-solution-cuts.in

   ACTIVITY_COEFFICIENTS TIMESTEP
   OUTPUT
     All
+    TOTAL
   /
 END
 

File regression_tests/mtest/fail-solution-linear.in

   ACTIVITY_COEFFICIENTS TIMESTEP
   OUTPUT
     All
+    TOTAL
   /
 END
 

File regression_tests/mtest/fail-solution-newton.in

   ACTIVITY_COEFFICIENTS TIMESTEP
   OUTPUT
     All
+    TOTAL
   /
 END
 

File regression_tests/mtest/fail-solution-r2norm.in

   ACTIVITY_COEFFICIENTS TIMESTEP
   OUTPUT
     All
+    TOTAL
   /
 END
 

File regression_tests/mtest/fail-solution-s2norm.in

   ACTIVITY_COEFFICIENTS TIMESTEP
   OUTPUT
     All
+    TOTAL
   /
 END
 

File regression_tests/mtest/fail-solution-steps.in

   ACTIVITY_COEFFICIENTS TIMESTEP
   OUTPUT
     All
+    TOTAL
   /
 END
 

File regression_tests/mtest/fail-solution-time.in

   ACTIVITY_COEFFICIENTS TIMESTEP
   OUTPUT
     All
+    TOTAL
   /
 END
 

File regression_tests/mtest/fail-vector-length.in

 OUTPUT
   ACTIVITY_COEFFICIENTS
   ALL
+  TOTAL
 /
 /
 

File regression_tests/mtest/fail-volume-fraction.in

   ACTIVITY_COEFFICIENTS TIMESTEP
   OUTPUT
     All
+    TOTAL
   /
 END
 

File regression_tests/ngee/CLM-CN.in

   DATABASE ./CLM-CN_database.dat
   OUTPUT
     all
+    TOTAL
   /
 END
 

File regression_tests/ngee/mass_transfer_1d_in_z_1d.in

   ACTIVITY_COEFFICIENTS TIMESTEP
   OUTPUT
     all
+    TOTAL
   /
 END
 

File regression_tests/ngee/mass_transfer_1d_in_z_3d-np4.in

   ACTIVITY_COEFFICIENTS TIMESTEP
   OUTPUT
     all
+    TOTAL
   /
 END
 

File regression_tests/ngee/mass_transfer_1d_in_z_3d.in

   ACTIVITY_COEFFICIENTS TIMESTEP
   OUTPUT
     all
+    TOTAL
   /
 END
 

File regression_tests/shortcourse/1D_Calcite/calcite_flow_and_tran.in

   ACTIVITY_COEFFICIENTS TIMESTEP
   OUTPUT
     PH
+    TOTAL
+    FREE_ION
     all
   /
 END

File regression_tests/shortcourse/1D_Calcite/calcite_flow_and_tran.regression.gold

        61:   1.9121179946058E-03
        81:   1.8999005236406E-03
 -- CONCENTRATION: Total Ca++ --
-      Max:   9.2911290136598E-04
+      Max:   9.2911290136597E-04
       Min:   1.6792861826849E-05
      Mean:   6.0279115092489E-04
         1:   1.6792866209900E-05
        41:   9.2911282847524E-04
        61:   9.2885136004708E-04
        81:   9.0082229493757E-04
+-- CONCENTRATION: Free H+ --
+      Max:   1.0060835693934E-05
+      Min:   1.4279247162623E-08
+     Mean:   3.2168111964499E-06
+        1:   1.0060835693934E-05
+       21:   1.0060833133890E-05
+       41:   1.8654799191292E-08
+       61:   1.8649123153175E-08
+       81:   1.8036779681452E-08
+-- CONCENTRATION: Free HCO3- --
+      Max:   1.8174790682161E-03
+      Min:   4.3637216048475E-05
+     Mean:   1.2183007984421E-03
+        1:   4.3637227529611E-05
+       21:   4.3637216473543E-05
+       41:   1.8174789725812E-03
+       61:   1.8173905744911E-03
+       81:   1.8079754282029E-03
+-- CONCENTRATION: Free Ca++ --
+      Max:   9.0737043908975E-04
+      Min:   1.6784965772260E-05
+     Mean:   5.8876801685369E-04
+        1:   1.6784970153276E-05
+       21:   1.6784965906077E-05
+       41:   9.0737036725788E-04
+       61:   9.0711339566819E-04
+       81:   8.7956904784628E-04
 -- VOLUME_FRACTION: Calcite VF --
-      Max:   1.0000161869261E-05
+      Max:   1.0000161869267E-05
       Min:   0.0000000000000E+00
      Mean:   6.5605807356968E-06
         1:   0.0000000000000E+00
        21:   0.0000000000000E+00
-       41:   9.9997405189086E-06
-       61:   9.9997849505216E-06
-       81:   9.9998866445762E-06
+       41:   9.9997405189034E-06
+       61:   9.9997849505262E-06
+       81:   9.9998866445664E-06
 -- RATE: Calcite Rate --
       Max:   1.8651213906651E-15
       Min:  -1.3347676149493E-08
-     Mean:  -1.3377234797374E-10
+     Mean:  -1.3377234797362E-10
         1:   0.0000000000000E+00
        21:   0.0000000000000E+00
-       41:   5.2402526762307E-20
-       61:   1.8280754687794E-16
+       41:   5.1514348342607E-20
+       61:   1.8280843505636E-16
        81:  -2.1807542438523E-15
 -- DISCRETE: Material ID --
       Max:         1
        61:   1.0000007617327E+00  0.0000000000000E+00  0.0000000000000E+00
        81:   1.0000010156447E+00  0.0000000000000E+00  0.0000000000000E+00
 -- SOLUTION: Flow --
-   Time (seconds):   4.4089651107788E-01
+   Time (seconds):   8.1831693649292E-02
    Time Steps:          111
    Newton Iterations:          116
    Solver Iterations:          116
    Solution 2-Norm:   2.0273840107830E+06
    Residual 2-Norm:   1.3546622213793E-17
 -- SOLUTION: Transport --
-   Time (seconds):   3.1137890815735E+00
+   Time (seconds):   7.6313662528992E-01
    Time Steps:          143
    Newton Iterations:          697
    Solver Iterations:          697
    Time Step Cuts:            0
    Solution 2-Norm:   1.6399179719014E-02
-   Residual 2-Norm:   1.8696189990666E-20
+   Residual 2-Norm:   1.7580283018700E-20

File regression_tests/shortcourse/1D_Calcite/calcite_tran_only.in

   ACTIVITY_COEFFICIENTS TIMESTEP
   OUTPUT
     PH
+    TOTAL
+    FREE_ION
     all
   /
 END

File regression_tests/shortcourse/1D_Calcite/calcite_tran_only.regression.gold

        41:   9.2863141512642E-04
        61:   9.2886857658227E-04
        81:   8.9953051810084E-04
+-- CONCENTRATION: Free H+ --
+      Max:   1.0061292086602E-05
+      Min:   1.4269628243680E-08
+     Mean:   3.7465001255341E-06
+        1:   1.0061292086602E-05
+       21:   1.0061292086175E-05
+       41:   1.8790397668658E-08
+       61:   1.8651302802695E-08
+       81:   1.8007236477845E-08
+-- CONCENTRATION: Free HCO3- --
+      Max:   1.8176124233112E-03
+      Min:   4.3637218495729E-05
+     Mean:   1.1174070296331E-03
+        1:   4.3637218495729E-05
+       21:   4.3637218497574E-05
+       41:   1.8167337330544E-03
+       61:   1.8175080479683E-03
+       81:   1.8076584068837E-03
+-- CONCENTRATION: Free Ca++ --
+      Max:   9.0743481110409E-04
+      Min:   1.6784737694656E-05
+     Mean:   5.3783455784714E-04
+        1:   1.6784737694656E-05
+       21:   1.6784737695788E-05
+       41:   9.0695792052189E-04
+       61:   9.0712920606774E-04
+       81:   8.7830089195112E-04
 -- VOLUME_FRACTION: Calcite VF --
       Max:   9.9997873484742E-06
       Min:   0.0000000000000E+00
        61:         1
        81:         1
 -- SOLUTION: Transport --
-   Time (seconds):   2.8930301666260E+00
+   Time (seconds):   7.4214887619019E-01
    Time Steps:          130
    Newton Iterations:          669
    Solver Iterations:          669

File regression_tests/shortcourse/1D_Calcite/calcite_vsat_flow_and_tran.in

   ACTIVITY_COEFFICIENTS TIMESTEP
   OUTPUT
     PH
+    TOTAL
+    FREE_ION
     all
   /
 END

File regression_tests/shortcourse/1D_Calcite/calcite_vsat_flow_and_tran.regression.gold

         1:   5.4016047588709E-05
        21:   5.4019987939997E-05
        41:   5.5445727613204E-05
-       61:   9.6637106430673E-04
+       61:   9.6637106430674E-04
        81:   9.6637106433532E-04
 -- CONCENTRATION: Total HCO3- --
       Max:   1.9123081444412E-03
        21:   1.9123078723580E-03
        41:   1.9108821348721E-03
        61:   9.9995679817829E-04
-       81:   9.9995679814971E-04
+       81:   9.9995679814970E-04
 -- CONCENTRATION: Total Ca++ --
       Max:   9.2914394267658E-04
       Min:   1.6792866674735E-05
        41:   9.2771820339705E-04
        61:   1.6792866703320E-05
        81:   1.6792866674735E-05
+-- CONCENTRATION: Free H+ --
+      Max:   1.0060835706741E-05
+      Min:   1.8655861827707E-08
+     Mean:   5.6305411675569E-06
+        1:   1.8655861827707E-08
+       21:   1.8656754993498E-08
+       41:   1.9001695816148E-08
+       61:   1.0060835696037E-05
+       81:   1.0060835706741E-05
+-- CONCENTRATION: Free HCO3- --
+      Max:   1.8175422244830E-03
+      Min:   4.3637227755534E-05
+     Mean:   7.8299749775567E-04
+        1:   1.8175344495400E-03
+       21:   1.8175415895316E-03
+       41:   1.8152520727472E-03
+       61:   4.3637227801978E-05
+       81:   4.3637227755534E-05
+-- CONCENTRATION: Free Ca++ --
+      Max:   9.0740025437892E-04
+      Min:   1.6784970259790E-05
+     Mean:   3.8810368156896E-04
+        1:   9.0736013780502E-04
+       21:   9.0740025013564E-04
+       41:   9.0615864464628E-04
+       61:   1.6784970288354E-05
+       81:   1.6784970259790E-05
 -- VOLUME_FRACTION: Calcite VF --
-      Max:   9.9998397654740E-06
+      Max:   9.9998397654778E-06
       Min:   0.0000000000000E+00
      Mean:   4.0389240273021E-06
-        1:   9.9998155715088E-06
-       21:   9.9995984037568E-06
-       41:   3.9240267611772E-06
+        1:   9.9998155715098E-06
+       21:   9.9995984037504E-06
+       41:   3.9240267611761E-06
        61:   0.0000000000000E+00
        81:   0.0000000000000E+00
 -- RATE: Calcite Rate --
-      Max:   1.2221086365116E-15
-      Min:  -2.0731208321747E-08
-     Mean:  -2.0790578093387E-10
-        1:   8.8042462209614E-17
+      Max:   1.2221059719764E-15
+      Min:  -2.0731208321749E-08
+     Mean:  -2.0790578093376E-10
+        1:   8.8043350388034E-17
        21:   1.0125233984581E-19
-       41:  -2.0731208321747E-08
+       41:  -2.0731208321749E-08
        61:   0.0000000000000E+00
        81:   0.0000000000000E+00
 -- DISCRETE: Material ID --
        61:   0.0000000000000E+00  0.0000000000000E+00 -1.0000000000000E-01
        81:   0.0000000000000E+00  0.0000000000000E+00 -1.0000000000000E-01
 -- SOLUTION: Flow --
-   Time (seconds):   6.6174364089966E-01
+   Time (seconds):   1.3289690017700E-01
    Time Steps:          112
    Newton Iterations:          183
    Solver Iterations:          183
    Time Step Cuts:            0
    Solution 2-Norm:   7.5249607845991E+05
-   Residual 2-Norm:   2.4882444925524E-17
+   Residual 2-Norm:   2.4882444926097E-17
 -- SOLUTION: Transport --
-   Time (seconds):   3.4406290054321E+00
+   Time (seconds):   8.5346484184265E-01
    Time Steps:          144
    Newton Iterations:          789
    Solver Iterations:          789
    Time Step Cuts:            0
    Solution 2-Norm:   1.3090022325858E-02
-   Residual 2-Norm:   1.1922373254132E-21
+   Residual 2-Norm:   1.2604142716357E-21

File regression_tests/shortcourse/copper_leaching/cu_leaching.in

   ACTIVITY_COEFFICIENTS TIMESTEP
   OUTPUT
     PH
+    TOTAL
     all
   /
 END

File regression_tests/shortcourse/regional_doublet/regional_doublet_small-np8.in

     Tracer
     Tracer2
   /
+  OUTPUT
+    TOTAL
+  /
 END
 
 #=========================== solver options ===================================

File regression_tests/shortcourse/regional_doublet/regional_doublet_small.in

     Tracer
     Tracer2
   /
+  OUTPUT
+    TOTAL
+  /
 END
 
 #=========================== solver options ===================================

File regression_tests/shortcourse/regional_doublet/stochastic_regional_doublet_small-np8.in

     Tracer
     Tracer2
   /
+  OUTPUT
+    TOTAL
+  /
 END
 
 #=========================== solver options ===================================

File regression_tests/shortcourse/regional_doublet/stochastic_regional_doublet_small.in

     Tracer
     Tracer2
   /
+  OUTPUT
+    TOTAL
+  /
 END
 
 #=========================== solver options ===================================

File regression_tests/wipp/nuts/case3.in

   DATABASE ../../../database/hanford.dat
   OUTPUT
     all
+    TOTAL
   /
 END
 

File regression_tests/wipp/nuts/case4r1_modified.in

   DATABASE ../../../database/hanford.dat
   OUTPUT
     all
+    TOTAL
   /
 END
 

File src/pflotran/reaction.F90

         reaction%print_total_sorb_mobile = PETSC_FALSE
         reaction%print_colloid = PETSC_FALSE
         reaction%print_act_coefs = PETSC_FALSE
-        reaction%print_total_component = PETSC_TRUE
+        reaction%print_total_component = PETSC_FALSE
         reaction%print_free_ion = PETSC_FALSE
       case('ALL')
         reaction%print_all_species = PETSC_TRUE
         reaction%print_kd = PETSC_TRUE
       case('COLLOIDS')
         reaction%print_colloid = PETSC_TRUE
+      case('TOTAL')
+        reaction%print_total_component = PETSC_TRUE
       case('TOTAL_SORBED')
         reaction%print_total_sorb = PETSC_TRUE
       case('TOTAL_BULK')
       case('TOTAL_SORBED_MOBILE')
         reaction%print_total_sorb_mobile = PETSC_TRUE
       case('FREE_ION')
-        reaction%print_total_component = PETSC_FALSE
         reaction%print_free_ion = PETSC_TRUE
       case('ACTIVITY_COEFFICIENTS')
         reaction%print_act_coefs = PETSC_TRUE

File src/pflotran/reaction_aux.F90

   reaction%calculate_tracer_age = PETSC_FALSE
   reaction%calculate_water_age = PETSC_FALSE
   reaction%print_age = PETSC_FALSE
-  reaction%print_total_component = PETSC_TRUE
+  reaction%print_total_component = PETSC_FALSE
   reaction%print_free_ion = PETSC_FALSE
   reaction%print_total_bulk = PETSC_FALSE
   reaction%use_geothermal_hpt = PETSC_FALSE