diff --git a/src/partmc.F90 b/src/partmc.F90 index b64578225..33e94e53c 100644 --- a/src/partmc.F90 +++ b/src/partmc.F90 @@ -753,7 +753,7 @@ subroutine partmc_part(file) end if if (run_part_opt%do_tchem) then - call pmc_tchem_initialize(tchem_config_filename, gas_data, gas_state, aero_data) + call pmc_tchem_initialize(tchem_config_filename, gas_data, gas_state_init, aero_data) end if ! re-initialize RNG with the given seed diff --git a/src/tchem_interface.F90 b/src/tchem_interface.F90 index 848ddc8b5..afd9c82f5 100644 --- a/src/tchem_interface.F90 +++ b/src/tchem_interface.F90 @@ -70,6 +70,8 @@ subroutine pmc_tchem_initialize(config_filename, gas_data, gas_state, aero_data) call gas_state_set_size(gas_state, nSpec) + + call TChem_getSpeciesNames() ! name of gas species !do i = 1,nSpec ! gas_data%name(i) = "H2O" diff --git a/test/additive/run_part.spec b/test/additive/run_part.spec index bd86e3efd..f506c94eb 100644 --- a/test/additive/run_part.spec +++ b/test/additive/run_part.spec @@ -12,6 +12,7 @@ t_output 60 # output interval (0 disables) (s) t_progress 60 # progress printing interval (0 disables) (s) do_camp_chem no # whether to run the campible chemistry module +do_tchem no gas_data gas_data.dat # file containing gas data gas_init gas_init.dat # initial gas mixing ratios diff --git a/test/average/run_part.spec b/test/average/run_part.spec index 7e762a611..beff64cd7 100644 --- a/test/average/run_part.spec +++ b/test/average/run_part.spec @@ -11,6 +11,7 @@ t_output 600 # output interval (0 disables) (s) t_progress 600 # progress printing interval (0 disables) (s) do_camp_chem no # whether to run the campible chemistry module +do_tchem no gas_data gas_data.dat # file containing gas data gas_init gas_init.dat # initial gas mixing ratios diff --git a/test/bidisperse/run_part.spec b/test/bidisperse/run_part.spec index 845740b9d..1b4f6a7f8 100644 --- a/test/bidisperse/run_part.spec +++ b/test/bidisperse/run_part.spec @@ -11,6 +11,7 @@ t_output 10 # output interval (0 disables) (s) t_progress 60 # progress printing interval (0 disables) (s) do_camp_chem no # whether to run the campible chemistry module +do_tchem no gas_data gas_data.dat # file containing gas data gas_init gas_init.dat # initial gas mixing ratios diff --git a/test/brownian/run_part.spec b/test/brownian/run_part.spec index 8d92b6439..5815cc74f 100644 --- a/test/brownian/run_part.spec +++ b/test/brownian/run_part.spec @@ -11,6 +11,7 @@ t_output 3600 # output interval (0 disables) (s) t_progress 21600 # progress printing interval (0 disables) (s) do_camp_chem no # whether to run the campible chemistry module +do_tchem no gas_data gas_data.dat # file containing gas data gas_init gas_init.dat # initial gas mixing ratios diff --git a/test/camp/camp.spec b/test/camp/camp.spec index dcdb4fed2..f4554e665 100644 --- a/test/camp/camp.spec +++ b/test/camp/camp.spec @@ -12,6 +12,7 @@ t_progress 3600 # progress printing interval (0 disables) (s) do_camp_chem yes # whether to use CAMP for chemistry camp_config config.json +do_tchem no gas_init gas_init.dat # initial gas concentrations diff --git a/test/condense/run_part.spec b/test/condense/run_part.spec index 86cd321c2..ac2268715 100644 --- a/test/condense/run_part.spec +++ b/test/condense/run_part.spec @@ -11,6 +11,7 @@ t_output 10 # output interval (0 disables) (s) t_progress 60 # progress printing interval (0 disables) (s) do_camp_chem no # whether to run the campible chemistry module +do_tchem no gas_data gas_data.dat # file containing gas data gas_init gas_init.dat # initial gas mixing ratios diff --git a/test/emission/run_part.spec b/test/emission/run_part.spec index 8c8564030..ea96c5f5f 100644 --- a/test/emission/run_part.spec +++ b/test/emission/run_part.spec @@ -11,6 +11,7 @@ t_output 1200 # output interval (0 disables) (s) t_progress 3600 # progress printing interval (0 disables) (s) do_camp_chem no # whether to run the campible chemistry module +do_tchem no gas_data gas_data.dat # file containing gas data gas_init gas_init.dat # initial gas mixing ratios diff --git a/test/fractal/run_part_brown_cont_df_1_8_restart.spec b/test/fractal/run_part_brown_cont_df_1_8_restart.spec index e8a9c04e5..e5032f9c0 100644 --- a/test/fractal/run_part_brown_cont_df_1_8_restart.spec +++ b/test/fractal/run_part_brown_cont_df_1_8_restart.spec @@ -11,6 +11,7 @@ t_output 5000 # output interval (0 disables) (s) t_progress 1000 # progress printing interval (0 disables) (s) do_camp_chem no # whether to run the campible chemistry module +do_tchem no temp_profile temp_cont.dat # temperature profile file pressure_profile pressure.dat # pressure profile file diff --git a/test/fractal/run_part_brown_cont_df_1_8_upto1000s.spec b/test/fractal/run_part_brown_cont_df_1_8_upto1000s.spec index bc8ce6607..d916b5061 100644 --- a/test/fractal/run_part_brown_cont_df_1_8_upto1000s.spec +++ b/test/fractal/run_part_brown_cont_df_1_8_upto1000s.spec @@ -11,6 +11,7 @@ t_output 50 # output interval (0 disables) (s) t_progress 10 # progress printing interval (0 disables) (s) do_camp_chem no # whether to run the campible chemistry module +do_tchem no gas_data gas_data.dat # file containing gas data gas_init gas_init.dat # initial gas mixing ratios diff --git a/test/fractal/run_part_brown_free_df_2_4_restart.spec b/test/fractal/run_part_brown_free_df_2_4_restart.spec index 0e60f2a2b..b170d1e72 100644 --- a/test/fractal/run_part_brown_free_df_2_4_restart.spec +++ b/test/fractal/run_part_brown_free_df_2_4_restart.spec @@ -11,6 +11,7 @@ t_output 5000 # output interval (0 disables) (s) t_progress 1000 # progress printing interval (0 disables) (s) do_camp_chem no # whether to run the campible chemistry module +do_tchem no temp_profile temp_free.dat # temperature profile file pressure_profile pressure.dat # pressure profile file diff --git a/test/fractal/run_part_brown_free_df_2_4_upto1000s.spec b/test/fractal/run_part_brown_free_df_2_4_upto1000s.spec index 59a431a9a..33b721915 100644 --- a/test/fractal/run_part_brown_free_df_2_4_upto1000s.spec +++ b/test/fractal/run_part_brown_free_df_2_4_upto1000s.spec @@ -11,6 +11,7 @@ t_output 50 # output interval (0 disables) (s) t_progress 10 # progress printing interval (0 disables) (s) do_camp_chem no # whether to run the campible chemistry module +do_tchem no gas_data gas_data.dat # file containing gas data gas_init gas_init.dat # initial gas mixing ratios diff --git a/test/loss/run_chamber_part.spec b/test/loss/run_chamber_part.spec index 89bbce0e5..59f1e8364 100644 --- a/test/loss/run_chamber_part.spec +++ b/test/loss/run_chamber_part.spec @@ -11,6 +11,7 @@ t_output 3600 # output interval (0 disables) (s) t_progress 3600 # progress printing interval (0 disables) (s) do_camp_chem no # whether to run the campible chemistry module +do_tchem no gas_data gas_data.dat # file containing gas data gas_init gas_init.dat # initial gas mixing ratios diff --git a/test/loss/run_constant_part.spec b/test/loss/run_constant_part.spec index dafd4bd8a..75aa2c20c 100644 --- a/test/loss/run_constant_part.spec +++ b/test/loss/run_constant_part.spec @@ -11,6 +11,7 @@ t_output 600 # output interval (0 disables) (s) t_progress 600 # progress printing interval (0 disables) (s) do_camp_chem no # whether to run the campible chemistry module +do_tchem no gas_data gas_data.dat # file containing gas data gas_init gas_init.dat # initial gas mixing ratios diff --git a/test/loss/run_drydep_part.spec b/test/loss/run_drydep_part.spec index 234b8ad16..7ec34fb68 100644 --- a/test/loss/run_drydep_part.spec +++ b/test/loss/run_drydep_part.spec @@ -11,6 +11,7 @@ t_output 21600 # output interval (0 disables) (s) t_progress 14400 # progress printing interval (0 disables) (s) do_camp_chem no # whether to run the campible chemistry module +do_tchem no gas_data gas_data.dat # file containing gas data gas_init gas_init.dat # initial gas mixing ratios diff --git a/test/loss/run_volume_part.spec b/test/loss/run_volume_part.spec index 84c4d5bc6..62de2e45e 100644 --- a/test/loss/run_volume_part.spec +++ b/test/loss/run_volume_part.spec @@ -11,6 +11,7 @@ t_output 60 # output interval (0 disables) (s) t_progress 60 # progress printing interval (0 disables) (s) do_camp_chem no # whether to run the campible chemistry module +do_tchem no gas_data gas_data.dat # file containing gas data gas_init gas_init.dat # initial gas mixing ratios diff --git a/test/mixing_state/run_part.spec b/test/mixing_state/run_part.spec index 1f8eb8afe..928fc43b3 100644 --- a/test/mixing_state/run_part.spec +++ b/test/mixing_state/run_part.spec @@ -11,6 +11,7 @@ t_output 1 # output interval (0 disables) (s) t_progress 1 # progress printing interval (0 disables) (s) do_camp_chem no # whether to run the campible chemistry module +do_tchem no gas_data gas_data.dat # file containing gas data gas_init gas_init.dat # initial gas concentrations diff --git a/test/mosaic/run_part.spec b/test/mosaic/run_part.spec index 5e3e54763..3f75baab5 100644 --- a/test/mosaic/run_part.spec +++ b/test/mosaic/run_part.spec @@ -11,6 +11,7 @@ t_output 3600 # output interval (0 disables) (s) t_progress 3600 # progress printing interval (0 disables) (s) do_camp_chem no # whether to run the campible chemistry module +do_tchem no gas_data gas_data.dat # file containing gas data gas_init gas_init.dat # initial gas mixing ratios diff --git a/test/mosaic/run_part_restarted.spec b/test/mosaic/run_part_restarted.spec index 338af7f41..87211d84d 100644 --- a/test/mosaic/run_part_restarted.spec +++ b/test/mosaic/run_part_restarted.spec @@ -11,6 +11,7 @@ t_output 3600 # output interval (0 disables) (s) t_progress 3600 # progress printing interval (0 disables) (s) do_camp_chem no # whether to run the campible chemistry module +do_tchem no temp_profile temp.dat # temperature profile file pressure_profile pressure.dat # pressure profile file diff --git a/test/nucleate/run_part.spec b/test/nucleate/run_part.spec index 91a566801..dd1bc5ebf 100644 --- a/test/nucleate/run_part.spec +++ b/test/nucleate/run_part.spec @@ -11,6 +11,7 @@ t_output 60 # output interval (0 disables) (s) t_progress 600 # progress printing interval (0 disables) (s) do_camp_chem no # whether to run the campible chemistry module +do_tchem no gas_data gas_data.dat # file containing gas data gas_init gas_init.dat # initial gas mixing ratios diff --git a/test/parallel/run_part_parallel_dist.spec b/test/parallel/run_part_parallel_dist.spec index 29f4f3927..972c0120a 100644 --- a/test/parallel/run_part_parallel_dist.spec +++ b/test/parallel/run_part_parallel_dist.spec @@ -12,6 +12,7 @@ t_output 3600 # output interval (0 disables) (s) t_progress 3600 # progress printing interval (0 disables) (s) do_camp_chem no # whether to run the campible chemistry module +do_tchem no gas_data gas_data.dat # file containing gas data gas_init gas_init.dat # initial gas mixing ratios diff --git a/test/parallel/run_part_parallel_dist_single.spec b/test/parallel/run_part_parallel_dist_single.spec index 15fbe0ba7..1ceffc9c5 100644 --- a/test/parallel/run_part_parallel_dist_single.spec +++ b/test/parallel/run_part_parallel_dist_single.spec @@ -12,6 +12,7 @@ t_output 3600 # output interval (0 disables) (s) t_progress 3600 # progress printing interval (0 disables) (s) do_camp_chem no # whether to run the campible chemistry module +do_tchem no gas_data gas_data.dat # file containing gas data gas_init gas_init.dat # initial gas mixing ratios diff --git a/test/parallel/run_part_parallel_mix.spec b/test/parallel/run_part_parallel_mix.spec index 9d5d9da7f..e644d5b61 100644 --- a/test/parallel/run_part_parallel_mix.spec +++ b/test/parallel/run_part_parallel_mix.spec @@ -11,6 +11,7 @@ t_output 3600 # output interval (0 disables) (s) t_progress 3600 # progress printing interval (0 disables) (s) do_camp_chem no # whether to run the campible chemistry module +do_tchem no gas_data gas_data.dat # file containing gas data gas_init gas_init.dat # initial gas mixing ratios diff --git a/test/parallel/run_part_serial.spec b/test/parallel/run_part_serial.spec index 44aff6c1d..3f2e6cf22 100644 --- a/test/parallel/run_part_serial.spec +++ b/test/parallel/run_part_serial.spec @@ -11,6 +11,7 @@ t_output 3600 # output interval (0 disables) (s) t_progress 3600 # progress printing interval (0 disables) (s) do_camp_chem no # whether to run the campible chemistry module +do_tchem no gas_data gas_data.dat # file containing gas data gas_init gas_init.dat # initial gas mixing ratios diff --git a/test/sedi/run_part.spec b/test/sedi/run_part.spec index f280f2376..d8c03812d 100644 --- a/test/sedi/run_part.spec +++ b/test/sedi/run_part.spec @@ -11,6 +11,7 @@ t_output 300 # output interval (0 disables) (s) t_progress 60 # progress printing interval (0 disables) (s) do_camp_chem no # whether to run the campible chemistry module +do_tchem no gas_data gas_data.dat # file containing gas data gas_init gas_init.dat # initial gas mixing ratios diff --git a/test/weighting/run_part_flat.spec b/test/weighting/run_part_flat.spec index e3734b7e6..f357435d9 100644 --- a/test/weighting/run_part_flat.spec +++ b/test/weighting/run_part_flat.spec @@ -12,6 +12,7 @@ t_output 1200 # output interval (0 disables) (s) t_progress 3600 # progress printing interval (0 disables) (s) do_camp_chem no # whether to run the campible chemistry module +do_tchem no gas_data gas_data.dat # file containing gas data gas_init gas_init.dat # initial gas mixing ratios diff --git a/test/weighting/run_part_flat_source.spec b/test/weighting/run_part_flat_source.spec index 28209ad99..73bde8835 100644 --- a/test/weighting/run_part_flat_source.spec +++ b/test/weighting/run_part_flat_source.spec @@ -12,6 +12,7 @@ t_output 1200 # output interval (0 disables) (s) t_progress 3600 # progress printing interval (0 disables) (s) do_camp_chem no # whether to run the campible chemistry module +do_tchem no gas_data gas_data.dat # file containing gas data gas_init gas_init.dat # initial gas mixing ratios diff --git a/test/weighting/run_part_flat_specified.spec b/test/weighting/run_part_flat_specified.spec index 750d87ff9..5b73900b9 100644 --- a/test/weighting/run_part_flat_specified.spec +++ b/test/weighting/run_part_flat_specified.spec @@ -12,6 +12,7 @@ t_output 1200 # output interval (0 disables) (s) t_progress 3600 # progress printing interval (0 disables) (s) do_camp_chem no # whether to run the campible chemistry module +do_tchem no gas_data gas_data.dat # file containing gas data gas_init gas_init.dat # initial gas mixing ratios diff --git a/test/weighting/run_part_nummass.spec b/test/weighting/run_part_nummass.spec index ec4e62737..b0e12bee5 100644 --- a/test/weighting/run_part_nummass.spec +++ b/test/weighting/run_part_nummass.spec @@ -12,6 +12,7 @@ t_output 1200 # output interval (0 disables) (s) t_progress 3600 # progress printing interval (0 disables) (s) do_camp_chem no # whether to run the campible chemistry module +do_tchem no gas_data gas_data.dat # file containing gas data gas_init gas_init.dat # initial gas mixing ratios diff --git a/test/weighting/run_part_nummass_source.spec b/test/weighting/run_part_nummass_source.spec index 5c6f08358..9b280ed54 100644 --- a/test/weighting/run_part_nummass_source.spec +++ b/test/weighting/run_part_nummass_source.spec @@ -12,6 +12,7 @@ t_output 1200 # output interval (0 disables) (s) t_progress 3600 # progress printing interval (0 disables) (s) do_camp_chem no # whether to run the campible chemistry module +do_tchem no gas_data gas_data.dat # file containing gas data gas_init gas_init.dat # initial gas mixing ratios diff --git a/test/weighting/run_part_nummass_specified.spec b/test/weighting/run_part_nummass_specified.spec index ea57afdc0..63c9ff4ec 100644 --- a/test/weighting/run_part_nummass_specified.spec +++ b/test/weighting/run_part_nummass_specified.spec @@ -12,6 +12,7 @@ t_output 1200 # output interval (0 disables) (s) t_progress 3600 # progress printing interval (0 disables) (s) do_camp_chem no # whether to run the campible chemistry module +do_tchem no gas_data gas_data.dat # file containing gas data gas_init gas_init.dat # initial gas mixing ratios