From 75ddc38446bec23b6ec48c416963964b9981dbe6 Mon Sep 17 00:00:00 2001 From: "Alfred.Mayhew" Date: Mon, 2 Oct 2023 16:02:16 -0600 Subject: [PATCH 1/8] Added ability to specify custom fortran functions that can be called in the mechanism file. --- build/mech_converter.py | 10 ++++++++++ model/configuration/.gitignore | 1 + model/configuration/customRateFuncs.f90 | 14 ++++++++++++++ tools/install/Makefile.skel | 3 ++- 4 files changed, 27 insertions(+), 1 deletion(-) create mode 100644 model/configuration/customRateFuncs.f90 diff --git a/build/mech_converter.py b/build/mech_converter.py index 25aba5289..4f707d5f3 100644 --- a/build/mech_converter.py +++ b/build/mech_converter.py @@ -302,6 +302,15 @@ def convert_to_fortran(input_file, mech_dir, mcm_vers): continue # ------------------------------------------------- + # Read in the names of user-defined custom rate functions and add them + # to the list of reserved names so that they will be carried through the + # rate definitions (in a similar manner to LOG10) + with open(mech_dir + '/customRateFuncs.f90') as custom_func_file: + func_def_pat = "function +([a-zA-Z0-9_]*) *\(" + custom_func_names = re.findall(func_def_pat, custom_func_file.read(), re.I) + + for n in custom_func_names: + reservedOtherList.append(n) # Initialise list, dictionary and a counter. mechanism_rates_coeff_list = [] @@ -551,6 +560,7 @@ def convert_to_fortran(input_file, mech_dir, mcm_vers): subroutine update_p(p, q, TEMP, N2, O2, M, RH, H2O, BLHEIGHT, DEC, JFAC, DILUTE, ROOFOPEN, ASA, J, RO2) bind(c,name='update_p') + use custom_functions_mod integer, parameter :: DP = selected_real_kind( p = 15, r = 307 ) real(c_double), intent(inout) :: p(*), q(*) real(c_double), intent(in) :: TEMP, N2, O2, M, RH, H2O, BLHEIGHT, DEC, JFAC, DILUTE, ROOFOPEN, ASA, J(*), RO2 diff --git a/model/configuration/.gitignore b/model/configuration/.gitignore index 1830d04bb..604ca8a6a 100644 --- a/model/configuration/.gitignore +++ b/model/configuration/.gitignore @@ -1,2 +1,3 @@ # Ignore auto-generated mechanism files in this directory mechanism.* +customRateFuncs.o \ No newline at end of file diff --git a/model/configuration/customRateFuncs.f90 b/model/configuration/customRateFuncs.f90 new file mode 100644 index 000000000..6704277cd --- /dev/null +++ b/model/configuration/customRateFuncs.f90 @@ -0,0 +1,14 @@ +! ******************************************************************** ! +! ATCHEM2 -- MODULE customRateFunctions +! +! This module contains user-defined functions that can be referenced +! in the mechanism file +! ******************************************************************** ! +module custom_functions_mod + implicit none + +contains + + !Define your functions here. + +end module custom_functions_mod \ No newline at end of file diff --git a/tools/install/Makefile.skel b/tools/install/Makefile.skel index f3d46477a..b9da33f7a 100644 --- a/tools/install/Makefile.skel +++ b/tools/install/Makefile.skel @@ -119,8 +119,9 @@ include tests/makefile.tests all: $(AOUT) sharedlib: + $(FORT_COMP) -c $(SHAREDLIBDIR)/customRateFuncs.f90 $(FSHAREDFLAGS) -o $(SHAREDLIBDIR)/customRateFuncs.o -J$(OBJ) $(FORT_COMP) -c $(SHAREDLIBDIR)/mechanism.f90 $(FSHAREDFLAGS) -o $(SHAREDLIBDIR)/mechanism.o -J$(OBJ) - $(FORT_COMP) -shared -o $(SHAREDLIBDIR)/mechanism.so $(SHAREDLIBDIR)/mechanism.o + $(FORT_COMP) -shared -o $(SHAREDLIBDIR)/mechanism.so $(SHAREDLIBDIR)/mechanism.o $(SHAREDLIBDIR)/customRateFuncs.o clean: rm -f $(AOUT) From 752529998ab9b21fc5054541a9bd2bc949f8fd5b Mon Sep 17 00:00:00 2001 From: "Alfred.Mayhew" Date: Tue, 3 Oct 2023 09:49:31 -0600 Subject: [PATCH 2/8] Ignoring commas in rate expressions as they might be separating function arguments --- build/mech_converter.py | 7 ++++--- 1 file changed, 4 insertions(+), 3 deletions(-) diff --git a/build/mech_converter.py b/build/mech_converter.py index 4f707d5f3..cc0b01c64 100644 --- a/build/mech_converter.py +++ b/build/mech_converter.py @@ -71,9 +71,10 @@ def tokenise_and_process(input_string, vars_dict): assert isinstance(vars_dict, dict), \ 'tokenise_and_process: vars_dict is not of type dict: ' + str(vars_dict) - # Generate start and end points of sections of symbols and non-symbols. - symbol_regex = r'[()\-+*@/ ]+' - nonsymbol_regex = r'[^()\-+*@/ ]+' + # Generate start and end points of sections of symbols and nonsymbols + symbol_regex = '[()\-+*@/, ]+' + nonsymbol_regex = '[^()\-+*@/, ]+' + list_of_symbol_starts = [m.start(0) for m in re.finditer(symbol_regex, input_string)] list_of_symbol_ends = [m.end(0) for m in re.finditer(symbol_regex, input_string)] list_of_nonsymbol_starts = [m.start(0) for m in re.finditer(nonsymbol_regex, input_string)] From 17a3fb933e26d6f496c5decd0bbff3bdeb45fedd Mon Sep 17 00:00:00 2001 From: "Alfred.Mayhew" Date: Fri, 22 Dec 2023 17:11:16 -0700 Subject: [PATCH 3/8] Copied custom rate function skeleton file into test configuration directories --- .../env_model_1/configuration/customRateFuncs.f90 | 14 ++++++++++++++ .../env_model_2/configuration/customRateFuncs.f90 | 14 ++++++++++++++ .../env_model_3/configuration/customRateFuncs.f90 | 14 ++++++++++++++ .../env_model_4/configuration/customRateFuncs.f90 | 14 ++++++++++++++ .../firstorder/configuration/customRateFuncs.f90 | 14 ++++++++++++++ .../secondorder/configuration/customRateFuncs.f90 | 14 ++++++++++++++ .../spec_model_1/configuration/customRateFuncs.f90 | 14 ++++++++++++++ .../configuration/customRateFuncs.f90 | 14 ++++++++++++++ .../static/configuration/customRateFuncs.f90 | 14 ++++++++++++++ .../short/model/configuration/customRateFuncs.f90 | 14 ++++++++++++++ .../model/configuration/customRateFuncs.f90 | 14 ++++++++++++++ .../model/configuration/customRateFuncs.f90 | 14 ++++++++++++++ .../model/configuration/customRateFuncs.f90 | 14 ++++++++++++++ .../model/configuration/customRateFuncs.f90 | 14 ++++++++++++++ .../model/configuration/customRateFuncs.f90 | 14 ++++++++++++++ .../model/configuration/customRateFuncs.f90 | 14 ++++++++++++++ .../model/configuration/customRateFuncs.f90 | 14 ++++++++++++++ .../model/configuration/customRateFuncs.f90 | 14 ++++++++++++++ .../model/configuration/customRateFuncs.f90 | 14 ++++++++++++++ .../model/configuration/customRateFuncs.f90 | 14 ++++++++++++++ .../model/configuration/customRateFuncs.f90 | 14 ++++++++++++++ .../model/configuration/customRateFuncs.f90 | 14 ++++++++++++++ .../model/configuration/customRateFuncs.f90 | 14 ++++++++++++++ .../model/configuration/customRateFuncs.f90 | 14 ++++++++++++++ .../model/configuration/customRateFuncs.f90 | 14 ++++++++++++++ .../model/configuration/customRateFuncs.f90 | 14 ++++++++++++++ 26 files changed, 364 insertions(+) create mode 100644 tests/model_tests/env_model_1/configuration/customRateFuncs.f90 create mode 100644 tests/model_tests/env_model_2/configuration/customRateFuncs.f90 create mode 100644 tests/model_tests/env_model_3/configuration/customRateFuncs.f90 create mode 100644 tests/model_tests/env_model_4/configuration/customRateFuncs.f90 create mode 100644 tests/model_tests/firstorder/configuration/customRateFuncs.f90 create mode 100644 tests/model_tests/secondorder/configuration/customRateFuncs.f90 create mode 100644 tests/model_tests/spec_model_1/configuration/customRateFuncs.f90 create mode 100644 tests/model_tests/spec_model_kpp/configuration/customRateFuncs.f90 create mode 100644 tests/model_tests/static/configuration/customRateFuncs.f90 create mode 100644 tests/tests/short/model/configuration/customRateFuncs.f90 create mode 100644 tests/tests/short_dense/model/configuration/customRateFuncs.f90 create mode 100644 tests/tests/short_end_of_day/model/configuration/customRateFuncs.f90 create mode 100644 tests/tests/short_ext1/model/configuration/customRateFuncs.f90 create mode 100644 tests/tests/short_ext2/model/configuration/customRateFuncs.f90 create mode 100644 tests/tests/short_ext3/model/configuration/customRateFuncs.f90 create mode 100644 tests/tests/short_ext4/model/configuration/customRateFuncs.f90 create mode 100644 tests/tests/short_no_pre/model/configuration/customRateFuncs.f90 create mode 100644 tests/tests/spec_no_env_yes1/model/configuration/customRateFuncs.f90 create mode 100644 tests/tests/spec_no_env_yes2/model/configuration/customRateFuncs.f90 create mode 100644 tests/tests/spec_yes_env_no/model/configuration/customRateFuncs.f90 create mode 100644 tests/tests/spec_yes_env_no_with_jfac/model/configuration/customRateFuncs.f90 create mode 100644 tests/tests/spec_yes_env_no_with_jfac_fail1/model/configuration/customRateFuncs.f90 create mode 100644 tests/tests/spec_yes_env_no_with_jfac_fixed/model/configuration/customRateFuncs.f90 create mode 100644 tests/tests/spec_yes_env_no_with_photo/model/configuration/customRateFuncs.f90 create mode 100644 tests/tests/spec_yes_env_yes/model/configuration/customRateFuncs.f90 create mode 100644 tests/tests/spec_yes_plus_fixed_env_no/model/configuration/customRateFuncs.f90 diff --git a/tests/model_tests/env_model_1/configuration/customRateFuncs.f90 b/tests/model_tests/env_model_1/configuration/customRateFuncs.f90 new file mode 100644 index 000000000..6704277cd --- /dev/null +++ b/tests/model_tests/env_model_1/configuration/customRateFuncs.f90 @@ -0,0 +1,14 @@ +! ******************************************************************** ! +! ATCHEM2 -- MODULE customRateFunctions +! +! This module contains user-defined functions that can be referenced +! in the mechanism file +! ******************************************************************** ! +module custom_functions_mod + implicit none + +contains + + !Define your functions here. + +end module custom_functions_mod \ No newline at end of file diff --git a/tests/model_tests/env_model_2/configuration/customRateFuncs.f90 b/tests/model_tests/env_model_2/configuration/customRateFuncs.f90 new file mode 100644 index 000000000..6704277cd --- /dev/null +++ b/tests/model_tests/env_model_2/configuration/customRateFuncs.f90 @@ -0,0 +1,14 @@ +! ******************************************************************** ! +! ATCHEM2 -- MODULE customRateFunctions +! +! This module contains user-defined functions that can be referenced +! in the mechanism file +! ******************************************************************** ! +module custom_functions_mod + implicit none + +contains + + !Define your functions here. + +end module custom_functions_mod \ No newline at end of file diff --git a/tests/model_tests/env_model_3/configuration/customRateFuncs.f90 b/tests/model_tests/env_model_3/configuration/customRateFuncs.f90 new file mode 100644 index 000000000..6704277cd --- /dev/null +++ b/tests/model_tests/env_model_3/configuration/customRateFuncs.f90 @@ -0,0 +1,14 @@ +! ******************************************************************** ! +! ATCHEM2 -- MODULE customRateFunctions +! +! This module contains user-defined functions that can be referenced +! in the mechanism file +! ******************************************************************** ! +module custom_functions_mod + implicit none + +contains + + !Define your functions here. + +end module custom_functions_mod \ No newline at end of file diff --git a/tests/model_tests/env_model_4/configuration/customRateFuncs.f90 b/tests/model_tests/env_model_4/configuration/customRateFuncs.f90 new file mode 100644 index 000000000..6704277cd --- /dev/null +++ b/tests/model_tests/env_model_4/configuration/customRateFuncs.f90 @@ -0,0 +1,14 @@ +! ******************************************************************** ! +! ATCHEM2 -- MODULE customRateFunctions +! +! This module contains user-defined functions that can be referenced +! in the mechanism file +! ******************************************************************** ! +module custom_functions_mod + implicit none + +contains + + !Define your functions here. + +end module custom_functions_mod \ No newline at end of file diff --git a/tests/model_tests/firstorder/configuration/customRateFuncs.f90 b/tests/model_tests/firstorder/configuration/customRateFuncs.f90 new file mode 100644 index 000000000..6704277cd --- /dev/null +++ b/tests/model_tests/firstorder/configuration/customRateFuncs.f90 @@ -0,0 +1,14 @@ +! ******************************************************************** ! +! ATCHEM2 -- MODULE customRateFunctions +! +! This module contains user-defined functions that can be referenced +! in the mechanism file +! ******************************************************************** ! +module custom_functions_mod + implicit none + +contains + + !Define your functions here. + +end module custom_functions_mod \ No newline at end of file diff --git a/tests/model_tests/secondorder/configuration/customRateFuncs.f90 b/tests/model_tests/secondorder/configuration/customRateFuncs.f90 new file mode 100644 index 000000000..6704277cd --- /dev/null +++ b/tests/model_tests/secondorder/configuration/customRateFuncs.f90 @@ -0,0 +1,14 @@ +! ******************************************************************** ! +! ATCHEM2 -- MODULE customRateFunctions +! +! This module contains user-defined functions that can be referenced +! in the mechanism file +! ******************************************************************** ! +module custom_functions_mod + implicit none + +contains + + !Define your functions here. + +end module custom_functions_mod \ No newline at end of file diff --git a/tests/model_tests/spec_model_1/configuration/customRateFuncs.f90 b/tests/model_tests/spec_model_1/configuration/customRateFuncs.f90 new file mode 100644 index 000000000..6704277cd --- /dev/null +++ b/tests/model_tests/spec_model_1/configuration/customRateFuncs.f90 @@ -0,0 +1,14 @@ +! ******************************************************************** ! +! ATCHEM2 -- MODULE customRateFunctions +! +! This module contains user-defined functions that can be referenced +! in the mechanism file +! ******************************************************************** ! +module custom_functions_mod + implicit none + +contains + + !Define your functions here. + +end module custom_functions_mod \ No newline at end of file diff --git a/tests/model_tests/spec_model_kpp/configuration/customRateFuncs.f90 b/tests/model_tests/spec_model_kpp/configuration/customRateFuncs.f90 new file mode 100644 index 000000000..6704277cd --- /dev/null +++ b/tests/model_tests/spec_model_kpp/configuration/customRateFuncs.f90 @@ -0,0 +1,14 @@ +! ******************************************************************** ! +! ATCHEM2 -- MODULE customRateFunctions +! +! This module contains user-defined functions that can be referenced +! in the mechanism file +! ******************************************************************** ! +module custom_functions_mod + implicit none + +contains + + !Define your functions here. + +end module custom_functions_mod \ No newline at end of file diff --git a/tests/model_tests/static/configuration/customRateFuncs.f90 b/tests/model_tests/static/configuration/customRateFuncs.f90 new file mode 100644 index 000000000..6704277cd --- /dev/null +++ b/tests/model_tests/static/configuration/customRateFuncs.f90 @@ -0,0 +1,14 @@ +! ******************************************************************** ! +! ATCHEM2 -- MODULE customRateFunctions +! +! This module contains user-defined functions that can be referenced +! in the mechanism file +! ******************************************************************** ! +module custom_functions_mod + implicit none + +contains + + !Define your functions here. + +end module custom_functions_mod \ No newline at end of file diff --git a/tests/tests/short/model/configuration/customRateFuncs.f90 b/tests/tests/short/model/configuration/customRateFuncs.f90 new file mode 100644 index 000000000..6704277cd --- /dev/null +++ b/tests/tests/short/model/configuration/customRateFuncs.f90 @@ -0,0 +1,14 @@ +! ******************************************************************** ! +! ATCHEM2 -- MODULE customRateFunctions +! +! This module contains user-defined functions that can be referenced +! in the mechanism file +! ******************************************************************** ! +module custom_functions_mod + implicit none + +contains + + !Define your functions here. + +end module custom_functions_mod \ No newline at end of file diff --git a/tests/tests/short_dense/model/configuration/customRateFuncs.f90 b/tests/tests/short_dense/model/configuration/customRateFuncs.f90 new file mode 100644 index 000000000..6704277cd --- /dev/null +++ b/tests/tests/short_dense/model/configuration/customRateFuncs.f90 @@ -0,0 +1,14 @@ +! ******************************************************************** ! +! ATCHEM2 -- MODULE customRateFunctions +! +! This module contains user-defined functions that can be referenced +! in the mechanism file +! ******************************************************************** ! +module custom_functions_mod + implicit none + +contains + + !Define your functions here. + +end module custom_functions_mod \ No newline at end of file diff --git a/tests/tests/short_end_of_day/model/configuration/customRateFuncs.f90 b/tests/tests/short_end_of_day/model/configuration/customRateFuncs.f90 new file mode 100644 index 000000000..6704277cd --- /dev/null +++ b/tests/tests/short_end_of_day/model/configuration/customRateFuncs.f90 @@ -0,0 +1,14 @@ +! ******************************************************************** ! +! ATCHEM2 -- MODULE customRateFunctions +! +! This module contains user-defined functions that can be referenced +! in the mechanism file +! ******************************************************************** ! +module custom_functions_mod + implicit none + +contains + + !Define your functions here. + +end module custom_functions_mod \ No newline at end of file diff --git a/tests/tests/short_ext1/model/configuration/customRateFuncs.f90 b/tests/tests/short_ext1/model/configuration/customRateFuncs.f90 new file mode 100644 index 000000000..6704277cd --- /dev/null +++ b/tests/tests/short_ext1/model/configuration/customRateFuncs.f90 @@ -0,0 +1,14 @@ +! ******************************************************************** ! +! ATCHEM2 -- MODULE customRateFunctions +! +! This module contains user-defined functions that can be referenced +! in the mechanism file +! ******************************************************************** ! +module custom_functions_mod + implicit none + +contains + + !Define your functions here. + +end module custom_functions_mod \ No newline at end of file diff --git a/tests/tests/short_ext2/model/configuration/customRateFuncs.f90 b/tests/tests/short_ext2/model/configuration/customRateFuncs.f90 new file mode 100644 index 000000000..6704277cd --- /dev/null +++ b/tests/tests/short_ext2/model/configuration/customRateFuncs.f90 @@ -0,0 +1,14 @@ +! ******************************************************************** ! +! ATCHEM2 -- MODULE customRateFunctions +! +! This module contains user-defined functions that can be referenced +! in the mechanism file +! ******************************************************************** ! +module custom_functions_mod + implicit none + +contains + + !Define your functions here. + +end module custom_functions_mod \ No newline at end of file diff --git a/tests/tests/short_ext3/model/configuration/customRateFuncs.f90 b/tests/tests/short_ext3/model/configuration/customRateFuncs.f90 new file mode 100644 index 000000000..6704277cd --- /dev/null +++ b/tests/tests/short_ext3/model/configuration/customRateFuncs.f90 @@ -0,0 +1,14 @@ +! ******************************************************************** ! +! ATCHEM2 -- MODULE customRateFunctions +! +! This module contains user-defined functions that can be referenced +! in the mechanism file +! ******************************************************************** ! +module custom_functions_mod + implicit none + +contains + + !Define your functions here. + +end module custom_functions_mod \ No newline at end of file diff --git a/tests/tests/short_ext4/model/configuration/customRateFuncs.f90 b/tests/tests/short_ext4/model/configuration/customRateFuncs.f90 new file mode 100644 index 000000000..6704277cd --- /dev/null +++ b/tests/tests/short_ext4/model/configuration/customRateFuncs.f90 @@ -0,0 +1,14 @@ +! ******************************************************************** ! +! ATCHEM2 -- MODULE customRateFunctions +! +! This module contains user-defined functions that can be referenced +! in the mechanism file +! ******************************************************************** ! +module custom_functions_mod + implicit none + +contains + + !Define your functions here. + +end module custom_functions_mod \ No newline at end of file diff --git a/tests/tests/short_no_pre/model/configuration/customRateFuncs.f90 b/tests/tests/short_no_pre/model/configuration/customRateFuncs.f90 new file mode 100644 index 000000000..6704277cd --- /dev/null +++ b/tests/tests/short_no_pre/model/configuration/customRateFuncs.f90 @@ -0,0 +1,14 @@ +! ******************************************************************** ! +! ATCHEM2 -- MODULE customRateFunctions +! +! This module contains user-defined functions that can be referenced +! in the mechanism file +! ******************************************************************** ! +module custom_functions_mod + implicit none + +contains + + !Define your functions here. + +end module custom_functions_mod \ No newline at end of file diff --git a/tests/tests/spec_no_env_yes1/model/configuration/customRateFuncs.f90 b/tests/tests/spec_no_env_yes1/model/configuration/customRateFuncs.f90 new file mode 100644 index 000000000..6704277cd --- /dev/null +++ b/tests/tests/spec_no_env_yes1/model/configuration/customRateFuncs.f90 @@ -0,0 +1,14 @@ +! ******************************************************************** ! +! ATCHEM2 -- MODULE customRateFunctions +! +! This module contains user-defined functions that can be referenced +! in the mechanism file +! ******************************************************************** ! +module custom_functions_mod + implicit none + +contains + + !Define your functions here. + +end module custom_functions_mod \ No newline at end of file diff --git a/tests/tests/spec_no_env_yes2/model/configuration/customRateFuncs.f90 b/tests/tests/spec_no_env_yes2/model/configuration/customRateFuncs.f90 new file mode 100644 index 000000000..6704277cd --- /dev/null +++ b/tests/tests/spec_no_env_yes2/model/configuration/customRateFuncs.f90 @@ -0,0 +1,14 @@ +! ******************************************************************** ! +! ATCHEM2 -- MODULE customRateFunctions +! +! This module contains user-defined functions that can be referenced +! in the mechanism file +! ******************************************************************** ! +module custom_functions_mod + implicit none + +contains + + !Define your functions here. + +end module custom_functions_mod \ No newline at end of file diff --git a/tests/tests/spec_yes_env_no/model/configuration/customRateFuncs.f90 b/tests/tests/spec_yes_env_no/model/configuration/customRateFuncs.f90 new file mode 100644 index 000000000..6704277cd --- /dev/null +++ b/tests/tests/spec_yes_env_no/model/configuration/customRateFuncs.f90 @@ -0,0 +1,14 @@ +! ******************************************************************** ! +! ATCHEM2 -- MODULE customRateFunctions +! +! This module contains user-defined functions that can be referenced +! in the mechanism file +! ******************************************************************** ! +module custom_functions_mod + implicit none + +contains + + !Define your functions here. + +end module custom_functions_mod \ No newline at end of file diff --git a/tests/tests/spec_yes_env_no_with_jfac/model/configuration/customRateFuncs.f90 b/tests/tests/spec_yes_env_no_with_jfac/model/configuration/customRateFuncs.f90 new file mode 100644 index 000000000..6704277cd --- /dev/null +++ b/tests/tests/spec_yes_env_no_with_jfac/model/configuration/customRateFuncs.f90 @@ -0,0 +1,14 @@ +! ******************************************************************** ! +! ATCHEM2 -- MODULE customRateFunctions +! +! This module contains user-defined functions that can be referenced +! in the mechanism file +! ******************************************************************** ! +module custom_functions_mod + implicit none + +contains + + !Define your functions here. + +end module custom_functions_mod \ No newline at end of file diff --git a/tests/tests/spec_yes_env_no_with_jfac_fail1/model/configuration/customRateFuncs.f90 b/tests/tests/spec_yes_env_no_with_jfac_fail1/model/configuration/customRateFuncs.f90 new file mode 100644 index 000000000..6704277cd --- /dev/null +++ b/tests/tests/spec_yes_env_no_with_jfac_fail1/model/configuration/customRateFuncs.f90 @@ -0,0 +1,14 @@ +! ******************************************************************** ! +! ATCHEM2 -- MODULE customRateFunctions +! +! This module contains user-defined functions that can be referenced +! in the mechanism file +! ******************************************************************** ! +module custom_functions_mod + implicit none + +contains + + !Define your functions here. + +end module custom_functions_mod \ No newline at end of file diff --git a/tests/tests/spec_yes_env_no_with_jfac_fixed/model/configuration/customRateFuncs.f90 b/tests/tests/spec_yes_env_no_with_jfac_fixed/model/configuration/customRateFuncs.f90 new file mode 100644 index 000000000..6704277cd --- /dev/null +++ b/tests/tests/spec_yes_env_no_with_jfac_fixed/model/configuration/customRateFuncs.f90 @@ -0,0 +1,14 @@ +! ******************************************************************** ! +! ATCHEM2 -- MODULE customRateFunctions +! +! This module contains user-defined functions that can be referenced +! in the mechanism file +! ******************************************************************** ! +module custom_functions_mod + implicit none + +contains + + !Define your functions here. + +end module custom_functions_mod \ No newline at end of file diff --git a/tests/tests/spec_yes_env_no_with_photo/model/configuration/customRateFuncs.f90 b/tests/tests/spec_yes_env_no_with_photo/model/configuration/customRateFuncs.f90 new file mode 100644 index 000000000..6704277cd --- /dev/null +++ b/tests/tests/spec_yes_env_no_with_photo/model/configuration/customRateFuncs.f90 @@ -0,0 +1,14 @@ +! ******************************************************************** ! +! ATCHEM2 -- MODULE customRateFunctions +! +! This module contains user-defined functions that can be referenced +! in the mechanism file +! ******************************************************************** ! +module custom_functions_mod + implicit none + +contains + + !Define your functions here. + +end module custom_functions_mod \ No newline at end of file diff --git a/tests/tests/spec_yes_env_yes/model/configuration/customRateFuncs.f90 b/tests/tests/spec_yes_env_yes/model/configuration/customRateFuncs.f90 new file mode 100644 index 000000000..6704277cd --- /dev/null +++ b/tests/tests/spec_yes_env_yes/model/configuration/customRateFuncs.f90 @@ -0,0 +1,14 @@ +! ******************************************************************** ! +! ATCHEM2 -- MODULE customRateFunctions +! +! This module contains user-defined functions that can be referenced +! in the mechanism file +! ******************************************************************** ! +module custom_functions_mod + implicit none + +contains + + !Define your functions here. + +end module custom_functions_mod \ No newline at end of file diff --git a/tests/tests/spec_yes_plus_fixed_env_no/model/configuration/customRateFuncs.f90 b/tests/tests/spec_yes_plus_fixed_env_no/model/configuration/customRateFuncs.f90 new file mode 100644 index 000000000..6704277cd --- /dev/null +++ b/tests/tests/spec_yes_plus_fixed_env_no/model/configuration/customRateFuncs.f90 @@ -0,0 +1,14 @@ +! ******************************************************************** ! +! ATCHEM2 -- MODULE customRateFunctions +! +! This module contains user-defined functions that can be referenced +! in the mechanism file +! ******************************************************************** ! +module custom_functions_mod + implicit none + +contains + + !Define your functions here. + +end module custom_functions_mod \ No newline at end of file From d2af35977d5d31c82258927a65ea9b0cfa91de15 Mon Sep 17 00:00:00 2001 From: "Alfred.Mayhew" Date: Wed, 3 Jan 2024 15:26:47 -0700 Subject: [PATCH 4/8] Added a test for the custom functions file, replacing KMT15 --- tests/.gitignore | 1 + tests/model_tests/INFO.md | 4 +- .../configuration/customRateFuncs.f90 | 30 ++ .../configuration/environmentVariables.config | 10 + .../initialConcentrations.config | 5 + .../configuration/mechanism.prod.cmp | 257 +++++++++++ .../configuration/mechanism.reac.cmp | 232 ++++++++++ .../configuration/mechanism.ro2.cmp | 6 + .../configuration/mechanism.species.cmp | 49 +++ .../configuration/model.parameters | 13 + .../configuration/outputRates.config | 2 + .../configuration/outputSpecies.config | 12 + .../configuration/photolysisConstant.config | 0 .../photolysisConstrained.config | 0 .../configuration/solver.parameters | 9 + .../configuration/speciesConstant.config | 0 .../configuration/speciesConstrained.config | 0 .../output/environmentVariables.output.cmp | 31 ++ .../spec_model_func/output/errors.output.cmp | 2 + .../output/finalModelState.output.cmp | 49 +++ .../output/jacobian.output.cmp | 0 .../output/lossRates.output.cmp | 358 ++++++++++++++++ .../output/mainSolverParameters.output.cmp | 31 ++ .../output/photolysisRates.output.cmp | 31 ++ .../photolysisRatesParameters.output.cmp | 31 ++ .../output/productionRates.output.cmp | 400 ++++++++++++++++++ .../output/reactionRates/25200.cmp | 147 +++++++ .../output/reactionRates/27000.cmp | 147 +++++++ .../output/reactionRates/28800.cmp | 147 +++++++ .../output/reactionRates/30600.cmp | 147 +++++++ .../output/reactionRates/32400.cmp | 147 +++++++ .../output/reactionRates/34200.cmp | 147 +++++++ .../output/reactionRates/36000.cmp | 147 +++++++ .../output/reactionRates/37800.cmp | 147 +++++++ .../output/reactionRates/39600.cmp | 147 +++++++ .../output/reactionRates/41400.cmp | 147 +++++++ .../output/reactionRates/43200.cmp | 147 +++++++ .../output/reactionRates/45000.cmp | 147 +++++++ .../output/reactionRates/46800.cmp | 147 +++++++ .../output/reactionRates/48600.cmp | 147 +++++++ .../output/reactionRates/50400.cmp | 147 +++++++ .../output/speciesConcentrations.output.cmp | 32 ++ .../spec_model_func/spec_model_func.fac | 364 ++++++++++++++++ .../spec_model_func/spec_model_func.out.cmp | 211 +++++++++ 44 files changed, 4374 insertions(+), 1 deletion(-) create mode 100644 tests/model_tests/spec_model_func/configuration/customRateFuncs.f90 create mode 100644 tests/model_tests/spec_model_func/configuration/environmentVariables.config create mode 100644 tests/model_tests/spec_model_func/configuration/initialConcentrations.config create mode 100644 tests/model_tests/spec_model_func/configuration/mechanism.prod.cmp create mode 100644 tests/model_tests/spec_model_func/configuration/mechanism.reac.cmp create mode 100644 tests/model_tests/spec_model_func/configuration/mechanism.ro2.cmp create mode 100644 tests/model_tests/spec_model_func/configuration/mechanism.species.cmp create mode 100644 tests/model_tests/spec_model_func/configuration/model.parameters create mode 100644 tests/model_tests/spec_model_func/configuration/outputRates.config create mode 100644 tests/model_tests/spec_model_func/configuration/outputSpecies.config create mode 100644 tests/model_tests/spec_model_func/configuration/photolysisConstant.config create mode 100644 tests/model_tests/spec_model_func/configuration/photolysisConstrained.config create mode 100644 tests/model_tests/spec_model_func/configuration/solver.parameters create mode 100644 tests/model_tests/spec_model_func/configuration/speciesConstant.config create mode 100644 tests/model_tests/spec_model_func/configuration/speciesConstrained.config create mode 100644 tests/model_tests/spec_model_func/output/environmentVariables.output.cmp create mode 100644 tests/model_tests/spec_model_func/output/errors.output.cmp create mode 100644 tests/model_tests/spec_model_func/output/finalModelState.output.cmp create mode 100644 tests/model_tests/spec_model_func/output/jacobian.output.cmp create mode 100644 tests/model_tests/spec_model_func/output/lossRates.output.cmp create mode 100644 tests/model_tests/spec_model_func/output/mainSolverParameters.output.cmp create mode 100644 tests/model_tests/spec_model_func/output/photolysisRates.output.cmp create mode 100644 tests/model_tests/spec_model_func/output/photolysisRatesParameters.output.cmp create mode 100644 tests/model_tests/spec_model_func/output/productionRates.output.cmp create mode 100644 tests/model_tests/spec_model_func/output/reactionRates/25200.cmp create mode 100644 tests/model_tests/spec_model_func/output/reactionRates/27000.cmp create mode 100644 tests/model_tests/spec_model_func/output/reactionRates/28800.cmp create mode 100644 tests/model_tests/spec_model_func/output/reactionRates/30600.cmp create mode 100644 tests/model_tests/spec_model_func/output/reactionRates/32400.cmp create mode 100644 tests/model_tests/spec_model_func/output/reactionRates/34200.cmp create mode 100644 tests/model_tests/spec_model_func/output/reactionRates/36000.cmp create mode 100644 tests/model_tests/spec_model_func/output/reactionRates/37800.cmp create mode 100644 tests/model_tests/spec_model_func/output/reactionRates/39600.cmp create mode 100644 tests/model_tests/spec_model_func/output/reactionRates/41400.cmp create mode 100644 tests/model_tests/spec_model_func/output/reactionRates/43200.cmp create mode 100644 tests/model_tests/spec_model_func/output/reactionRates/45000.cmp create mode 100644 tests/model_tests/spec_model_func/output/reactionRates/46800.cmp create mode 100644 tests/model_tests/spec_model_func/output/reactionRates/48600.cmp create mode 100644 tests/model_tests/spec_model_func/output/reactionRates/50400.cmp create mode 100644 tests/model_tests/spec_model_func/output/speciesConcentrations.output.cmp create mode 100644 tests/model_tests/spec_model_func/spec_model_func.fac create mode 100644 tests/model_tests/spec_model_func/spec_model_func.out.cmp diff --git a/tests/.gitignore b/tests/.gitignore index f65dd5f91..a5f24512c 100644 --- a/tests/.gitignore +++ b/tests/.gitignore @@ -9,6 +9,7 @@ mechanism.reac mechanism.ro2 mechanism.species mechanism.so +customRateFuncs.o tests/*/output/reactionRates/* model_tests/*/output/reactionRates/* diff --git a/tests/model_tests/INFO.md b/tests/model_tests/INFO.md index 9fa2ccefa..dd8598ece 100644 --- a/tests/model_tests/INFO.md +++ b/tests/model_tests/INFO.md @@ -24,4 +24,6 @@ starting at 6:30 am on 9/11/2008. - `spec_model_kpp` is the same as the base case but the mechanism is in KPP format. -- `spec_model_stoich` is the same as the base case but the mechanism has been adjusted to include stoichometric coefficients (e.g. 'NO + NO = NO2 + NO2' becomes '2 NO = 2 NO2') \ No newline at end of file +- `spec_model_stoich` is the same as the base case but the mechanism has been adjusted to include stoichometric coefficients (e.g. 'NO + NO = NO2 + NO2' becomes '2 NO = 2 NO2') + +- `spec_model_func` is the same as the base case but the KMT15 rate definition has been moved to `customRateFuncs.f90` as opposed to being defined in the mechanism. \ No newline at end of file diff --git a/tests/model_tests/spec_model_func/configuration/customRateFuncs.f90 b/tests/model_tests/spec_model_func/configuration/customRateFuncs.f90 new file mode 100644 index 000000000..997d344b0 --- /dev/null +++ b/tests/model_tests/spec_model_func/configuration/customRateFuncs.f90 @@ -0,0 +1,30 @@ +! ******************************************************************** ! +! ATCHEM2 -- MODULE customRateFunctions +! +! This module contains user-defined functions that can be referenced +! in the mechanism file +! ******************************************************************** ! +module custom_functions_mod + implicit none + +contains + + ! ----------------------------------------------------------------- + ! Calculates the rate of KMT15 + pure function calcKMT15( t, m ) result ( KMT15 ) + real*8, intent(in) :: t, m + real :: K150, K15I, KR15, FC15, NC15, F15 + real :: KMT15 + + K150 = 8.6E-29 * m * (t / 300)**(-3.1) + K15I = 9.0E-12 * (t / 300)**(-0.85) + KR15 = K150 / K15I + FC15 = 0.48 + NC15 = 0.75 - 1.27 * (LOG10(FC15)) + F15 = 10**(LOG10(FC15) / (1 + (LOG10(KR15) / NC15)**2)) + KMT15 = (K150*K15I)*F15/(K150+K15I) + + return + end function calcKMT15 + +end module custom_functions_mod \ No newline at end of file diff --git a/tests/model_tests/spec_model_func/configuration/environmentVariables.config b/tests/model_tests/spec_model_func/configuration/environmentVariables.config new file mode 100644 index 000000000..f0e11ee48 --- /dev/null +++ b/tests/model_tests/spec_model_func/configuration/environmentVariables.config @@ -0,0 +1,10 @@ +1 TEMP 291.45 +2 PRESS 950.2 +3 RH 67.4 +4 H2O CALC +5 DEC CALC +6 BLHEIGHT NOTUSED +7 DILUTE NOTUSED +8 JFAC NOTUSED +9 ROOF OPEN +10 ASA NOTUSED diff --git a/tests/model_tests/spec_model_func/configuration/initialConcentrations.config b/tests/model_tests/spec_model_func/configuration/initialConcentrations.config new file mode 100644 index 000000000..81e939e0e --- /dev/null +++ b/tests/model_tests/spec_model_func/configuration/initialConcentrations.config @@ -0,0 +1,5 @@ +CO 4.8e+12 +O3 6.11e11 +NO 6.8e10 +NO2 8.37e10 +C2H4 2.76e+9 diff --git a/tests/model_tests/spec_model_func/configuration/mechanism.prod.cmp b/tests/model_tests/spec_model_func/configuration/mechanism.prod.cmp new file mode 100644 index 000000000..4fb9ec8f4 --- /dev/null +++ b/tests/model_tests/spec_model_func/configuration/mechanism.prod.cmp @@ -0,0 +1,257 @@ +49 146 140 numberOfSpecies numberOfReactions numberOfGenericComplex +1 2 +2 2 +4 4 +5 3 +6 5 +7 1 +8 1 +9 4 +10 5 +11 4 +11 4 +12 4 +12 4 +13 3 +13 4 +14 7 +15 8 +15 8 +16 9 +17 9 +18 9 +19 9 +20 8 +22 12 +23 12 +24 13 +25 14 +26 9 +26 4 +27 8 +27 4 +28 15 +29 4 +30 8 +30 4 +31 4 +32 5 +33 17 +34 18 +35 9 +35 17 +36 19 +37 19 +37 19 +38 20 +39 6 +40 1 +41 8 +41 8 +42 3 +42 1 +43 3 +44 4 +44 1 +45 8 +45 3 +46 8 +46 4 +47 4 +47 5 +48 9 +48 4 +49 22 +50 23 +50 24 +51 25 +52 26 +53 27 +53 4 +54 27 +54 4 +55 27 +56 28 +57 29 +58 11 +58 9 +58 9 +59 10 +59 11 +60 14 +60 11 +60 9 +61 9 +61 11 +62 30 +63 11 +64 9 +64 11 +64 8 +65 31 +66 28 +67 32 +67 4 +68 32 +68 4 +69 33 +70 32 +71 34 +72 22 +73 29 +73 8 +74 27 +74 8 +75 4 +75 23 +75 23 +76 29 +76 9 +77 34 +77 4 +78 35 +78 14 +79 35 +80 4 +80 36 +81 23 +82 23 +82 4 +83 23 +83 5 +84 23 +84 17 +85 23 +85 12 +86 37 +87 25 +88 34 +88 8 +89 32 +89 8 +90 9 +90 23 +90 23 +91 9 +91 34 +92 34 +92 9 +93 38 +93 14 +94 39 +94 9 +95 38 +96 9 +96 23 +96 9 +96 11 +97 23 +97 4 +97 8 +98 40 +98 2 +99 41 +100 23 +100 4 +100 4 +101 42 +102 23 +102 4 +102 4 +103 23 +103 4 +104 40 +105 23 +105 11 +105 9 +106 9 +107 9 +107 23 +107 8 +108 43 +108 2 +109 44 +110 4 +110 9 +110 23 +111 45 +112 4 +112 9 +112 23 +113 23 +113 9 +114 43 +115 11 +115 11 +115 10 +116 11 +116 11 +116 9 +116 9 +117 23 +117 11 +118 46 +118 14 +119 46 +120 23 +120 4 +121 35 +122 23 +122 4 +122 8 +123 23 +123 11 +123 4 +123 4 +124 35 +124 4 +125 23 +125 9 +126 38 +127 23 +127 9 +127 8 +128 23 +128 11 +128 4 +129 38 +129 4 +130 11 +130 11 +130 9 +131 11 +131 11 +131 9 +132 11 +132 8 +133 47 +134 48 +134 2 +135 49 +136 9 +136 11 +136 8 +137 9 +137 11 +137 4 +138 9 +138 11 +138 5 +139 9 +139 11 +139 4 +140 11 +140 9 +141 48 +142 9 +142 9 +142 11 +143 11 +143 9 +144 9 +144 11 +144 8 +145 9 +145 11 +145 8 +146 47 diff --git a/tests/model_tests/spec_model_func/configuration/mechanism.reac.cmp b/tests/model_tests/spec_model_func/configuration/mechanism.reac.cmp new file mode 100644 index 000000000..44fe674e6 --- /dev/null +++ b/tests/model_tests/spec_model_func/configuration/mechanism.reac.cmp @@ -0,0 +1,232 @@ +49 146 140 numberOfSpecies numberOfReactions numberOfGenericComplex +1 1 +2 1 +3 1 +3 2 +4 1 +4 3 +5 1 +5 4 +6 1 +6 4 +7 6 +8 6 +9 3 +9 2 +10 4 +10 2 +11 3 +11 3 +12 3 +12 5 +13 4 +13 5 +14 4 +14 5 +15 6 +16 8 +16 2 +17 8 +17 10 +18 8 +18 11 +19 8 +19 12 +20 9 +20 2 +21 8 +21 9 +22 9 +22 9 +23 9 +23 9 +24 8 +24 3 +25 8 +25 4 +26 8 +26 5 +27 9 +27 3 +28 9 +28 4 +29 8 +29 15 +30 9 +30 5 +31 8 +31 13 +32 8 +32 14 +33 1 +33 16 +34 8 +34 16 +35 18 +36 14 +37 7 +38 17 +39 2 +40 2 +41 12 +42 4 +43 5 +44 5 +45 13 +46 14 +47 7 +48 15 +49 21 +49 5 +50 21 +50 2 +51 21 +51 8 +52 22 +52 9 +53 22 +53 3 +54 22 +54 5 +55 22 +56 22 +57 22 +58 23 +59 23 +60 5 +60 23 +61 8 +61 23 +62 24 +63 24 +64 24 +65 25 +65 9 +66 25 +66 3 +67 25 +67 3 +68 25 +68 5 +69 25 +70 25 +71 25 +72 26 +72 8 +73 26 +73 8 +74 26 +75 27 +76 27 +77 28 +77 8 +78 29 +78 5 +79 29 +79 8 +80 29 +81 30 +81 11 +82 30 +82 3 +83 30 +83 4 +84 30 +84 16 +85 30 +86 30 +87 31 +87 8 +88 31 +88 8 +89 31 +90 32 +91 32 +92 33 +92 8 +93 34 +93 5 +94 34 +94 8 +95 34 +95 8 +96 34 +97 35 +97 9 +98 35 +98 9 +99 35 +99 9 +100 35 +100 3 +101 35 +101 4 +102 35 +102 5 +103 35 +104 35 +105 36 +106 37 +106 8 +107 38 +107 9 +108 38 +108 9 +109 38 +109 9 +110 38 +110 3 +111 38 +111 4 +112 38 +112 5 +113 38 +114 38 +115 39 +116 39 +117 39 +118 5 +118 39 +119 8 +119 39 +120 40 +120 8 +121 41 +121 8 +122 41 +123 42 +123 8 +124 42 +125 43 +125 8 +126 44 +126 8 +127 44 +128 45 +128 8 +129 45 +130 46 +131 46 +132 46 +133 46 +134 47 +134 9 +135 47 +135 9 +136 47 +136 9 +137 47 +137 3 +138 47 +138 4 +139 47 +139 5 +140 47 +141 47 +142 48 +143 8 +143 48 +144 49 +145 49 +146 8 +146 49 diff --git a/tests/model_tests/spec_model_func/configuration/mechanism.ro2.cmp b/tests/model_tests/spec_model_func/configuration/mechanism.ro2.cmp new file mode 100644 index 000000000..fcea44b81 --- /dev/null +++ b/tests/model_tests/spec_model_func/configuration/mechanism.ro2.cmp @@ -0,0 +1,6 @@ +! Note that this file is automatically generated by build/mech_converter.py -- Any manual edits to this file will be overwritten when calling build/mech_converter.py +22 !ETHENO3O2 +25 !HOCH2CH2O2 +35 !NO3CH2CO3 +38 !HOCH2CO3 +47 !HCOCO3 diff --git a/tests/model_tests/spec_model_func/configuration/mechanism.species.cmp b/tests/model_tests/spec_model_func/configuration/mechanism.species.cmp new file mode 100644 index 000000000..41001fba0 --- /dev/null +++ b/tests/model_tests/spec_model_func/configuration/mechanism.species.cmp @@ -0,0 +1,49 @@ +1 O +2 O3 +3 NO +4 NO2 +5 NO3 +6 O1D +7 N2O5 +8 OH +9 HO2 +10 H2 +11 CO +12 H2O2 +13 HONO +14 HNO3 +15 HO2NO2 +16 SO2 +17 SO3 +18 HSO3 +19 NA +20 SA +21 C2H4 +22 ETHENO3O2 +23 HCHO +24 CH2OOA +25 HOCH2CH2O2 +26 ETHO2HNO3 +27 ETHENO3O +28 ETHOHNO3 +29 NO3CH2CHO +30 CH2OO +31 HYETHO2H +32 HOCH2CH2O +33 ETHGLY +34 HOCH2CHO +35 NO3CH2CO3 +36 HCOCH2O +37 HCOOH +38 HOCH2CO3 +39 GLYOX +40 NO3CH2CO2H +41 NO3CH2CO3H +42 NO3CH2PAN +43 HOCH2CO2H +44 HOCH2CO3H +45 PHAN +46 HCOCO +47 HCOCO3 +48 HCOCO2H +49 HCOCO3H diff --git a/tests/model_tests/spec_model_func/configuration/model.parameters b/tests/model_tests/spec_model_func/configuration/model.parameters new file mode 100644 index 000000000..b8895756c --- /dev/null +++ b/tests/model_tests/spec_model_func/configuration/model.parameters @@ -0,0 +1,13 @@ +30 number of steps +900 step size (seconds) +2 species interpolation method (pw constant = 1, pw linear = 2) +2 conditions interpolation method (pw constant = 1, pw linear = 2) +3600 rates output step size - ROPA/RODA (seconds) +23400 model start time (seconds) +0 jacobian output step size (seconds) +-7.326 latitude (degrees: North is positive, South is negative) +-72.449 longitude (degrees: West is positive, East is negative) +09 day +11 month +2008 year +1800 reaction rates output step size (seconds) diff --git a/tests/model_tests/spec_model_func/configuration/outputRates.config b/tests/model_tests/spec_model_func/configuration/outputRates.config new file mode 100644 index 000000000..78da78737 --- /dev/null +++ b/tests/model_tests/spec_model_func/configuration/outputRates.config @@ -0,0 +1,2 @@ +OH +HO2 diff --git a/tests/model_tests/spec_model_func/configuration/outputSpecies.config b/tests/model_tests/spec_model_func/configuration/outputSpecies.config new file mode 100644 index 000000000..9affbbc32 --- /dev/null +++ b/tests/model_tests/spec_model_func/configuration/outputSpecies.config @@ -0,0 +1,12 @@ +CO +O3 +NO +NO2 +C2H4 +OH +HO2 +ETHENO3O2 +HOCH2CH2O2 +NO3CH2CO3 +HOCH2CO3 +HCOCO3 diff --git a/tests/model_tests/spec_model_func/configuration/photolysisConstant.config b/tests/model_tests/spec_model_func/configuration/photolysisConstant.config new file mode 100644 index 000000000..e69de29bb diff --git a/tests/model_tests/spec_model_func/configuration/photolysisConstrained.config b/tests/model_tests/spec_model_func/configuration/photolysisConstrained.config new file mode 100644 index 000000000..e69de29bb diff --git a/tests/model_tests/spec_model_func/configuration/solver.parameters b/tests/model_tests/spec_model_func/configuration/solver.parameters new file mode 100644 index 000000000..988f4341d --- /dev/null +++ b/tests/model_tests/spec_model_func/configuration/solver.parameters @@ -0,0 +1,9 @@ +1.0e-03 atol +1.0e-04 rtol +1.0e-04 delta main +100 lookback +100 maximum solver step size (seconds) +100000 maximum number of steps in solver +2 solver type (1 = spgmr, 2 = spgmr + banded preconditioner, 3 = dense) +750 banded preconditioner upper bandwidth +750 banded preconditioner lower bandwidth diff --git a/tests/model_tests/spec_model_func/configuration/speciesConstant.config b/tests/model_tests/spec_model_func/configuration/speciesConstant.config new file mode 100644 index 000000000..e69de29bb diff --git a/tests/model_tests/spec_model_func/configuration/speciesConstrained.config b/tests/model_tests/spec_model_func/configuration/speciesConstrained.config new file mode 100644 index 000000000..e69de29bb diff --git a/tests/model_tests/spec_model_func/output/environmentVariables.output.cmp b/tests/model_tests/spec_model_func/output/environmentVariables.output.cmp new file mode 100644 index 000000000..40e8f7972 --- /dev/null +++ b/tests/model_tests/spec_model_func/output/environmentVariables.output.cmp @@ -0,0 +1,31 @@ + t M TEMP PRESS RH H2O DEC BLHEIGHT DILUTE JFAC ROOF ASA RO2 + 2.430000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 1.361190E+005 + 2.520000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 1.576339E+005 + 2.610000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 1.667814E+005 + 2.700000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 1.702597E+005 + 2.790000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 1.706124E+005 + 2.880000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 1.687862E+005 + 2.970000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 1.651398E+005 + 3.060000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 1.598315E+005 + 3.150000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 1.529670E+005 + 3.240000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 1.446559E+005 + 3.330000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 1.350340E+005 + 3.420000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 1.242717E+005 + 3.510000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 1.125772E+005 + 3.600000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 1.001954E+005 + 3.690000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 8.740487E+004 + 3.780000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 7.451247E+004 + 3.870000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 6.184493E+004 + 3.960000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 4.973854E+004 + 4.050000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 3.852646E+004 + 4.140000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 2.852398E+004 + 4.230000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 2.001123E+004 + 4.320000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 1.321170E+004 + 4.410000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 8.261247E+003 + 4.500000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 5.153759E+003 + 4.590000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 3.752608E+003 + 4.680000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 1.445055E+004 + 4.770000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 5.287084E+004 + 4.860000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 8.789867E+004 + 4.950000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 1.081388E+005 + 5.040000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 1.172364E+005 diff --git a/tests/model_tests/spec_model_func/output/errors.output.cmp b/tests/model_tests/spec_model_func/output/errors.output.cmp new file mode 100644 index 000000000..5dfb20c54 --- /dev/null +++ b/tests/model_tests/spec_model_func/output/errors.output.cmp @@ -0,0 +1,2 @@ +Number of fixed constrained species: 0 +Total number of constrained species: 0 diff --git a/tests/model_tests/spec_model_func/output/finalModelState.output.cmp b/tests/model_tests/spec_model_func/output/finalModelState.output.cmp new file mode 100644 index 000000000..37cc3991a --- /dev/null +++ b/tests/model_tests/spec_model_func/output/finalModelState.output.cmp @@ -0,0 +1,49 @@ + O 4.3170159055868079E-023 + O3 586981542386.26208 + NO 1251605.7215907904 + NO2 91074099569.652161 + NO3 535797109.14958078 + O1D 3.4321242003573723E-107 + N2O5 3054963539.8578095 + OH 612.60920622314143 + HO2 336941.83033787285 + H2 450871027.17211193 + CO 4728287597903.9590 + H2O2 13183359.679792214 + HONO 101404582.80757290 + HNO3 41867636814.367096 + HO2NO2 873178.14939411776 + SO2 0.0000000000000000 + SO3 0.0000000000000000 + HSO3 0.0000000000000000 + NA 11992023691.707747 + SA 0.0000000000000000 + C2H4 1568810599.2413909 + ETHENO3O2 109114.26826669151 + HCHO 745699463.60759270 + CH2OOA 1.1987690855048900E-003 + HOCH2CH2O2 5838.6407324792244 + ETHO2HNO3 732.13013069994827 + ETHENO3O 2.6520030119240568E-003 + ETHOHNO3 5572918.4273876138 + NO3CH2CHO 229732.73526672955 + CH2OO 77.449109121708432 + HYETHO2H 149530.15201618132 + HOCH2CH2O 4.6070357425682114E-005 + ETHGLY 67.044824572532718 + HOCH2CHO 195453655.18968797 + NO3CH2CO3 0.41926019163640654 + HCOCH2O 2.9681068039985024E-095 + HCOOH 9331869.7673617825 + HOCH2CO3 2281.9480515408218 + GLYOX 7174284.7462236332 + NO3CH2CO2H 4.3122751359996221E-003 + NO3CH2CO3H 1.0062506342556307E-002 + NO3CH2PAN 364.43338474277897 + HOCH2CO2H 1082.6952078075763 + HOCH2CO3H 2590.2260616877234 + PHAN 11073143.324588947 + HCOCO 7.9480350436558432E-008 + HCOCO3 1.1322657704956625 + HCOCO2H 1.1247958034088290 + HCOCO3H 6.1703246183914429 diff --git a/tests/model_tests/spec_model_func/output/jacobian.output.cmp b/tests/model_tests/spec_model_func/output/jacobian.output.cmp new file mode 100644 index 000000000..e69de29bb diff --git a/tests/model_tests/spec_model_func/output/lossRates.output.cmp b/tests/model_tests/spec_model_func/output/lossRates.output.cmp new file mode 100644 index 000000000..e40188070 --- /dev/null +++ b/tests/model_tests/spec_model_func/output/lossRates.output.cmp @@ -0,0 +1,358 @@ + time speciesNumber speciesName reactionNumber rate reaction + 2.700000E+004 8 OH 16 2.215678E+005 OH+O3=HO2 + 2.700000E+004 8 OH 17 1.111119E+000 OH+H2=HO2 + 2.700000E+004 8 OH 18 5.682220E+006 OH+CO=HO2 + 2.700000E+004 8 OH 19 2.363295E+001 OH+H2O2=HO2 + 2.700000E+004 8 OH 21 6.369222E+003 OH+HO2= + 2.700000E+004 8 OH 24 3.388006E+006 OH+NO=HONO + 2.700000E+004 8 OH 25 3.873670E+006 OH+NO2=HNO3 + 2.700000E+004 8 OH 26 7.422233E+001 OH+NO3=HO2+NO2 + 2.700000E+004 8 OH 29 3.954937E+002 OH+HO2NO2=NO2 + 2.700000E+004 8 OH 31 5.479423E+004 OH+HONO=NO2 + 2.700000E+004 8 OH 32 1.097701E+004 OH+HNO3=NO3 + 2.700000E+004 8 OH 34 0.000000E+000 OH+SO2=HSO3 + 2.700000E+004 8 OH 51 1.016890E+005 C2H4+OH=HOCH2CH2O2 + 2.700000E+004 8 OH 61 1.871710E+004 OH+HCHO=HO2+CO + 2.700000E+004 8 OH 72 2.685708E-006 ETHO2HNO3+OH=ETHENO3O2 + 2.700000E+004 8 OH 73 1.193158E-006 ETHO2HNO3+OH=NO3CH2CHO+OH + 2.700000E+004 8 OH 77 7.532236E+000 ETHOHNO3+OH=HOCH2CHO+NO2 + 2.700000E+004 8 OH 79 1.311110E-002 NO3CH2CHO+OH=NO3CH2CO3 + 2.700000E+004 8 OH 87 1.073046E+000 HYETHO2H+OH=HOCH2CH2O2 + 2.700000E+004 8 OH 88 4.060893E+000 HYETHO2H+OH=HOCH2CHO+OH + 2.700000E+004 8 OH 92 2.093661E-003 ETHGLY+OH=HOCH2CHO+HO2 + 2.700000E+004 8 OH 94 8.973135E+002 HOCH2CHO+OH=GLYOX+HO2 + 2.700000E+004 8 OH 95 3.589254E+003 HOCH2CHO+OH=HOCH2CO3 + 2.700000E+004 8 OH 106 4.150924E+000 HCOOH+OH=HO2 + 2.700000E+004 8 OH 119 6.761154E+001 OH+GLYOX=HCOCO + 2.700000E+004 8 OH 120 2.513758E-010 NO3CH2CO2H+OH=HCHO+NO2 + 2.700000E+004 8 OH 121 1.415888E-008 NO3CH2CO3H+OH=NO3CH2CO3 + 2.700000E+004 8 OH 123 4.351785E-007 NO3CH2PAN+OH=HCHO+CO+NO2+NO2 + 2.700000E+004 8 OH 125 9.829209E-004 HOCH2CO2H+OH=HCHO+HO2 + 2.700000E+004 8 OH 126 5.821210E-003 HOCH2CO3H+OH=HOCH2CO3 + 2.700000E+004 8 OH 128 1.055317E+001 PHAN+OH=HCHO+CO+NO2 + 2.700000E+004 8 OH 143 4.949327E-006 OH+HCOCO2H=CO+HO2 + 2.700000E+004 8 OH 146 1.803807E-005 OH+HCOCO3H=HCOCO3 + 2.700000E+004 9 HO2 20 1.268479E+004 HO2+O3=OH + 2.700000E+004 9 HO2 21 6.369222E+003 OH+HO2= + 2.700000E+004 9 HO2 22 7.632039E+002 HO2+HO2=H2O2 + 2.700000E+004 9 HO2 23 5.733021E+002 HO2+HO2=H2O2 + 2.700000E+004 9 HO2 27 6.034940E+006 HO2+NO=OH+NO2 + 2.700000E+004 9 HO2 28 5.856478E+005 HO2+NO2=HO2NO2 + 2.700000E+004 9 HO2 30 2.994469E+001 HO2+NO3=OH+NO2 + 2.700000E+004 9 HO2 52 4.911132E-005 ETHENO3O2+HO2=ETHO2HNO3 + 2.700000E+004 9 HO2 65 2.375527E+001 HOCH2CH2O2+HO2=HYETHO2H + 2.700000E+004 9 HO2 97 5.037550E-007 NO3CH2CO3+HO2=HCHO+NO2+OH + 2.700000E+004 9 HO2 98 1.717347E-007 NO3CH2CO3+HO2=NO3CH2CO2H+O3 + 2.700000E+004 9 HO2 99 4.694080E-007 NO3CH2CO3+HO2=NO3CH2CO3H + 2.700000E+004 9 HO2 107 1.366702E-001 HOCH2CO3+HO2=HO2+HCHO+OH + 2.700000E+004 9 HO2 108 4.659212E-002 HOCH2CO3+HO2=HOCH2CO2H+O3 + 2.700000E+004 9 HO2 109 1.273518E-001 HOCH2CO3+HO2=HOCH2CO3H + 2.700000E+004 9 HO2 134 8.327975E-005 HCOCO3+HO2=HCOCO2H+O3 + 2.700000E+004 9 HO2 135 2.276313E-004 HCOCO3+HO2=HCOCO3H + 2.700000E+004 9 HO2 136 2.442872E-004 HCOCO3+HO2=HO2+CO+OH + 3.060000E+004 8 OH 16 2.125165E+005 OH+O3=HO2 + 3.060000E+004 8 OH 17 3.803105E+000 OH+H2=HO2 + 3.060000E+004 8 OH 18 5.371256E+006 OH+CO=HO2 + 3.060000E+004 8 OH 19 5.041078E+001 OH+H2O2=HO2 + 3.060000E+004 8 OH 21 6.511413E+003 OH+HO2= + 3.060000E+004 8 OH 24 2.833492E+006 OH+NO=HONO + 3.060000E+004 8 OH 25 3.407257E+006 OH+NO2=HNO3 + 3.060000E+004 8 OH 26 7.473717E+001 OH+NO3=HO2+NO2 + 3.060000E+004 8 OH 29 3.753668E+002 OH+HO2NO2=NO2 + 3.060000E+004 8 OH 31 4.687782E+004 OH+HONO=NO2 + 3.060000E+004 8 OH 32 2.103379E+004 OH+HNO3=NO3 + 3.060000E+004 8 OH 34 0.000000E+000 OH+SO2=HSO3 + 3.060000E+004 8 OH 51 8.279084E+004 C2H4+OH=HOCH2CH2O2 + 3.060000E+004 8 OH 61 2.909829E+004 OH+HCHO=HO2+CO + 3.060000E+004 8 OH 72 5.521091E-006 ETHO2HNO3+OH=ETHENO3O2 + 3.060000E+004 8 OH 73 2.452812E-006 ETHO2HNO3+OH=NO3CH2CHO+OH + 3.060000E+004 8 OH 77 1.406375E+001 ETHOHNO3+OH=HOCH2CHO+NO2 + 3.060000E+004 8 OH 79 1.868051E-002 NO3CH2CHO+OH=NO3CH2CO3 + 3.060000E+004 8 OH 87 2.079816E+000 HYETHO2H+OH=HOCH2CH2O2 + 3.060000E+004 8 OH 88 7.870969E+000 HYETHO2H+OH=HOCH2CHO+OH + 3.060000E+004 8 OH 92 3.859513E-003 ETHGLY+OH=HOCH2CHO+HO2 + 3.060000E+004 8 OH 94 1.487621E+003 HOCH2CHO+OH=GLYOX+HO2 + 3.060000E+004 8 OH 95 5.950482E+003 HOCH2CHO+OH=HOCH2CO3 + 3.060000E+004 8 OH 106 7.295505E+000 HCOOH+OH=HO2 + 3.060000E+004 8 OH 119 2.180447E+002 OH+GLYOX=HCOCO + 3.060000E+004 8 OH 120 1.023630E-009 NO3CH2CO2H+OH=HCHO+NO2 + 3.060000E+004 8 OH 121 5.613722E-008 NO3CH2CO3H+OH=NO3CH2CO3 + 3.060000E+004 8 OH 123 1.258656E-006 NO3CH2PAN+OH=HCHO+CO+NO2+NO2 + 3.060000E+004 8 OH 125 4.619565E-003 HOCH2CO2H+OH=HCHO+HO2 + 3.060000E+004 8 OH 126 2.670284E-002 HOCH2CO3H+OH=HOCH2CO3 + 3.060000E+004 8 OH 128 3.598297E+001 PHAN+OH=HCHO+CO+NO2 + 3.060000E+004 8 OH 143 3.788601E-005 OH+HCOCO2H=CO+HO2 + 3.060000E+004 8 OH 146 1.471588E-004 OH+HCOCO3H=HCOCO3 + 3.060000E+004 9 HO2 20 1.380405E+004 HO2+O3=OH + 3.060000E+004 9 HO2 21 6.511413E+003 OH+HO2= + 3.060000E+004 9 HO2 22 8.852521E+002 HO2+HO2=H2O2 + 3.060000E+004 9 HO2 23 6.649821E+002 HO2+HO2=H2O2 + 3.060000E+004 9 HO2 27 5.726488E+006 HO2+NO=OH+NO2 + 3.060000E+004 9 HO2 28 5.844620E+005 HO2+NO2=HO2NO2 + 3.060000E+004 9 HO2 30 3.421050E+001 HO2+NO3=OH+NO2 + 3.060000E+004 9 HO2 52 5.461552E-005 ETHENO3O2+HO2=ETHO2HNO3 + 3.060000E+004 9 HO2 65 2.364376E+001 HOCH2CH2O2+HO2=HYETHO2H + 3.060000E+004 9 HO2 97 9.395930E-007 NO3CH2CO3+HO2=HCHO+NO2+OH + 3.060000E+004 9 HO2 98 3.203158E-007 NO3CH2CO3+HO2=NO3CH2CO2H+O3 + 3.060000E+004 9 HO2 99 8.755298E-007 NO3CH2CO3+HO2=NO3CH2CO3H + 3.060000E+004 9 HO2 107 2.946403E-001 HOCH2CO3+HO2=HO2+HCHO+OH + 3.060000E+004 9 HO2 108 1.004456E-001 HOCH2CO3+HO2=HOCH2CO2H+O3 + 3.060000E+004 9 HO2 109 2.745512E-001 HOCH2CO3+HO2=HOCH2CO3H + 3.060000E+004 9 HO2 134 3.231465E-004 HCOCO3+HO2=HCOCO2H+O3 + 3.060000E+004 9 HO2 135 8.832669E-004 HCOCO3+HO2=HCOCO3H + 3.060000E+004 9 HO2 136 9.478962E-004 HCOCO3+HO2=HO2+CO+OH + 3.420000E+004 8 OH 16 1.633187E+005 OH+O3=HO2 + 3.420000E+004 8 OH 17 5.422633E+000 OH+H2=HO2 + 3.420000E+004 8 OH 18 4.080574E+006 OH+CO=HO2 + 3.420000E+004 8 OH 19 5.734272E+001 OH+H2O2=HO2 + 3.420000E+004 8 OH 21 4.333452E+003 OH+HO2= + 3.420000E+004 8 OH 24 1.882975E+006 OH+NO=HONO + 3.420000E+004 8 OH 25 2.487070E+006 OH+NO2=HNO3 + 3.420000E+004 8 OH 26 6.256677E+001 OH+NO3=HO2+NO2 + 3.420000E+004 8 OH 29 2.397265E+002 OH+HO2NO2=NO2 + 3.420000E+004 8 OH 31 2.702917E+004 OH+HONO=NO2 + 3.420000E+004 8 OH 32 2.231291E+004 OH+HNO3=NO3 + 3.420000E+004 8 OH 34 0.000000E+000 OH+SO2=HSO3 + 3.420000E+004 8 OH 51 5.532092E+004 C2H4+OH=HOCH2CH2O2 + 3.420000E+004 8 OH 61 2.558343E+004 OH+HCHO=HO2+CO + 3.420000E+004 8 OH 72 6.395023E-006 ETHO2HNO3+OH=ETHENO3O2 + 3.420000E+004 8 OH 73 2.841066E-006 ETHO2HNO3+OH=NO3CH2CHO+OH + 3.420000E+004 8 OH 77 1.455981E+001 ETHOHNO3+OH=HOCH2CHO+NO2 + 3.420000E+004 8 OH 79 1.753639E-002 NO3CH2CHO+OH=NO3CH2CO3 + 3.420000E+004 8 OH 87 2.049504E+000 HYETHO2H+OH=HOCH2CH2O2 + 3.420000E+004 8 OH 88 7.756254E+000 HYETHO2H+OH=HOCH2CHO+OH + 3.420000E+004 8 OH 92 3.652461E-003 ETHGLY+OH=HOCH2CHO+HO2 + 3.420000E+004 8 OH 94 1.387170E+003 HOCH2CHO+OH=GLYOX+HO2 + 3.420000E+004 8 OH 95 5.548681E+003 HOCH2CHO+OH=HOCH2CO3 + 3.420000E+004 8 OH 106 7.779484E+000 HCOOH+OH=HO2 + 3.420000E+004 8 OH 119 2.685248E+002 OH+GLYOX=HCOCO + 3.420000E+004 8 OH 120 1.567711E-009 NO3CH2CO2H+OH=HCHO+NO2 + 3.420000E+004 8 OH 121 8.390670E-008 NO3CH2CO3H+OH=NO3CH2CO3 + 3.420000E+004 8 OH 123 1.539667E-006 NO3CH2PAN+OH=HCHO+CO+NO2+NO2 + 3.420000E+004 8 OH 125 7.350617E-003 HOCH2CO2H+OH=HCHO+HO2 + 3.420000E+004 8 OH 126 4.152004E-002 HOCH2CO3H+OH=HOCH2CO3 + 3.420000E+004 8 OH 128 4.649251E+001 PHAN+OH=HCHO+CO+NO2 + 3.420000E+004 8 OH 143 6.539885E-005 OH+HCOCO2H=CO+HO2 + 3.420000E+004 8 OH 146 2.761873E-004 OH+HCOCO3H=HCOCO3 + 3.420000E+004 9 HO2 20 1.214561E+004 HO2+O3=OH + 3.420000E+004 9 HO2 21 4.333452E+003 OH+HO2= + 3.420000E+004 9 HO2 22 6.745203E+002 HO2+HO2=H2O2 + 3.420000E+004 9 HO2 23 5.066849E+002 HO2+HO2=H2O2 + 3.420000E+004 9 HO2 27 4.356926E+006 HO2+NO=OH+NO2 + 3.420000E+004 9 HO2 28 4.884371E+005 HO2+NO2=HO2NO2 + 3.420000E+004 9 HO2 30 3.278958E+001 HO2+NO3=OH+NO2 + 3.420000E+004 9 HO2 52 5.263457E-005 ETHENO3O2+HO2=ETHO2HNO3 + 3.420000E+004 9 HO2 65 1.582247E+001 HOCH2CH2O2+HO2=HYETHO2H + 3.420000E+004 9 HO2 97 9.459267E-007 NO3CH2CO3+HO2=HCHO+NO2+OH + 3.420000E+004 9 HO2 98 3.224750E-007 NO3CH2CO3+HO2=NO3CH2CO2H+O3 + 3.420000E+004 9 HO2 99 8.814317E-007 NO3CH2CO3+HO2=NO3CH2CO3H + 3.420000E+004 9 HO2 107 2.960771E-001 HOCH2CO3+HO2=HO2+HCHO+OH + 3.420000E+004 9 HO2 108 1.009354E-001 HOCH2CO3+HO2=HOCH2CO2H+O3 + 3.420000E+004 9 HO2 109 2.758900E-001 HOCH2CO3+HO2=HOCH2CO3H + 3.420000E+004 9 HO2 134 3.846465E-004 HCOCO3+HO2=HCOCO2H+O3 + 3.420000E+004 9 HO2 135 1.051367E-003 HCOCO3+HO2=HCOCO3H + 3.420000E+004 9 HO2 136 1.128296E-003 HCOCO3+HO2=HO2+CO+OH + 3.780000E+004 8 OH 16 9.026490E+004 OH+O3=HO2 + 3.780000E+004 8 OH 17 4.234773E+000 OH+H2=HO2 + 3.780000E+004 8 OH 18 2.246608E+006 OH+CO=HO2 + 3.780000E+004 8 OH 19 3.818066E+001 OH+H2O2=HO2 + 3.780000E+004 8 OH 21 1.543261E+003 OH+HO2= + 3.780000E+004 8 OH 24 8.897593E+005 OH+NO=HONO + 3.780000E+004 8 OH 25 1.388797E+006 OH+NO2=HNO3 + 3.780000E+004 8 OH 26 4.027012E+001 OH+NO3=HO2+NO2 + 3.780000E+004 8 OH 29 8.668263E+001 OH+HO2NO2=NO2 + 3.780000E+004 8 OH 31 9.107035E+003 OH+HONO=NO2 + 3.780000E+004 8 OH 32 1.442048E+004 OH+HNO3=NO3 + 3.780000E+004 8 OH 34 0.000000E+000 OH+SO2=HSO3 + 3.780000E+004 8 OH 51 2.793823E+004 C2H4+OH=HOCH2CH2O2 + 3.780000E+004 8 OH 61 1.426505E+004 OH+HCHO=HO2+CO + 3.780000E+004 8 OH 72 4.576534E-006 ETHO2HNO3+OH=ETHENO3O2 + 3.780000E+004 8 OH 73 2.033180E-006 ETHO2HNO3+OH=NO3CH2CHO+OH + 3.780000E+004 8 OH 77 9.274143E+000 ETHOHNO3+OH=HOCH2CHO+NO2 + 3.780000E+004 8 OH 79 1.198280E-002 NO3CH2CHO+OH=NO3CH2CO3 + 3.780000E+004 8 OH 87 1.192608E+000 HYETHO2H+OH=HOCH2CH2O2 + 3.780000E+004 8 OH 88 4.513372E+000 HYETHO2H+OH=HOCH2CHO+OH + 3.780000E+004 8 OH 92 2.091059E-003 ETHGLY+OH=HOCH2CHO+HO2 + 3.780000E+004 8 OH 94 8.191962E+002 HOCH2CHO+OH=GLYOX+HO2 + 3.780000E+004 8 OH 95 3.276785E+003 HOCH2CHO+OH=HOCH2CO3 + 3.780000E+004 8 OH 106 5.393641E+000 HCOOH+OH=HO2 + 3.780000E+004 8 OH 119 1.719638E+002 OH+GLYOX=HCOCO + 3.780000E+004 8 OH 120 1.200507E-009 NO3CH2CO2H+OH=HCHO+NO2 + 3.780000E+004 8 OH 121 6.299689E-008 NO3CH2CO3H+OH=NO3CH2CO3 + 3.780000E+004 8 OH 123 1.025220E-006 NO3CH2PAN+OH=HCHO+CO+NO2+NO2 + 3.780000E+004 8 OH 125 5.562444E-003 HOCH2CO2H+OH=HCHO+HO2 + 3.780000E+004 8 OH 126 3.078562E-002 HOCH2CO3H+OH=HOCH2CO3 + 3.780000E+004 8 OH 128 3.049391E+001 PHAN+OH=HCHO+CO+NO2 + 3.780000E+004 8 OH 143 4.257738E-005 OH+HCOCO2H=CO+HO2 + 3.780000E+004 8 OH 146 2.057370E-004 OH+HCOCO3H=HCOCO3 + 3.780000E+004 9 HO2 20 7.849545E+003 HO2+O3=OH + 3.780000E+004 9 HO2 21 1.543261E+003 OH+HO2= + 3.780000E+004 9 HO2 22 2.808942E+002 HO2+HO2=H2O2 + 3.780000E+004 9 HO2 23 2.110016E+002 HO2+HO2=H2O2 + 3.780000E+004 9 HO2 27 2.407412E+006 HO2+NO=OH+NO2 + 3.780000E+004 9 HO2 28 3.189346E+005 HO2+NO2=HO2NO2 + 3.780000E+004 9 HO2 30 2.467842E+001 HO2+NO3=OH+NO2 + 3.780000E+004 9 HO2 52 4.233598E-005 ETHENO3O2+HO2=ETHO2HNO3 + 3.780000E+004 9 HO2 65 6.024627E+000 HOCH2CH2O2+HO2=HYETHO2H + 3.780000E+004 9 HO2 97 5.390767E-007 NO3CH2CO3+HO2=HCHO+NO2+OH + 3.780000E+004 9 HO2 98 1.837762E-007 NO3CH2CO3+HO2=NO3CH2CO2H+O3 + 3.780000E+004 9 HO2 99 5.023215E-007 NO3CH2CO3+HO2=NO3CH2CO3H + 3.780000E+004 9 HO2 107 1.519909E-001 HOCH2CO3+HO2=HO2+HCHO+OH + 3.780000E+004 9 HO2 108 5.181507E-002 HOCH2CO3+HO2=HOCH2CO2H+O3 + 3.780000E+004 9 HO2 109 1.416279E-001 HOCH2CO3+HO2=HOCH2CO3H + 3.780000E+004 9 HO2 134 1.740302E-004 HCOCO3+HO2=HCOCO2H+O3 + 3.780000E+004 9 HO2 135 4.756826E-004 HCOCO3+HO2=HCOCO3H + 3.780000E+004 9 HO2 136 5.104886E-004 HCOCO3+HO2=HO2+CO+OH + 4.140000E+004 8 OH 16 2.664537E+004 OH+O3=HO2 + 4.140000E+004 8 OH 17 1.517295E+000 OH+H2=HO2 + 4.140000E+004 8 OH 18 6.691021E+005 OH+CO=HO2 + 4.140000E+004 8 OH 19 1.230508E+001 OH+H2O2=HO2 + 4.140000E+004 8 OH 21 1.785143E+002 OH+HO2= + 4.140000E+004 8 OH 24 2.057102E+005 OH+NO=HONO + 4.140000E+004 8 OH 25 4.576551E+005 OH+NO2=HNO3 + 4.140000E+004 8 OH 26 1.664201E+001 OH+NO3=HO2+NO2 + 4.140000E+004 8 OH 29 1.115070E+001 OH+HO2NO2=NO2 + 4.140000E+004 8 OH 31 1.186397E+003 OH+HONO=NO2 + 4.140000E+004 8 OH 32 4.531830E+003 OH+HNO3=NO3 + 4.140000E+004 8 OH 34 0.000000E+000 OH+SO2=HSO3 + 4.140000E+004 8 OH 51 7.996525E+003 C2H4+OH=HOCH2CH2O2 + 4.140000E+004 8 OH 61 4.089874E+003 OH+HCHO=HO2+CO + 4.140000E+004 8 OH 72 1.604429E-006 ETHO2HNO3+OH=ETHENO3O2 + 4.140000E+004 8 OH 73 7.127871E-007 ETHO2HNO3+OH=NO3CH2CHO+OH + 4.140000E+004 8 OH 77 2.916113E+000 ETHOHNO3+OH=HOCH2CHO+NO2 + 4.140000E+004 8 OH 79 4.854035E-003 NO3CH2CHO+OH=NO3CH2CO3 + 4.140000E+004 8 OH 87 3.474026E-001 HYETHO2H+OH=HOCH2CH2O2 + 4.140000E+004 8 OH 88 1.314729E+000 HYETHO2H+OH=HOCH2CHO+OH + 4.140000E+004 8 OH 92 6.117110E-004 ETHGLY+OH=HOCH2CHO+HO2 + 4.140000E+004 8 OH 94 2.472522E+002 HOCH2CHO+OH=GLYOX+HO2 + 4.140000E+004 8 OH 95 9.890087E+002 HOCH2CHO+OH=HOCH2CO3 + 4.140000E+004 8 OH 106 1.917289E+000 HCOOH+OH=HO2 + 4.140000E+004 8 OH 119 4.948911E+001 OH+GLYOX=HCOCO + 4.140000E+004 8 OH 120 3.998627E-010 NO3CH2CO2H+OH=HCHO+NO2 + 4.140000E+004 8 OH 121 2.071119E-008 NO3CH2CO3H+OH=NO3CH2CO3 + 4.140000E+004 8 OH 123 3.060549E-007 NO3CH2PAN+OH=HCHO+CO+NO2+NO2 + 4.140000E+004 8 OH 125 1.819212E-003 HOCH2CO2H+OH=HCHO+HO2 + 4.140000E+004 8 OH 126 9.925792E-003 HOCH2CO3H+OH=HOCH2CO3 + 4.140000E+004 8 OH 128 8.623457E+000 PHAN+OH=HCHO+CO+NO2 + 4.140000E+004 8 OH 143 1.058268E-005 OH+HCOCO2H=CO+HO2 + 4.140000E+004 8 OH 146 6.242240E-005 OH+HCOCO3H=HCOCO3 + 4.140000E+004 9 HO2 20 3.015456E+003 HO2+O3=OH + 4.140000E+004 9 HO2 21 1.785143E+002 OH+HO2= + 4.140000E+004 9 HO2 22 4.228459E+001 HO2+HO2=H2O2 + 4.140000E+004 9 HO2 23 3.176326E+001 HO2+HO2=H2O2 + 4.140000E+004 9 HO2 27 7.243348E+005 HO2+NO=OH+NO2 + 4.140000E+004 9 HO2 28 1.367751E+005 HO2+NO2=HO2NO2 + 4.140000E+004 9 HO2 30 1.327229E+001 HO2+NO3=OH+NO2 + 4.140000E+004 9 HO2 52 2.812677E-005 ETHENO3O2+HO2=ETHO2HNO3 + 4.140000E+004 9 HO2 65 8.636769E-001 HOCH2CH2O2+HO2=HYETHO2H + 4.140000E+004 9 HO2 97 1.416239E-007 NO3CH2CO3+HO2=HCHO+NO2+OH + 4.140000E+004 9 HO2 98 4.828089E-008 NO3CH2CO3+HO2=NO3CH2CO2H+O3 + 4.140000E+004 9 HO2 99 1.319677E-007 NO3CH2CO3+HO2=NO3CH2CO3H + 4.140000E+004 9 HO2 107 3.517456E-002 HOCH2CO3+HO2=HO2+HCHO+OH + 4.140000E+004 9 HO2 108 1.199133E-002 HOCH2CO3+HO2=HOCH2CO2H+O3 + 4.140000E+004 9 HO2 109 3.277629E-002 HOCH2CO3+HO2=HOCH2CO3H + 4.140000E+004 9 HO2 134 2.138956E-005 HCOCO3+HO2=HCOCO2H+O3 + 4.140000E+004 9 HO2 135 5.846480E-005 HCOCO3+HO2=HCOCO3H + 4.140000E+004 9 HO2 136 6.274271E-005 HCOCO3+HO2=HO2+CO+OH + 4.500000E+004 8 OH 16 1.117582E+003 OH+O3=HO2 + 4.500000E+004 8 OH 17 7.038076E-002 OH+H2=HO2 + 4.500000E+004 8 OH 18 2.909103E+004 OH+CO=HO2 + 4.500000E+004 8 OH 19 5.625889E-001 OH+H2O2=HO2 + 4.500000E+004 8 OH 21 1.104331E+000 OH+HO2= + 4.500000E+004 8 OH 24 2.854596E+003 OH+NO=HONO + 4.500000E+004 8 OH 25 2.601321E+004 OH+NO2=HNO3 + 4.500000E+004 8 OH 26 2.626629E+000 OH+NO3=HO2+NO2 + 4.500000E+004 8 OH 29 9.106431E-002 OH+HO2NO2=NO2 + 4.500000E+004 8 OH 31 1.835555E+001 OH+HONO=NO2 + 4.500000E+004 8 OH 32 1.958773E+002 OH+HNO3=NO3 + 4.500000E+004 8 OH 34 0.000000E+000 OH+SO2=HSO3 + 4.500000E+004 8 OH 51 3.442724E+002 C2H4+OH=HOCH2CH2O2 + 4.500000E+004 8 OH 61 1.735258E+002 OH+HCHO=HO2+CO + 4.500000E+004 8 OH 72 7.885250E-008 ETHO2HNO3+OH=ETHENO3O2 + 4.500000E+004 8 OH 73 3.503117E-008 ETHO2HNO3+OH=NO3CH2CHO+OH + 4.500000E+004 8 OH 77 1.280121E-001 ETHOHNO3+OH=HOCH2CHO+NO2 + 4.500000E+004 8 OH 79 3.689060E-004 NO3CH2CHO+OH=NO3CH2CO3 + 4.500000E+004 8 OH 87 1.491029E-002 HYETHO2H+OH=HOCH2CH2O2 + 4.500000E+004 8 OH 88 5.642734E-002 HYETHO2H+OH=HOCH2CHO+OH + 4.500000E+004 8 OH 92 2.637669E-005 ETHGLY+OH=HOCH2CHO+HO2 + 4.500000E+004 8 OH 94 1.072816E+001 HOCH2CHO+OH=GLYOX+HO2 + 4.500000E+004 8 OH 95 4.291262E+001 HOCH2CHO+OH=HOCH2CO3 + 4.500000E+004 8 OH 106 9.636251E-002 HCOOH+OH=HO2 + 4.500000E+004 8 OH 119 1.975885E+000 OH+GLYOX=HCOCO + 4.500000E+004 8 OH 120 1.772072E-011 NO3CH2CO2H+OH=HCHO+NO2 + 4.500000E+004 8 OH 121 9.138268E-010 NO3CH2CO3H+OH=NO3CH2CO3 + 4.500000E+004 8 OH 123 1.199847E-008 NO3CH2PAN+OH=HCHO+CO+NO2+NO2 + 4.500000E+004 8 OH 125 8.026569E-005 HOCH2CO2H+OH=HCHO+HO2 + 4.500000E+004 8 OH 126 4.358671E-004 HOCH2CO3H+OH=HOCH2CO3 + 4.500000E+004 8 OH 128 3.244875E-001 PHAN+OH=HCHO+CO+NO2 + 4.500000E+004 8 OH 143 3.828657E-007 OH+HCOCO2H=CO+HO2 + 4.500000E+004 8 OH 146 2.665503E-006 OH+HCOCO3H=HCOCO3 + 4.500000E+004 9 HO2 20 4.137510E+002 HO2+O3=OH + 4.500000E+004 9 HO2 21 1.104331E+000 OH+HO2= + 4.500000E+004 9 HO2 22 8.557300E-001 HO2+HO2=H2O2 + 4.500000E+004 9 HO2 23 6.428057E-001 HO2+HO2=H2O2 + 4.500000E+004 9 HO2 27 3.288187E+004 HO2+NO=OH+NO2 + 4.500000E+004 9 HO2 28 2.543261E+004 HO2+NO2=HO2NO2 + 4.500000E+004 9 HO2 30 6.852786E+000 HO2+NO3=OH+NO2 + 4.500000E+004 9 HO2 52 4.429797E-005 ETHENO3O2+HO2=ETHO2HNO3 + 4.500000E+004 9 HO2 65 1.667213E-002 HOCH2CH2O2+HO2=HYETHO2H + 4.500000E+004 9 HO2 97 1.379016E-008 NO3CH2CO3+HO2=HCHO+NO2+OH + 4.500000E+004 9 HO2 98 4.701193E-009 NO3CH2CO3+HO2=NO3CH2CO2H+O3 + 4.500000E+004 9 HO2 99 1.284993E-008 NO3CH2CO3+HO2=NO3CH2CO3H + 4.500000E+004 9 HO2 107 3.580825E-003 HOCH2CO3+HO2=HO2+HCHO+OH + 4.500000E+004 9 HO2 108 1.220736E-003 HOCH2CO3+HO2=HOCH2CO2H+O3 + 4.500000E+004 9 HO2 109 3.336678E-003 HOCH2CO3+HO2=HOCH2CO3H + 4.500000E+004 9 HO2 134 1.564266E-007 HCOCO3+HO2=HCOCO2H+O3 + 4.500000E+004 9 HO2 135 4.275660E-007 HCOCO3+HO2=HCOCO3H + 4.500000E+004 9 HO2 136 4.588513E-007 HCOCO3+HO2=HO2+CO+OH + 4.860000E+004 8 OH 16 1.702313E+001 OH+O3=HO2 + 4.860000E+004 8 OH 17 1.101256E-003 OH+H2=HO2 + 4.860000E+004 8 OH 18 4.543628E+002 OH+CO=HO2 + 4.860000E+004 8 OH 19 9.223576E-003 OH+H2O2=HO2 + 4.860000E+004 8 OH 21 1.313623E-002 OH+HO2= + 4.860000E+004 8 OH 24 4.890725E-003 OH+NO=HONO + 4.860000E+004 8 OH 25 4.178314E+002 OH+NO2=HNO3 + 4.860000E+004 8 OH 26 3.412864E+000 OH+NO3=HO2+NO2 + 4.860000E+004 8 OH 29 1.084833E-003 OH+HO2NO2=NO2 + 4.860000E+004 8 OH 31 2.642532E-001 OH+HONO=NO2 + 4.860000E+004 8 OH 32 2.994487E+000 OH+HNO3=NO3 + 4.860000E+004 8 OH 34 0.000000E+000 OH+SO2=HSO3 + 4.860000E+004 8 OH 51 5.360961E+000 C2H4+OH=HOCH2CH2O2 + 4.860000E+004 8 OH 61 2.725711E+000 OH+HCHO=HO2+CO + 4.860000E+004 8 OH 72 3.351098E-007 ETHO2HNO3+OH=ETHENO3O2 + 4.860000E+004 8 OH 73 1.488766E-007 ETHO2HNO3+OH=NO3CH2CHO+OH + 4.860000E+004 8 OH 77 1.999641E-003 ETHOHNO3+OH=HOCH2CHO+NO2 + 4.860000E+004 8 OH 79 9.374500E-005 NO3CH2CHO+OH=NO3CH2CO3 + 4.860000E+004 8 OH 87 2.328571E-004 HYETHO2H+OH=HOCH2CH2O2 + 4.860000E+004 8 OH 88 8.812371E-004 HYETHO2H+OH=HOCH2CHO+OH + 4.860000E+004 8 OH 92 4.129168E-007 ETHGLY+OH=HOCH2CHO+HO2 + 4.860000E+004 8 OH 94 1.673127E-001 HOCH2CHO+OH=GLYOX+HO2 + 4.860000E+004 8 OH 95 6.692507E-001 HOCH2CHO+OH=HOCH2CO3 + 4.860000E+004 8 OH 106 1.700840E-003 HCOOH+OH=HO2 + 4.860000E+004 8 OH 119 3.056469E-002 OH+GLYOX=HCOCO + 4.860000E+004 8 OH 120 2.803603E-013 NO3CH2CO2H+OH=HCHO+NO2 + 4.860000E+004 8 OH 121 1.443188E-011 NO3CH2CO3H+OH=NO3CH2CO3 + 4.860000E+004 8 OH 123 3.726219E-010 NO3CH2PAN+OH=HCHO+CO+NO2+NO2 + 4.860000E+004 8 OH 125 1.258168E-006 HOCH2CO2H+OH=HCHO+HO2 + 4.860000E+004 8 OH 126 6.830238E-006 HOCH2CO3H+OH=HOCH2CO3 + 4.860000E+004 8 OH 128 5.113494E-003 PHAN+OH=HCHO+CO+NO2 + 4.860000E+004 8 OH 143 5.900741E-009 OH+HCOCO2H=CO+HO2 + 4.860000E+004 8 OH 146 4.162313E-008 OH+HCOCO3H=HCOCO3 + 4.860000E+004 9 HO2 20 3.073130E+002 HO2+O3=OH + 4.860000E+004 9 HO2 21 1.313623E-002 OH+HO2= + 4.860000E+004 9 HO2 22 4.963521E-001 HO2+HO2=H2O2 + 4.860000E+004 9 HO2 23 3.728489E-001 HO2+HO2=H2O2 + 4.860000E+004 9 HO2 27 2.747053E+000 HO2+NO=OH+NO2 + 4.860000E+004 9 HO2 28 1.991957E+004 HO2+NO2=HO2NO2 + 4.860000E+004 9 HO2 30 4.341795E+002 HO2+NO3=OH+NO2 + 4.860000E+004 9 HO2 52 2.189703E-001 ETHENO3O2+HO2=ETHO2HNO3 + 4.860000E+004 9 HO2 65 1.793767E-002 HOCH2CH2O2+HO2=HYETHO2H + 4.860000E+004 9 HO2 97 1.491807E-007 NO3CH2CO3+HO2=HCHO+NO2+OH + 4.860000E+004 9 HO2 98 5.085704E-008 NO3CH2CO3+HO2=NO3CH2CO2H+O3 + 4.860000E+004 9 HO2 99 1.390092E-007 NO3CH2CO3+HO2=NO3CH2CO3H + 4.860000E+004 9 HO2 107 3.624699E-003 HOCH2CO3+HO2=HO2+HCHO+OH + 4.860000E+004 9 HO2 108 1.235693E-003 HOCH2CO3+HO2=HOCH2CO2H+O3 + 4.860000E+004 9 HO2 109 3.377561E-003 HOCH2CO3+HO2=HOCH2CO3H + 4.860000E+004 9 HO2 134 4.889583E-007 HCOCO3+HO2=HCOCO2H+O3 + 4.860000E+004 9 HO2 135 1.336486E-006 HCOCO3+HO2=HCOCO3H + 4.860000E+004 9 HO2 136 1.434278E-006 HCOCO3+HO2=HO2+CO+OH diff --git a/tests/model_tests/spec_model_func/output/mainSolverParameters.output.cmp b/tests/model_tests/spec_model_func/output/mainSolverParameters.output.cmp new file mode 100644 index 000000000..03162cfda --- /dev/null +++ b/tests/model_tests/spec_model_func/output/mainSolverParameters.output.cmp @@ -0,0 +1,31 @@ + t currentStepSize previousStepSize LENRW LENIW NST NFE NETF NCFN NNI NSETUPS QU QCUR NOR LENRWLS LENIWLS LS_FLAG NFELS NJTV NPE NPS NLI NCFL + 2.43E+04 1.00000000E+002 6.65202487E+001 579 50 155 191 1 0 190 44 5 4 0 15546 105 0 278 278 3 447 278 0 + 2.52E+04 1.00000000E+002 1.00000000E+002 579 50 164 201 1 0 200 45 4 4 0 15546 105 0 304 304 3 483 304 0 + 2.61E+04 1.00000000E+002 1.00000000E+002 579 50 173 210 1 0 209 45 4 4 0 15546 105 0 322 322 3 510 322 0 + 2.70E+04 1.00000000E+002 1.00000000E+002 579 50 182 219 1 0 218 46 4 5 0 15546 105 0 333 333 4 530 333 0 + 2.79E+04 1.00000000E+002 1.00000000E+002 579 50 191 228 1 0 227 46 4 4 0 15546 105 0 342 342 4 548 342 0 + 2.88E+04 1.00000000E+002 1.00000000E+002 579 50 200 237 1 0 236 47 4 4 0 15546 105 0 350 350 4 565 350 0 + 2.97E+04 1.00000000E+002 1.00000000E+002 579 50 209 246 1 0 245 47 4 4 0 15546 105 0 360 360 4 584 360 0 + 3.06E+04 1.00000000E+002 1.00000000E+002 579 50 218 255 1 0 254 48 4 3 0 15546 105 0 375 375 4 608 375 0 + 3.15E+04 1.00000000E+002 1.00000000E+002 579 50 227 264 1 0 263 48 4 4 0 15546 105 0 389 389 4 631 389 0 + 3.24E+04 1.00000000E+002 1.00000000E+002 579 50 236 273 1 0 272 49 4 3 0 15546 105 0 403 403 5 654 403 0 + 3.33E+04 1.00000000E+002 1.00000000E+002 579 50 245 282 1 0 281 49 4 4 0 15546 105 0 411 411 5 671 411 0 + 3.42E+04 1.00000000E+002 1.00000000E+002 579 50 254 291 1 0 290 49 4 3 0 15546 105 0 420 420 5 689 420 0 + 3.51E+04 1.00000000E+002 1.00000000E+002 579 50 263 300 1 0 299 50 4 4 0 15546 105 0 429 429 5 707 429 0 + 3.60E+04 1.00000000E+002 1.00000000E+002 579 50 272 309 1 0 308 50 4 3 0 15546 105 0 439 439 5 726 439 0 + 3.69E+04 1.00000000E+002 1.00000000E+002 579 50 281 318 1 0 317 51 4 4 0 15546 105 0 448 448 5 744 448 0 + 3.78E+04 1.00000000E+002 1.00000000E+002 579 50 290 327 1 0 326 51 4 3 0 15546 105 0 460 460 5 765 460 0 + 3.87E+04 1.00000000E+002 1.00000000E+002 579 50 299 336 1 0 335 52 4 4 0 15546 105 0 470 470 6 784 470 0 + 3.96E+04 1.00000000E+002 1.00000000E+002 579 50 308 345 1 0 344 52 4 4 0 15546 105 0 478 478 6 801 478 0 + 4.05E+04 1.00000000E+002 1.00000000E+002 579 50 317 354 1 0 353 53 4 4 0 15546 105 0 487 487 6 819 487 0 + 4.14E+04 1.00000000E+002 1.00000000E+002 579 50 326 363 1 0 362 53 4 4 0 15546 105 0 497 497 6 838 497 0 + 4.23E+04 1.00000000E+002 1.00000000E+002 579 50 335 372 1 0 371 53 4 4 0 15546 105 0 510 510 6 860 510 0 + 4.32E+04 1.00000000E+002 1.00000000E+002 579 50 344 381 1 0 380 54 4 5 0 15546 105 0 528 528 6 887 528 0 + 4.41E+04 1.00000000E+002 1.00000000E+002 579 50 353 390 1 0 389 54 4 4 0 15546 105 0 561 561 6 929 561 0 + 4.50E+04 1.00000000E+002 1.00000000E+002 579 50 362 399 1 0 398 55 4 4 0 15546 105 0 590 590 7 967 590 0 + 4.59E+04 6.58728262E+001 6.58728262E+001 579 50 372 415 2 0 414 56 4 4 0 15546 105 0 644 644 7 1037 644 0 + 4.68E+04 2.50109535E+001 2.50109535E+001 579 50 390 441 4 0 440 58 4 4 0 15546 105 0 766 766 7 1185 766 0 + 4.77E+04 1.00000000E+002 1.00000000E+002 579 50 476 592 30 0 591 107 4 4 0 15546 105 0 923 923 9 1469 923 0 + 4.86E+04 1.00000000E+002 1.00000000E+002 579 50 485 601 30 0 600 107 4 4 0 15546 105 0 941 941 9 1496 941 0 + 4.95E+04 1.00000000E+002 1.00000000E+002 579 50 494 610 30 0 609 107 4 4 0 15546 105 0 958 958 9 1522 958 0 + 5.04E+04 1.00000000E+002 1.00000000E+002 579 50 503 619 30 0 618 108 4 4 0 15546 105 0 970 970 9 1543 970 0 diff --git a/tests/model_tests/spec_model_func/output/photolysisRates.output.cmp b/tests/model_tests/spec_model_func/output/photolysisRates.output.cmp new file mode 100644 index 000000000..50336850a --- /dev/null +++ b/tests/model_tests/spec_model_func/output/photolysisRates.output.cmp @@ -0,0 +1,31 @@ + t J1 J2 J3 J4 J5 J6 J7 J8 J11 J12 J13 J14 J15 J16 J17 J18 J19 J20 J21 J22 J23 J24 J31 J32 J33 J34 J35 J41 J51 J52 J53 J54 J55 J56 J61 + 2.430000E+004 3.663925E-005 4.384407E-004 7.764841E-006 8.855794E-003 2.221914E-002 1.535626E-001 1.967022E-003 6.703261E-007 3.210360E-005 4.905566E-005 4.730384E-006 1.972512E-005 1.959330E-005 1.175458E-005 5.412368E-005 1.089342E-006 1.089342E-006 5.586370E-004 5.937774E-007 3.899272E-006 1.785843E-006 1.785401E-006 5.572421E-005 8.401372E-006 2.745634E-005 1.241698E-004 2.668800E-004 5.708706E-006 1.131655E-006 1.334059E-006 1.751976E-006 2.925916E-006 8.183259E-006 3.097731E-005 5.714504E-004 + 2.520000E+004 3.666388E-005 4.384909E-004 7.767201E-006 8.857172E-003 2.222100E-002 1.535757E-001 1.967350E-003 6.706384E-007 3.211447E-005 4.906758E-005 4.732707E-006 1.973365E-005 1.960010E-005 1.175865E-005 5.414222E-005 1.089572E-006 1.089572E-006 5.587549E-004 5.941098E-007 3.901009E-006 1.786218E-006 1.785776E-006 5.572983E-005 8.402219E-006 2.746430E-005 1.241841E-004 2.669095E-004 5.710370E-006 1.132160E-006 1.334698E-006 1.752785E-006 2.927182E-006 8.186442E-006 3.099057E-005 5.715831E-004 + 2.610000E+004 3.635296E-005 4.378547E-004 7.737332E-006 8.839718E-003 2.219739E-002 1.534100E-001 1.963186E-003 6.666913E-007 3.197699E-005 4.891657E-005 4.703344E-006 1.962586E-005 1.951412E-005 1.170707E-005 5.390772E-005 1.086661E-006 1.086661E-006 5.572622E-004 5.899095E-007 3.879043E-006 1.781467E-006 1.781026E-006 5.565858E-005 8.391476E-006 2.736345E-005 1.240030E-004 2.665354E-004 5.689304E-006 1.125776E-006 1.326627E-006 1.742554E-006 2.911178E-006 8.146178E-006 3.082290E-005 5.699024E-004 + 2.700000E+004 3.571172E-005 4.365282E-004 7.675260E-006 8.803289E-003 2.214807E-002 1.530638E-001 1.954495E-003 6.585187E-007 3.169142E-005 4.860215E-005 4.642556E-006 1.940245E-005 1.933557E-005 1.159996E-005 5.342065E-005 1.080596E-006 1.080596E-006 5.541519E-004 5.812309E-007 3.833527E-006 1.771567E-006 1.771128E-006 5.550963E-005 8.369019E-006 2.715375E-005 1.236245E-004 2.657534E-004 5.645511E-006 1.112551E-006 1.309918E-006 1.721365E-006 2.878015E-006 8.062661E-006 3.047539E-005 5.664032E-004 + 2.790000E+004 3.475091E-005 4.345031E-004 7.581039E-006 8.747579E-003 2.207258E-002 1.525336E-001 1.941208E-003 6.461899E-007 3.125828E-005 4.812330E-005 4.550879E-006 1.906489E-005 1.906489E-005 1.143757E-005 5.268193E-005 1.071347E-006 1.071347E-006 5.494085E-004 5.681872E-007 3.764778E-006 1.756469E-006 1.756034E-006 5.528122E-005 8.334583E-006 2.683514E-005 1.230448E-004 2.645550E-004 5.579001E-006 1.092585E-006 1.284720E-006 1.689392E-006 2.827921E-006 7.936296E-006 2.995035E-005 5.610752E-004 + 2.880000E+004 3.348671E-005 4.317667E-004 7.454749E-006 8.672113E-003 2.197014E-002 1.518136E-001 1.923220E-003 6.298107E-007 3.067836E-005 4.747844E-005 4.429132E-006 1.861538E-005 1.870274E-005 1.122031E-005 5.169298E-005 1.058867E-006 1.058867E-006 5.430087E-004 5.509489E-007 3.673282E-006 1.736097E-006 1.735667E-006 5.497062E-005 8.287754E-006 2.640752E-005 1.222577E-004 2.629265E-004 5.489785E-006 1.066028E-006 1.251259E-006 1.646898E-006 2.761243E-006 7.767701E-006 2.925126E-005 5.539021E-004 + 2.970000E+004 3.194052E-005 4.283011E-004 7.296496E-006 8.576226E-003 2.183972E-002 1.508961E-001 1.900380E-003 6.095228E-007 2.995274E-005 4.666541E-005 4.278411E-006 1.805689E-005 1.825002E-005 1.094870E-005 5.045574E-005 1.043093E-006 1.043093E-006 5.349194E-004 5.297425E-007 3.559689E-006 1.710347E-006 1.709924E-006 5.457398E-005 8.227955E-006 2.587073E-005 1.212545E-004 2.608487E-004 5.377879E-006 1.033083E-006 1.209836E-006 1.594235E-006 2.678448E-006 7.557707E-006 2.838285E-005 5.448614E-004 + 3.060000E+004 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1.158127E-006 3.536131E-006 1.235174E-005 3.399851E-004 + 3.960000E+004 6.601589E-006 3.274348E-004 3.502986E-006 5.662702E-003 1.766174E-002 1.210406E-001 1.216184E-003 2.057705E-007 1.305470E-005 2.513579E-005 1.321866E-006 6.441054E-006 7.851156E-006 4.710131E-006 2.172980E-005 6.063033E-007 6.063033E-007 3.109248E-004 1.481568E-007 1.226794E-006 9.967153E-007 9.964686E-007 4.132577E-005 6.230562E-006 1.265440E-005 8.888979E-005 1.926292E-004 2.650632E-006 3.622917E-007 3.939497E-007 5.389832E-007 9.674297E-007 3.000631E-006 1.032694E-005 3.058031E-004 + 4.050000E+004 4.720409E-006 3.092706E-004 2.982650E-006 5.125166E-003 1.682186E-002 1.149507E-001 1.092425E-003 1.635794E-007 1.084997E-005 2.179442E-005 1.024320E-006 5.152686E-006 6.517055E-006 3.909766E-006 1.800344E-005 5.343819E-007 5.343819E-007 2.740420E-004 1.140010E-007 9.735651E-007 8.790508E-007 8.788333E-007 3.858613E-005 5.817514E-006 1.078407E-005 8.244459E-005 1.788083E-004 2.268120E-006 2.898260E-007 3.103503E-007 4.278648E-007 7.783672E-007 2.459067E-006 8.315571E-006 2.684429E-004 + 4.140000E+004 3.117865E-006 2.882056E-004 2.439329E-006 4.505728E-003 1.581138E-002 1.075984E-001 9.510071E-004 1.232623E-007 8.597217E-006 1.817405E-005 7.454500E-007 3.902842E-006 5.159708E-006 3.095455E-006 1.420617E-005 4.547617E-007 4.547617E-007 2.332111E-004 8.280457E-008 7.298946E-007 7.487107E-007 7.485255E-007 3.528814E-005 5.320287E-006 8.815988E-006 7.478595E-005 1.623046E-004 1.865794E-006 2.199090E-007 2.311011E-007 3.215805E-007 5.946335E-007 1.920257E-006 6.356852E-006 2.276828E-004 + 4.230000E+004 1.833638E-006 2.633356E-004 1.879158E-006 3.788250E-003 1.456726E-002 9.852066E-002 7.890325E-004 8.590911E-008 6.342925E-006 1.428521E-005 4.944181E-007 2.727063E-006 3.807124E-006 2.284002E-006 1.042079E-005 3.669193E-007 3.669193E-007 1.881637E-004 5.536878E-008 5.030946E-007 6.047888E-007 6.046392E-007 3.125293E-005 4.711910E-006 6.772083E-006 6.555764E-005 1.423175E-004 1.447395E-006 1.544221E-007 1.584777E-007 2.231032E-007 4.210400E-007 1.396567E-006 4.502360E-006 1.833875E-004 + 4.320000E+004 8.967198E-007 2.332006E-004 1.314386E-006 2.955996E-003 1.298621E-002 8.697082E-002 6.040687E-004 5.291976E-008 4.166771E-006 1.018549E-005 2.824903E-007 1.674179E-006 2.506054E-006 1.503453E-006 6.787441E-006 2.710529E-007 2.710529E-007 1.390015E-004 3.255733E-008 3.029659E-007 4.475267E-007 4.474159E-007 2.622290E-005 3.953548E-006 4.700204E-006 5.426574E-005 1.177402E-004 1.021137E-006 9.587242E-008 9.534659E-008 1.362886E-007 2.641603E-007 9.064330E-007 2.823245E-006 1.357409E-004 + 4.410000E+004 3.150514E-007 1.952581E-004 7.708300E-007 2.002538E-003 1.088738E-002 7.168062E-002 3.971175E-004 2.615198E-008 2.210693E-006 6.053476E-006 1.231199E-007 8.128935E-007 1.338295E-006 8.028811E-007 3.551521E-006 1.697272E-007 1.697272E-007 8.703959E-005 1.529486E-008 1.427882E-007 2.809867E-007 2.809171E-007 1.984616E-005 2.992146E-006 2.705741E-006 4.028431E-005 8.718473E-005 6.055379E-007 4.772351E-008 4.537522E-008 6.626736E-008 1.333567E-007 4.789340E-007 1.421678E-006 8.592625E-005 + 4.500000E+004 5.376318E-008 1.446703E-004 3.052413E-007 9.772666E-004 7.934727E-003 5.044893E-002 1.833181E-004 8.008978E-009 7.253621E-007 2.372879E-006 2.945195E-008 2.349433E-007 4.474901E-007 2.684620E-007 1.134815E-006 7.273287E-008 7.273287E-008 3.729891E-005 4.468587E-009 3.910192E-008 1.210217E-007 1.209917E-007 1.180127E-005 1.779241E-006 1.021789E-006 2.321184E-005 4.983127E-005 2.435280E-007 1.465815E-008 1.294547E-008 1.956991E-008 4.182602E-008 1.608018E-007 4.423040E-007 3.817353E-005 + 4.590000E+004 1.169013E-009 7.564653E-005 3.828182E-008 1.741800E-004 3.792653E-003 2.196983E-002 2.856514E-005 6.324189E-010 5.735729E-008 2.648166E-007 1.232053E-009 1.508696E-008 3.771219E-008 2.262461E-008 8.397447E-008 9.869957E-009 9.869957E-009 5.061516E-006 3.562588E-010 2.211032E-009 1.662830E-008 1.662419E-008 3.324377E-006 5.012063E-007 1.103782E-007 6.127910E-006 1.278457E-005 3.128385E-008 1.133764E-009 8.589003E-010 1.391958E-009 3.357119E-009 1.457629E-008 3.450026E-008 5.895228E-006 + 4.680000E+004 7.376316E-027 9.390202E-008 5.124918E-018 1.455665E-013 7.073089E-007 1.143179E-006 4.631457E-015 3.777998E-021 2.471681E-020 1.952241E-018 1.711143E-024 2.479438E-021 4.720058E-020 2.831697E-020 1.553168E-020 5.754781E-019 5.754781E-019 2.951170E-016 1.724885E-020 8.091523E-023 1.132077E-018 1.131797E-018 5.397477E-013 8.137613E-014 1.373821E-018 5.394892E-013 6.868487E-013 4.528438E-018 3.372905E-021 5.858643E-022 1.777919E-021 1.263351E-020 1.217019E-019 7.922904E-020 3.271556E-015 + 4.770000E+004 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 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0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 + 5.040000E+004 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 diff --git a/tests/model_tests/spec_model_func/output/photolysisRatesParameters.output.cmp b/tests/model_tests/spec_model_func/output/photolysisRatesParameters.output.cmp new file mode 100644 index 000000000..ac7f73da2 --- /dev/null +++ b/tests/model_tests/spec_model_func/output/photolysisRatesParameters.output.cmp @@ -0,0 +1,31 @@ + t latitude longitude secx cosx lha sinld cosld eqtime + 2.340000E+004 -7.326000E+000 -7.244900E+001 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 + 2.430000E+004 -7.326000E+000 -7.244900E+001 1.014205E+000 9.859942E-001 -3.751710E-002 3.663024E-002 9.500325E-001 6.973437E-002 + 2.520000E+004 -7.326000E+000 -7.244900E+001 1.013898E+000 9.862922E-001 2.793274E-002 3.663024E-002 9.500325E-001 6.973437E-002 + 2.610000E+004 -7.326000E+000 -7.244900E+001 1.017787E+000 9.825235E-001 9.338259E-002 3.663024E-002 9.500325E-001 6.973437E-002 + 2.700000E+004 -7.326000E+000 -7.244900E+001 1.025952E+000 9.747044E-001 1.588324E-001 3.663024E-002 9.500325E-001 6.973437E-002 + 2.790000E+004 -7.326000E+000 -7.244900E+001 1.038564E+000 9.628682E-001 2.242823E-001 3.663024E-002 9.500325E-001 6.973437E-002 + 2.880000E+004 -7.326000E+000 -7.244900E+001 1.055893E+000 9.470658E-001 2.897321E-001 3.663024E-002 9.500325E-001 6.973437E-002 + 2.970000E+004 -7.326000E+000 -7.244900E+001 1.078324E+000 9.273648E-001 3.551820E-001 3.663024E-002 9.500325E-001 6.973437E-002 + 3.060000E+004 -7.326000E+000 -7.244900E+001 1.106379E+000 9.038495E-001 4.206318E-001 3.663024E-002 9.500325E-001 6.973437E-002 + 3.150000E+004 -7.326000E+000 -7.244900E+001 1.140744E+000 8.766206E-001 4.860817E-001 3.663024E-002 9.500325E-001 6.973437E-002 + 3.240000E+004 -7.326000E+000 -7.244900E+001 1.182320E+000 8.457948E-001 5.515315E-001 3.663024E-002 9.500325E-001 6.973437E-002 + 3.330000E+004 -7.326000E+000 -7.244900E+001 1.232280E+000 8.115040E-001 6.169814E-001 3.663024E-002 9.500325E-001 6.973437E-002 + 3.420000E+004 -7.326000E+000 -7.244900E+001 1.292165E+000 7.738951E-001 6.824312E-001 3.663024E-002 9.500325E-001 6.973437E-002 + 3.510000E+004 -7.326000E+000 -7.244900E+001 1.364016E+000 7.331291E-001 7.478811E-001 3.663024E-002 9.500325E-001 6.973437E-002 + 3.600000E+004 -7.326000E+000 -7.244900E+001 1.450578E+000 6.893806E-001 8.133309E-001 3.663024E-002 9.500325E-001 6.973437E-002 + 3.690000E+004 -7.326000E+000 -7.244900E+001 1.555605E+000 6.428369E-001 8.787808E-001 3.663024E-002 9.500325E-001 6.973437E-002 + 3.780000E+004 -7.326000E+000 -7.244900E+001 1.684360E+000 5.936973E-001 9.442306E-001 3.663024E-002 9.500325E-001 6.973437E-002 + 3.870000E+004 -7.326000E+000 -7.244900E+001 1.844432E+000 5.421723E-001 1.009680E+000 3.663024E-002 9.500325E-001 6.973437E-002 + 3.960000E+004 -7.326000E+000 -7.244900E+001 2.047156E+000 4.884825E-001 1.075130E+000 3.663024E-002 9.500325E-001 6.973437E-002 + 4.050000E+004 -7.326000E+000 -7.244900E+001 2.310228E+000 4.328577E-001 1.140580E+000 3.663024E-002 9.500325E-001 6.973437E-002 + 4.140000E+004 -7.326000E+000 -7.244900E+001 2.662858E+000 3.755363E-001 1.206030E+000 3.663024E-002 9.500325E-001 6.973437E-002 + 4.230000E+004 -7.326000E+000 -7.244900E+001 3.156928E+000 3.167636E-001 1.271480E+000 3.663024E-002 9.500325E-001 6.973437E-002 + 4.320000E+004 -7.326000E+000 -7.244900E+001 3.894212E+000 2.567914E-001 1.336930E+000 3.663024E-002 9.500325E-001 6.973437E-002 + 4.410000E+004 -7.326000E+000 -7.244900E+001 5.105261E+000 1.958764E-001 1.402380E+000 3.663024E-002 9.500325E-001 6.973437E-002 + 4.500000E+004 -7.326000E+000 -7.244900E+001 7.447157E+000 1.342794E-001 1.467829E+000 3.663024E-002 9.500325E-001 6.973437E-002 + 4.590000E+004 -7.326000E+000 -7.244900E+001 1.337171E+001 7.478477E-002 1.530624E+000 3.663024E-002 9.500325E-001 6.973437E-002 + 4.680000E+004 -7.326000E+000 -7.244900E+001 8.991747E+001 1.112131E-002 1.597650E+000 3.663024E-002 9.500325E-001 6.973437E-002 + 4.770000E+004 -7.326000E+000 -7.244900E+001 1.000000E+002 0.000000E+000 1.665776E+000 3.663024E-002 9.500325E-001 6.973437E-002 + 4.860000E+004 -7.326000E+000 -7.244900E+001 1.000000E+002 0.000000E+000 1.731226E+000 3.663024E-002 9.500325E-001 6.973437E-002 + 4.950000E+004 -7.326000E+000 -7.244900E+001 1.000000E+002 0.000000E+000 1.796675E+000 3.663024E-002 9.500325E-001 6.973437E-002 diff --git a/tests/model_tests/spec_model_func/output/productionRates.output.cmp b/tests/model_tests/spec_model_func/output/productionRates.output.cmp new file mode 100644 index 000000000..75d2580d5 --- /dev/null +++ b/tests/model_tests/spec_model_func/output/productionRates.output.cmp @@ -0,0 +1,400 @@ + time speciesNumber speciesName reactionNumber rate reaction + 2.700000E+004 8 OH 15 3.983258E+006 O1D=OH+OH + 2.700000E+004 8 OH 20 1.268479E+004 HO2+O3=OH + 2.700000E+004 8 OH 27 6.034940E+006 HO2+NO=OH+NO2 + 2.700000E+004 8 OH 30 2.994469E+001 HO2+NO3=OH+NO2 + 2.700000E+004 8 OH 41 4.100921E+001 H2O2=OH+OH + 2.700000E+004 8 OH 45 3.323675E+006 HONO=OH+NO + 2.700000E+004 8 OH 46 8.259176E+003 HNO3=OH+NO2 + 2.700000E+004 8 OH 64 2.532358E+002 CH2OOA=HO2+CO+OH + 2.700000E+004 8 OH 73 1.193158E-006 ETHO2HNO3+OH=NO3CH2CHO+OH + 2.700000E+004 8 OH 74 7.872378E-007 ETHO2HNO3=ETHENO3O+OH + 2.700000E+004 8 OH 88 4.060893E+000 HYETHO2H+OH=HOCH2CHO+OH + 2.700000E+004 8 OH 89 3.145324E-001 HYETHO2H=HOCH2CH2O+OH + 2.700000E+004 8 OH 97 5.037550E-007 NO3CH2CO3+HO2=HCHO+NO2+OH + 2.700000E+004 8 OH 107 1.366702E-001 HOCH2CO3+HO2=HO2+HCHO+OH + 2.700000E+004 8 OH 122 4.169128E-009 NO3CH2CO3H=HCHO+NO2+OH + 2.700000E+004 8 OH 127 1.005184E-003 HOCH2CO3H=HCHO+HO2+OH + 2.700000E+004 8 OH 132 3.861569E+001 HCOCO=CO+OH + 2.700000E+004 8 OH 136 2.442872E-004 HCOCO3+HO2=HO2+CO+OH + 2.700000E+004 8 OH 144 1.220270E-006 HCOCO3H=HO2+CO+OH + 2.700000E+004 8 OH 145 4.179358E-006 HCOCO3H=HO2+CO+OH + 2.700000E+004 9 HO2 16 2.215678E+005 OH+O3=HO2 + 2.700000E+004 9 HO2 17 1.111119E+000 OH+H2=HO2 + 2.700000E+004 9 HO2 18 5.682220E+006 OH+CO=HO2 + 2.700000E+004 9 HO2 19 2.363295E+001 OH+H2O2=HO2 + 2.700000E+004 9 HO2 26 7.422233E+001 OH+NO3=HO2+NO2 + 2.700000E+004 9 HO2 35 0.000000E+000 HSO3=HO2+SO3 + 2.700000E+004 9 HO2 48 5.846925E+005 HO2NO2=HO2+NO2 + 2.700000E+004 9 HO2 58 2.617403E+004 HCHO=CO+HO2+HO2 + 2.700000E+004 9 HO2 60 1.595827E-001 NO3+HCHO=HNO3+CO+HO2 + 2.700000E+004 9 HO2 61 1.871710E+004 OH+HCHO=HO2+CO + 2.700000E+004 9 HO2 64 2.532358E+002 CH2OOA=HO2+CO+OH + 2.700000E+004 9 HO2 76 2.464991E-001 ETHENO3O=NO3CH2CHO+HO2 + 2.700000E+004 9 HO2 90 7.281123E+004 HOCH2CH2O=HO2+HCHO+HCHO + 2.700000E+004 9 HO2 91 2.834978E+004 HOCH2CH2O=HO2+HOCH2CHO + 2.700000E+004 9 HO2 92 2.093661E-003 ETHGLY+OH=HOCH2CHO+HO2 + 2.700000E+004 9 HO2 94 8.973135E+002 HOCH2CHO+OH=GLYOX+HO2 + 2.700000E+004 9 HO2 96 3.284890E+003 HOCH2CHO=HO2+HCHO+HO2+CO + 2.700000E+004 9 HO2 105 9.567411E-002 HCOCH2O=HCHO+CO+HO2 + 2.700000E+004 9 HO2 106 4.150924E+000 HCOOH+OH=HO2 + 2.700000E+004 9 HO2 107 1.366702E-001 HOCH2CO3+HO2=HO2+HCHO+OH + 2.700000E+004 9 HO2 110 2.561827E+003 HOCH2CO3+NO=NO2+HO2+HCHO + 2.700000E+004 9 HO2 112 5.462221E-003 HOCH2CO3+NO3=NO2+HO2+HCHO + 2.700000E+004 9 HO2 113 2.316530E-003 HOCH2CO3=HCHO+HO2 + 2.700000E+004 9 HO2 116 6.983917E+001 GLYOX=CO+CO+HO2+HO2 + 2.700000E+004 9 HO2 125 9.829209E-004 HOCH2CO2H+OH=HCHO+HO2 + 2.700000E+004 9 HO2 127 1.005184E-003 HOCH2CO3H=HCHO+HO2+OH + 2.700000E+004 9 HO2 130 7.869986E+000 HCOCO=CO+CO+HO2 + 2.700000E+004 9 HO2 131 1.422218E+001 HCOCO=CO+CO+HO2 + 2.700000E+004 9 HO2 136 2.442872E-004 HCOCO3+HO2=HO2+CO+OH + 2.700000E+004 9 HO2 137 4.579063E+000 HCOCO3+NO=HO2+CO+NO2 + 2.700000E+004 9 HO2 138 2.313242E+000 HCOCO3+NO2=HO2+CO+NO3 + 2.700000E+004 9 HO2 139 9.763289E-006 HCOCO3+NO3=HO2+CO+NO2 + 2.700000E+004 9 HO2 140 4.140615E-006 HCOCO3=CO+HO2 + 2.700000E+004 9 HO2 142 1.883629E-005 HCOCO2H=HO2+HO2+CO + 2.700000E+004 9 HO2 143 4.949327E-006 OH+HCOCO2H=CO+HO2 + 2.700000E+004 9 HO2 144 1.220270E-006 HCOCO3H=HO2+CO+OH + 2.700000E+004 9 HO2 145 4.179358E-006 HCOCO3H=HO2+CO+OH + 3.060000E+004 8 OH 15 3.396742E+006 O1D=OH+OH + 3.060000E+004 8 OH 20 1.380405E+004 HO2+O3=OH + 3.060000E+004 8 OH 27 5.726488E+006 HO2+NO=OH+NO2 + 3.060000E+004 8 OH 30 3.421050E+001 HO2+NO3=OH+NO2 + 3.060000E+004 8 OH 41 8.532345E+001 H2O2=OH+OH + 3.060000E+004 8 OH 45 2.869864E+006 HONO=OH+NO + 3.060000E+004 8 OH 46 1.482369E+004 HNO3=OH+NO2 + 3.060000E+004 8 OH 64 2.194666E+002 CH2OOA=HO2+CO+OH + 3.060000E+004 8 OH 73 2.452812E-006 ETHO2HNO3+OH=NO3CH2CHO+OH + 3.060000E+004 8 OH 74 1.583425E-006 ETHO2HNO3=ETHENO3O+OH + 3.060000E+004 8 OH 88 7.870969E+000 HYETHO2H+OH=HOCH2CHO+OH + 3.060000E+004 8 OH 89 5.964822E-001 HYETHO2H=HOCH2CH2O+OH + 3.060000E+004 8 OH 97 9.395930E-007 NO3CH2CO3+HO2=HCHO+NO2+OH + 3.060000E+004 8 OH 107 2.946403E-001 HOCH2CO3+HO2=HO2+HCHO+OH + 3.060000E+004 8 OH 122 1.617308E-008 NO3CH2CO3H=HCHO+NO2+OH + 3.060000E+004 8 OH 127 4.511439E-003 HOCH2CO3H=HCHO+HO2+OH + 3.060000E+004 8 OH 132 1.243111E+002 HCOCO=CO+OH + 3.060000E+004 8 OH 136 9.478962E-004 HCOCO3+HO2=HO2+CO+OH + 3.060000E+004 8 OH 144 9.740414E-006 HCOCO3H=HO2+CO+OH + 3.060000E+004 8 OH 145 3.289568E-005 HCOCO3H=HO2+CO+OH + 3.060000E+004 9 HO2 16 2.125165E+005 OH+O3=HO2 + 3.060000E+004 9 HO2 17 3.803105E+000 OH+H2=HO2 + 3.060000E+004 9 HO2 18 5.371256E+006 OH+CO=HO2 + 3.060000E+004 9 HO2 19 5.041078E+001 OH+H2O2=HO2 + 3.060000E+004 9 HO2 26 7.473717E+001 OH+NO3=HO2+NO2 + 3.060000E+004 9 HO2 35 0.000000E+000 HSO3=HO2+SO3 + 3.060000E+004 9 HO2 48 5.846126E+005 HO2NO2=HO2+NO2 + 3.060000E+004 9 HO2 58 3.933851E+004 HCHO=CO+HO2+HO2 + 3.060000E+004 9 HO2 60 2.772460E-001 NO3+HCHO=HNO3+CO+HO2 + 3.060000E+004 9 HO2 61 2.909829E+004 OH+HCHO=HO2+CO + 3.060000E+004 9 HO2 64 2.194666E+002 CH2OOA=HO2+CO+OH + 3.060000E+004 9 HO2 76 2.242522E-001 ETHENO3O=NO3CH2CHO+HO2 + 3.060000E+004 9 HO2 90 5.931358E+004 HOCH2CH2O=HO2+HCHO+HCHO + 3.060000E+004 9 HO2 91 2.309434E+004 HOCH2CH2O=HO2+HOCH2CHO + 3.060000E+004 9 HO2 92 3.859513E-003 ETHGLY+OH=HOCH2CHO+HO2 + 3.060000E+004 9 HO2 94 1.487621E+003 HOCH2CHO+OH=GLYOX+HO2 + 3.060000E+004 9 HO2 96 5.254143E+003 HOCH2CHO=HO2+HCHO+HO2+CO + 3.060000E+004 9 HO2 105 1.288851E-001 HCOCH2O=HCHO+CO+HO2 + 3.060000E+004 9 HO2 106 7.295505E+000 HCOOH+OH=HO2 + 3.060000E+004 9 HO2 107 2.946403E-001 HOCH2CO3+HO2=HO2+HCHO+OH + 3.060000E+004 9 HO2 110 4.518112E+003 HOCH2CO3+NO=NO2+HO2+HCHO + 3.060000E+004 9 HO2 112 1.159847E-002 HOCH2CO3+NO3=NO2+HO2+HCHO + 3.060000E+004 9 HO2 113 4.342582E-003 HOCH2CO3=HCHO+HO2 + 3.060000E+004 9 HO2 116 2.204154E+002 GLYOX=CO+CO+HO2+HO2 + 3.060000E+004 9 HO2 125 4.619565E-003 HOCH2CO2H+OH=HCHO+HO2 + 3.060000E+004 9 HO2 127 4.511439E-003 HOCH2CO3H=HCHO+HO2+OH + 3.060000E+004 9 HO2 130 2.533495E+001 HCOCO=CO+CO+HO2 + 3.060000E+004 9 HO2 131 4.578383E+001 HCOCO=CO+CO+HO2 + 3.060000E+004 9 HO2 136 9.478962E-004 HCOCO3+HO2=HO2+CO+OH + 3.060000E+004 9 HO2 137 1.453536E+001 HCOCO3+NO=HO2+CO+NO2 + 3.060000E+004 9 HO2 138 7.722796E+000 HCOCO3+NO2=HO2+CO+NO3 + 3.060000E+004 9 HO2 139 3.731379E-005 HCOCO3+NO3=HO2+CO+NO2 + 3.060000E+004 9 HO2 140 1.397065E-005 HCOCO3=CO+HO2 + 3.060000E+004 9 HO2 142 1.474739E-004 HCOCO2H=HO2+HO2+CO + 3.060000E+004 9 HO2 143 3.788601E-005 OH+HCOCO2H=CO+HO2 + 3.060000E+004 9 HO2 144 9.740414E-006 HCOCO3H=HO2+CO+OH + 3.060000E+004 9 HO2 145 3.289568E-005 HCOCO3H=HO2+CO+OH + 3.420000E+004 8 OH 15 2.392025E+006 O1D=OH+OH + 3.420000E+004 8 OH 20 1.214561E+004 HO2+O3=OH + 3.420000E+004 8 OH 27 4.356926E+006 HO2+NO=OH+NO2 + 3.420000E+004 8 OH 30 3.278958E+001 HO2+NO3=OH+NO2 + 3.420000E+004 8 OH 41 1.080381E+002 H2O2=OH+OH + 3.420000E+004 8 OH 45 1.975601E+006 HONO=OH+NO + 3.420000E+004 8 OH 46 1.609572E+004 HNO3=OH+NO2 + 3.420000E+004 8 OH 64 1.938783E+002 CH2OOA=HO2+CO+OH + 3.420000E+004 8 OH 73 2.841066E-006 ETHO2HNO3+OH=NO3CH2CHO+OH + 3.420000E+004 8 OH 74 2.054624E-006 ETHO2HNO3=ETHENO3O+OH + 3.420000E+004 8 OH 88 7.756254E+000 HYETHO2H+OH=HOCH2CHO+OH + 3.420000E+004 8 OH 89 6.584743E-001 HYETHO2H=HOCH2CH2O+OH + 3.420000E+004 8 OH 97 9.459267E-007 NO3CH2CO3+HO2=HCHO+NO2+OH + 3.420000E+004 8 OH 107 2.960771E-001 HOCH2CO3+HO2=HO2+HCHO+OH + 3.420000E+004 8 OH 122 2.708045E-008 NO3CH2CO3H=HCHO+NO2+OH + 3.420000E+004 8 OH 127 7.858380E-003 HOCH2CO3H=HCHO+HO2+OH + 3.420000E+004 8 OH 132 1.535237E+002 HCOCO=CO+OH + 3.420000E+004 8 OH 136 1.128296E-003 HCOCO3+HO2=HO2+CO+OH + 3.420000E+004 8 OH 144 2.047918E-005 HCOCO3H=HO2+CO+OH + 3.420000E+004 8 OH 145 6.711531E-005 HCOCO3H=HO2+CO+OH + 3.420000E+004 9 HO2 16 1.633187E+005 OH+O3=HO2 + 3.420000E+004 9 HO2 17 5.422633E+000 OH+H2=HO2 + 3.420000E+004 9 HO2 18 4.080574E+006 OH+CO=HO2 + 3.420000E+004 9 HO2 19 5.734272E+001 OH+H2O2=HO2 + 3.420000E+004 9 HO2 26 6.256677E+001 OH+NO3=HO2+NO2 + 3.420000E+004 9 HO2 35 0.000000E+000 HSO3=HO2+SO3 + 3.420000E+004 9 HO2 48 4.897041E+005 HO2NO2=HO2+NO2 + 3.420000E+004 9 HO2 58 3.774531E+004 HCHO=CO+HO2+HO2 + 3.420000E+004 9 HO2 60 3.510543E-001 NO3+HCHO=HNO3+CO+HO2 + 3.420000E+004 9 HO2 61 2.558343E+004 OH+HCHO=HO2+CO + 3.420000E+004 9 HO2 64 1.938783E+002 CH2OOA=HO2+CO+OH + 3.420000E+004 9 HO2 76 2.158054E-001 ETHENO3O=NO3CH2CHO+HO2 + 3.420000E+004 9 HO2 90 3.960824E+004 HOCH2CH2O=HO2+HCHO+HCHO + 3.420000E+004 9 HO2 91 1.542187E+004 HOCH2CH2O=HO2+HOCH2CHO + 3.420000E+004 9 HO2 92 3.652461E-003 ETHGLY+OH=HOCH2CHO+HO2 + 3.420000E+004 9 HO2 94 1.387170E+003 HOCH2CHO+OH=GLYOX+HO2 + 3.420000E+004 9 HO2 96 5.326043E+003 HOCH2CHO=HO2+HCHO+HO2+CO + 3.420000E+004 9 HO2 105 1.262054E-001 HCOCH2O=HCHO+CO+HO2 + 3.420000E+004 9 HO2 106 7.779484E+000 HCOOH+OH=HO2 + 3.420000E+004 9 HO2 107 2.960771E-001 HOCH2CO3+HO2=HO2+HCHO+OH + 3.420000E+004 9 HO2 110 4.533498E+003 HOCH2CO3+NO=NO2+HO2+HCHO + 3.420000E+004 9 HO2 112 1.466094E-002 HOCH2CO3+NO3=NO2+HO2+HCHO + 3.420000E+004 9 HO2 113 3.879663E-003 HOCH2CO3=HCHO+HO2 + 3.420000E+004 9 HO2 116 3.040167E+002 GLYOX=CO+CO+HO2+HO2 + 3.420000E+004 9 HO2 125 7.350617E-003 HOCH2CO2H+OH=HCHO+HO2 + 3.420000E+004 9 HO2 127 7.858380E-003 HOCH2CO3H=HCHO+HO2+OH + 3.420000E+004 9 HO2 130 3.128857E+001 HCOCO=CO+CO+HO2 + 3.420000E+004 9 HO2 131 5.654287E+001 HCOCO=CO+CO+HO2 + 3.420000E+004 9 HO2 136 1.128296E-003 HCOCO3+HO2=HO2+CO+OH + 3.420000E+004 9 HO2 137 1.727634E+001 HCOCO3+NO=HO2+CO+NO2 + 3.420000E+004 9 HO2 138 1.008234E+001 HCOCO3+NO2=HO2+CO+NO3 + 3.420000E+004 9 HO2 139 5.587019E-005 HCOCO3+NO3=HO2+CO+NO2 + 3.420000E+004 9 HO2 140 1.478470E-005 HCOCO3=CO+HO2 + 3.420000E+004 9 HO2 142 3.128734E-004 HCOCO2H=HO2+HO2+CO + 3.420000E+004 9 HO2 143 6.539885E-005 OH+HCOCO2H=CO+HO2 + 3.420000E+004 9 HO2 144 2.047918E-005 HCOCO3H=HO2+CO+OH + 3.420000E+004 9 HO2 145 6.711531E-005 HCOCO3H=HO2+CO+OH + 3.780000E+004 8 OH 15 1.253850E+006 O1D=OH+OH + 3.780000E+004 8 OH 20 7.849545E+003 HO2+O3=OH + 3.780000E+004 8 OH 27 2.407412E+006 HO2+NO=OH+NO2 + 3.780000E+004 8 OH 30 2.467842E+001 HO2+NO3=OH+NO2 + 3.780000E+004 8 OH 41 9.646266E+001 H2O2=OH+OH + 3.780000E+004 8 OH 45 1.005338E+006 HONO=OH+NO + 3.780000E+004 8 OH 46 1.206195E+004 HNO3=OH+NO2 + 3.780000E+004 8 OH 64 1.776933E+002 CH2OOA=HO2+CO+OH + 3.780000E+004 8 OH 73 2.033180E-006 ETHO2HNO3+OH=NO3CH2CHO+OH + 3.780000E+004 8 OH 74 1.993259E-006 ETHO2HNO3=ETHENO3O+OH + 3.780000E+004 8 OH 88 4.513372E+000 HYETHO2H+OH=HOCH2CHO+OH + 3.780000E+004 8 OH 89 5.194275E-001 HYETHO2H=HOCH2CH2O+OH + 3.780000E+004 8 OH 97 5.390767E-007 NO3CH2CO3+HO2=HCHO+NO2+OH + 3.780000E+004 8 OH 107 1.519909E-001 HOCH2CO3+HO2=HO2+HCHO+OH + 3.780000E+004 8 OH 122 2.756230E-008 NO3CH2CO3H=HCHO+NO2+OH + 3.780000E+004 8 OH 127 7.898782E-003 HOCH2CO3H=HCHO+HO2+OH + 3.780000E+004 8 OH 132 9.785523E+001 HCOCO=CO+OH + 3.780000E+004 8 OH 136 5.104886E-004 HCOCO3+HO2=HO2+CO+OH + 3.780000E+004 8 OH 144 2.068037E-005 HCOCO3H=HO2+CO+OH + 3.780000E+004 8 OH 145 6.410007E-005 HCOCO3H=HO2+CO+OH + 3.780000E+004 9 HO2 16 9.026490E+004 OH+O3=HO2 + 3.780000E+004 9 HO2 17 4.234773E+000 OH+H2=HO2 + 3.780000E+004 9 HO2 18 2.246608E+006 OH+CO=HO2 + 3.780000E+004 9 HO2 19 3.818066E+001 OH+H2O2=HO2 + 3.780000E+004 9 HO2 26 4.027012E+001 OH+NO3=HO2+NO2 + 3.780000E+004 9 HO2 35 0.000000E+000 HSO3=HO2+SO3 + 3.780000E+004 9 HO2 48 3.208619E+005 HO2NO2=HO2+NO2 + 3.780000E+004 9 HO2 58 2.713318E+004 HCHO=CO+HO2+HO2 + 3.780000E+004 9 HO2 60 4.136801E-001 NO3+HCHO=HNO3+CO+HO2 + 3.780000E+004 9 HO2 61 1.426505E+004 OH+HCHO=HO2+CO + 3.780000E+004 9 HO2 64 1.776933E+002 CH2OOA=HO2+CO+OH + 3.780000E+004 9 HO2 76 2.302334E-001 ETHENO3O=NO3CH2CHO+HO2 + 3.780000E+004 9 HO2 90 2.007526E+004 HOCH2CH2O=HO2+HCHO+HCHO + 3.780000E+004 9 HO2 91 7.816503E+003 HOCH2CH2O=HO2+HOCH2CHO + 3.780000E+004 9 HO2 92 2.091059E-003 ETHGLY+OH=HOCH2CHO+HO2 + 3.780000E+004 9 HO2 94 8.191962E+002 HOCH2CHO+OH=GLYOX+HO2 + 3.780000E+004 9 HO2 96 4.032656E+003 HOCH2CHO=HO2+HCHO+HO2+CO + 3.780000E+004 9 HO2 105 1.031314E-001 HCOCH2O=HCHO+CO+HO2 + 3.780000E+004 9 HO2 106 5.393641E+000 HCOOH+OH=HO2 + 3.780000E+004 9 HO2 107 1.519909E-001 HOCH2CO3+HO2=HO2+HCHO+OH + 3.780000E+004 9 HO2 110 3.087939E+003 HOCH2CO3+NO=NO2+HO2+HCHO + 3.780000E+004 9 HO2 112 1.360217E-002 HOCH2CO3+NO3=NO2+HO2+HCHO + 3.780000E+004 9 HO2 113 1.844002E-003 HOCH2CO3=HCHO+HO2 + 3.780000E+004 9 HO2 116 2.631728E+002 GLYOX=CO+CO+HO2+HO2 + 3.780000E+004 9 HO2 125 5.562444E-003 HOCH2CO2H+OH=HCHO+HO2 + 3.780000E+004 9 HO2 127 7.898782E-003 HOCH2CO3H=HCHO+HO2+OH + 3.780000E+004 9 HO2 130 1.994317E+001 HCOCO=CO+CO+HO2 + 3.780000E+004 9 HO2 131 3.604013E+001 HCOCO=CO+CO+HO2 + 3.780000E+004 9 HO2 136 5.104886E-004 HCOCO3+HO2=HO2+CO+OH + 3.780000E+004 9 HO2 137 1.037140E+001 HCOCO3+NO=HO2+CO+NO2 + 3.780000E+004 9 HO2 138 7.152689E+000 HCOCO3+NO2=HO2+CO+NO3 + 3.780000E+004 9 HO2 139 4.568533E-005 HCOCO3+NO3=HO2+CO+NO2 + 3.780000E+004 9 HO2 140 6.193412E-006 HCOCO3=CO+HO2 + 3.780000E+004 9 HO2 142 3.251979E-004 HCOCO2H=HO2+HO2+CO + 3.780000E+004 9 HO2 143 4.257738E-005 OH+HCOCO2H=CO+HO2 + 3.780000E+004 9 HO2 144 2.068037E-005 HCOCO3H=HO2+CO+OH + 3.780000E+004 9 HO2 145 6.410007E-005 HCOCO3H=HO2+CO+OH + 4.140000E+004 8 OH 15 3.488080E+005 O1D=OH+OH + 4.140000E+004 8 OH 20 3.015456E+003 HO2+O3=OH + 4.140000E+004 8 OH 27 7.243348E+005 HO2+NO=OH+NO2 + 4.140000E+004 8 OH 30 1.327229E+001 HO2+NO3=OH+NO2 + 4.140000E+004 8 OH 41 5.699138E+001 H2O2=OH+OH + 4.140000E+004 8 OH 45 2.940675E+005 HONO=OH+NO + 4.140000E+004 8 OH 46 5.360096E+003 HNO3=OH+NO2 + 4.140000E+004 8 OH 64 1.688799E+002 CH2OOA=HO2+CO+OH + 4.140000E+004 8 OH 73 7.127871E-007 ETHO2HNO3+OH=NO3CH2CHO+OH + 4.140000E+004 8 OH 74 1.305305E-006 ETHO2HNO3=ETHENO3O+OH + 4.140000E+004 8 OH 88 1.314729E+000 HYETHO2H+OH=HOCH2CHO+OH + 4.140000E+004 8 OH 89 2.826341E-001 HYETHO2H=HOCH2CH2O+OH + 4.140000E+004 8 OH 97 1.416239E-007 NO3CH2CO3+HO2=HCHO+NO2+OH + 4.140000E+004 8 OH 107 3.517456E-002 HOCH2CO3+HO2=HO2+HCHO+OH + 4.140000E+004 8 OH 122 1.692645E-008 NO3CH2CO3H=HCHO+NO2+OH + 4.140000E+004 8 OH 127 4.757095E-003 HOCH2CO3H=HCHO+HO2+OH + 4.140000E+004 8 OH 132 3.000590E+001 HCOCO=CO+OH + 4.140000E+004 8 OH 136 6.274271E-005 HCOCO3+HO2=HO2+CO+OH + 4.140000E+004 8 OH 144 1.172062E-005 HCOCO3H=HO2+CO+OH + 4.140000E+004 8 OH 145 3.241248E-005 HCOCO3H=HO2+CO+OH + 4.140000E+004 9 HO2 16 2.664537E+004 OH+O3=HO2 + 4.140000E+004 9 HO2 17 1.517295E+000 OH+H2=HO2 + 4.140000E+004 9 HO2 18 6.691021E+005 OH+CO=HO2 + 4.140000E+004 9 HO2 19 1.230508E+001 OH+H2O2=HO2 + 4.140000E+004 9 HO2 26 1.664201E+001 OH+NO3=HO2+NO2 + 4.140000E+004 9 HO2 35 0.000000E+000 HSO3=HO2+SO3 + 4.140000E+004 9 HO2 48 1.384439E+005 HO2NO2=HO2+NO2 + 4.140000E+004 9 HO2 58 1.302993E+004 HCHO=CO+HO2+HO2 + 4.140000E+004 9 HO2 60 5.514376E-001 NO3+HCHO=HNO3+CO+HO2 + 4.140000E+004 9 HO2 61 4.089874E+003 OH+HCHO=HO2+CO + 4.140000E+004 9 HO2 64 1.688799E+002 CH2OOA=HO2+CO+OH + 4.140000E+004 9 HO2 76 3.065561E-001 ETHENO3O=NO3CH2CHO+HO2 + 4.140000E+004 9 HO2 90 5.494332E+003 HOCH2CH2O=HO2+HCHO+HCHO + 4.140000E+004 9 HO2 91 2.139274E+003 HOCH2CH2O=HO2+HOCH2CHO + 4.140000E+004 9 HO2 92 6.117110E-004 ETHGLY+OH=HOCH2CHO+HO2 + 4.140000E+004 9 HO2 94 2.472522E+002 HOCH2CHO+OH=GLYOX+HO2 + 4.140000E+004 9 HO2 96 2.028472E+003 HOCH2CHO=HO2+HCHO+HO2+CO + 4.140000E+004 9 HO2 105 6.215673E-002 HCOCH2O=HCHO+CO+HO2 + 4.140000E+004 9 HO2 106 1.917289E+000 HCOOH+OH=HO2 + 4.140000E+004 9 HO2 107 3.517456E-002 HOCH2CO3+HO2=HO2+HCHO+OH + 4.140000E+004 9 HO2 110 1.428333E+003 HOCH2CO3+NO=NO2+HO2+HCHO + 4.140000E+004 9 HO2 112 1.124627E-002 HOCH2CO3+NO3=NO2+HO2+HCHO + 4.140000E+004 9 HO2 113 4.184220E-004 HOCH2CO3=HCHO+HO2 + 4.140000E+004 9 HO2 116 1.393840E+002 GLYOX=CO+CO+HO2+HO2 + 4.140000E+004 9 HO2 125 1.819212E-003 HOCH2CO2H+OH=HCHO+HO2 + 4.140000E+004 9 HO2 127 4.757095E-003 HOCH2CO3H=HCHO+HO2+OH + 4.140000E+004 9 HO2 130 6.115286E+000 HCOCO=CO+CO+HO2 + 4.140000E+004 9 HO2 131 1.105119E+001 HCOCO=CO+CO+HO2 + 4.140000E+004 9 HO2 136 6.274271E-005 HCOCO3+HO2=HO2+CO+OH + 4.140000E+004 9 HO2 137 2.547792E+000 HCOCO3+NO=HO2+CO+NO2 + 4.140000E+004 9 HO2 138 2.504451E+000 HCOCO3+NO2=HO2+CO+NO3 + 4.140000E+004 9 HO2 139 2.006057E-005 HCOCO3+NO3=HO2+CO+NO2 + 4.140000E+004 9 HO2 140 7.463614E-007 HCOCO3=CO+HO2 + 4.140000E+004 9 HO2 142 2.046182E-004 HCOCO2H=HO2+HO2+CO + 4.140000E+004 9 HO2 143 1.058268E-005 OH+HCOCO2H=CO+HO2 + 4.140000E+004 9 HO2 144 1.172062E-005 HCOCO3H=HO2+CO+OH + 4.140000E+004 9 HO2 145 3.241248E-005 HCOCO3H=HO2+CO+OH + 4.500000E+004 8 OH 15 5.845277E+003 O1D=OH+OH + 4.500000E+004 8 OH 20 4.137510E+002 HO2+O3=OH + 4.500000E+004 8 OH 27 3.288187E+004 HO2+NO=OH+NO2 + 4.500000E+004 8 OH 30 6.852786E+000 HO2+NO3=OH+NO2 + 4.500000E+004 8 OH 41 7.497904E+000 H2O2=OH+OH + 4.500000E+004 8 OH 45 2.016773E+004 HONO=OH+NO + 4.500000E+004 8 OH 46 3.461632E+002 HNO3=OH+NO2 + 4.500000E+004 8 OH 64 1.612858E+002 CH2OOA=HO2+CO+OH + 4.500000E+004 8 OH 73 3.503117E-008 ETHO2HNO3+OH=NO3CH2CHO+OH + 4.500000E+004 8 OH 74 1.925499E-007 ETHO2HNO3=ETHENO3O+OH + 4.500000E+004 8 OH 88 5.642734E-002 HYETHO2H+OH=HOCH2CHO+OH + 4.500000E+004 8 OH 89 3.640944E-002 HYETHO2H=HOCH2CH2O+OH + 4.500000E+004 8 OH 97 1.379016E-008 NO3CH2CO3+HO2=HCHO+NO2+OH + 4.500000E+004 8 OH 107 3.580825E-003 HOCH2CO3+HO2=HO2+HCHO+OH + 4.500000E+004 8 OH 122 2.241614E-009 NO3CH2CO3H=HCHO+NO2+OH + 4.500000E+004 8 OH 127 6.269992E-004 HOCH2CO3H=HCHO+HO2+OH + 4.500000E+004 8 OH 132 1.176945E+000 HCOCO=CO+OH + 4.500000E+004 8 OH 136 4.588513E-007 HCOCO3+HO2=HO2+CO+OH + 4.500000E+004 8 OH 144 1.502193E-006 HCOCO3H=HO2+CO+OH + 4.500000E+004 8 OH 145 2.760326E-006 HCOCO3H=HO2+CO+OH + 4.500000E+004 9 HO2 16 1.117582E+003 OH+O3=HO2 + 4.500000E+004 9 HO2 17 7.038076E-002 OH+H2=HO2 + 4.500000E+004 9 HO2 18 2.909103E+004 OH+CO=HO2 + 4.500000E+004 9 HO2 19 5.625889E-001 OH+H2O2=HO2 + 4.500000E+004 9 HO2 26 2.626629E+000 OH+NO3=HO2+NO2 + 4.500000E+004 9 HO2 35 0.000000E+000 HSO3=HO2+SO3 + 4.500000E+004 9 HO2 48 2.599987E+004 HO2NO2=HO2+NO2 + 4.500000E+004 9 HO2 58 1.072616E+003 HCHO=CO+HO2+HO2 + 4.500000E+004 9 HO2 60 1.952745E+000 NO3+HCHO=HNO3+CO+HO2 + 4.500000E+004 9 HO2 61 1.735258E+002 OH+HCHO=HO2+CO + 4.500000E+004 9 HO2 64 1.612858E+002 CH2OOA=HO2+CO+OH + 4.500000E+004 9 HO2 76 1.082220E+000 ETHENO3O=NO3CH2CHO+HO2 + 4.500000E+004 9 HO2 90 2.483535E+002 HOCH2CH2O=HO2+HCHO+HCHO + 4.500000E+004 9 HO2 91 9.669894E+001 HOCH2CH2O=HO2+HOCH2CHO + 4.500000E+004 9 HO2 92 2.637669E-005 ETHGLY+OH=HOCH2CHO+HO2 + 4.500000E+004 9 HO2 94 1.072816E+001 HOCH2CHO+OH=GLYOX+HO2 + 4.500000E+004 9 HO2 96 1.755348E+002 HOCH2CHO=HO2+HCHO+HO2+CO + 4.500000E+004 9 HO2 105 7.715841E-003 HCOCH2O=HCHO+CO+HO2 + 4.500000E+004 9 HO2 106 9.636251E-002 HCOOH+OH=HO2 + 4.500000E+004 9 HO2 107 3.580825E-003 HOCH2CO3+HO2=HO2+HCHO+OH + 4.500000E+004 9 HO2 110 3.261718E+002 HOCH2CO3+NO=NO2+HO2+HCHO + 4.500000E+004 9 HO2 112 2.920987E-002 HOCH2CO3+NO3=NO2+HO2+HCHO + 4.500000E+004 9 HO2 113 5.386647E-005 HOCH2CO3=HCHO+HO2 + 4.500000E+004 9 HO2 116 1.483223E+001 GLYOX=CO+CO+HO2+HO2 + 4.500000E+004 9 HO2 125 8.026569E-005 HOCH2CO2H+OH=HCHO+HO2 + 4.500000E+004 9 HO2 127 6.269992E-004 HOCH2CO3H=HCHO+HO2+OH + 4.500000E+004 9 HO2 130 2.398647E-001 HCOCO=CO+CO+HO2 + 4.500000E+004 9 HO2 131 4.334695E-001 HCOCO=CO+CO+HO2 + 4.500000E+004 9 HO2 136 4.588513E-007 HCOCO3+HO2=HO2+CO+OH + 4.500000E+004 9 HO2 137 4.179606E-002 HCOCO3+NO=HO2+CO+NO2 + 4.500000E+004 9 HO2 138 1.682870E-001 HCOCO3+NO2=HO2+CO+NO3 + 4.500000E+004 9 HO2 139 3.742989E-006 HCOCO3+NO3=HO2+CO+NO2 + 4.500000E+004 9 HO2 140 6.902516E-009 HCOCO3=CO+HO2 + 4.500000E+004 9 HO2 142 5.283670E-005 HCOCO2H=HO2+HO2+CO + 4.500000E+004 9 HO2 143 3.828657E-007 OH+HCOCO2H=CO+HO2 + 4.500000E+004 9 HO2 144 1.502193E-006 HCOCO3H=HO2+CO+OH + 4.500000E+004 9 HO2 145 2.760326E-006 HCOCO3H=HO2+CO+OH + 4.860000E+004 8 OH 15 1.212316E-090 O1D=OH+OH + 4.860000E+004 8 OH 20 3.073130E+002 HO2+O3=OH + 4.860000E+004 8 OH 27 2.747053E+000 HO2+NO=OH+NO2 + 4.860000E+004 8 OH 30 4.341795E+002 HO2+NO3=OH+NO2 + 4.860000E+004 8 OH 41 0.000000E+000 H2O2=OH+OH + 4.860000E+004 8 OH 45 0.000000E+000 HONO=OH+NO + 4.860000E+004 8 OH 46 0.000000E+000 HNO3=OH+NO2 + 4.860000E+004 8 OH 64 1.568221E+002 CH2OOA=HO2+CO+OH + 4.860000E+004 8 OH 73 1.488766E-007 ETHO2HNO3+OH=NO3CH2CHO+OH + 4.860000E+004 8 OH 74 0.000000E+000 ETHO2HNO3=ETHENO3O+OH + 4.860000E+004 8 OH 88 8.812371E-004 HYETHO2H+OH=HOCH2CHO+OH + 4.860000E+004 8 OH 89 0.000000E+000 HYETHO2H=HOCH2CH2O+OH + 4.860000E+004 8 OH 97 1.491807E-007 NO3CH2CO3+HO2=HCHO+NO2+OH + 4.860000E+004 8 OH 107 3.624699E-003 HOCH2CO3+HO2=HO2+HCHO+OH + 4.860000E+004 8 OH 122 0.000000E+000 NO3CH2CO3H=HCHO+NO2+OH + 4.860000E+004 8 OH 127 0.000000E+000 HOCH2CO3H=HCHO+HO2+OH + 4.860000E+004 8 OH 132 3.986542E+000 HCOCO=CO+OH + 4.860000E+004 8 OH 136 1.434278E-006 HCOCO3+HO2=HO2+CO+OH + 4.860000E+004 8 OH 144 0.000000E+000 HCOCO3H=HO2+CO+OH + 4.860000E+004 8 OH 145 0.000000E+000 HCOCO3H=HO2+CO+OH + 4.860000E+004 9 HO2 16 1.702313E+001 OH+O3=HO2 + 4.860000E+004 9 HO2 17 1.101256E-003 OH+H2=HO2 + 4.860000E+004 9 HO2 18 4.543628E+002 OH+CO=HO2 + 4.860000E+004 9 HO2 19 9.223576E-003 OH+H2O2=HO2 + 4.860000E+004 9 HO2 26 3.412864E+000 OH+NO3=HO2+NO2 + 4.860000E+004 9 HO2 35 0.000000E+000 HSO3=HO2+SO3 + 4.860000E+004 9 HO2 48 1.983086E+004 HO2NO2=HO2+NO2 + 4.860000E+004 9 HO2 58 0.000000E+000 HCHO=CO+HO2+HO2 + 4.860000E+004 9 HO2 60 1.633775E+002 NO3+HCHO=HNO3+CO+HO2 + 4.860000E+004 9 HO2 61 2.725711E+000 OH+HCHO=HO2+CO + 4.860000E+004 9 HO2 64 1.568221E+002 CH2OOA=HO2+CO+OH + 4.860000E+004 9 HO2 76 6.645706E+001 ETHENO3O=NO3CH2CHO+HO2 + 4.860000E+004 9 HO2 90 3.339452E+000 HOCH2CH2O=HO2+HCHO+HCHO + 4.860000E+004 9 HO2 91 1.300249E+000 HOCH2CH2O=HO2+HOCH2CHO + 4.860000E+004 9 HO2 92 4.129168E-007 ETHGLY+OH=HOCH2CHO+HO2 + 4.860000E+004 9 HO2 94 1.673127E-001 HOCH2CHO+OH=GLYOX+HO2 + 4.860000E+004 9 HO2 96 0.000000E+000 HOCH2CHO=HO2+HCHO+HO2+CO + 4.860000E+004 9 HO2 105 6.850535E-081 HCOCH2O=HCHO+CO+HO2 + 4.860000E+004 9 HO2 106 1.700840E-003 HCOOH+OH=HO2 + 4.860000E+004 9 HO2 107 3.624699E-003 HOCH2CO3+HO2=HO2+HCHO+OH + 4.860000E+004 9 HO2 110 4.755462E-002 HOCH2CO3+NO=NO2+HO2+HCHO + 4.860000E+004 9 HO2 112 3.229740E+000 HOCH2CO3+NO3=NO2+HO2+HCHO + 4.860000E+004 9 HO2 113 1.268622E-003 HOCH2CO3=HCHO+HO2 + 4.860000E+004 9 HO2 116 0.000000E+000 GLYOX=CO+CO+HO2+HO2 + 4.860000E+004 9 HO2 125 1.258168E-006 HOCH2CO2H+OH=HCHO+HO2 + 4.860000E+004 9 HO2 127 0.000000E+000 HOCH2CO3H=HCHO+HO2+OH + 4.860000E+004 9 HO2 130 8.124684E-001 HCOCO=CO+CO+HO2 + 4.860000E+004 9 HO2 131 1.468245E+000 HCOCO=CO+CO+HO2 + 4.860000E+004 9 HO2 136 1.434278E-006 HCOCO3+HO2=HO2+CO+OH + 4.860000E+004 9 HO2 137 1.881715E-005 HCOCO3+NO=HO2+CO+NO2 + 4.860000E+004 9 HO2 138 7.103098E-001 HCOCO3+NO2=HO2+CO+NO3 + 4.860000E+004 9 HO2 139 1.277994E-003 HCOCO3+NO3=HO2+CO+NO2 + 4.860000E+004 9 HO2 140 5.019881E-007 HCOCO3=CO+HO2 + 4.860000E+004 9 HO2 142 0.000000E+000 HCOCO2H=HO2+HO2+CO + 4.860000E+004 9 HO2 143 5.900741E-009 OH+HCOCO2H=CO+HO2 + 4.860000E+004 9 HO2 144 0.000000E+000 HCOCO3H=HO2+CO+OH + 4.860000E+004 9 HO2 145 0.000000E+000 HCOCO3H=HO2+CO+OH diff --git a/tests/model_tests/spec_model_func/output/reactionRates/25200.cmp b/tests/model_tests/spec_model_func/output/reactionRates/25200.cmp new file mode 100644 index 000000000..d751380d6 --- /dev/null +++ b/tests/model_tests/spec_model_func/output/reactionRates/25200.cmp @@ -0,0 +1,147 @@ + reactionNumber reactionRate +1 7.464574E+008 +2 2.145640E+008 +3 5.705864E+001 +4 2.096212E+003 +5 1.073918E+004 +6 2.126017E+003 +7 5.296995E+006 +8 1.531787E+007 +9 6.643100E+008 +10 1.363865E+006 +11 4.759726E+002 +12 1.247764E+006 +13 3.115651E+001 +14 6.505459E+004 +15 2.034546E+006 +16 2.022386E+005 +17 2.494118E-001 +18 5.223211E+006 +19 9.369915E+000 +20 1.093098E+004 +21 5.060077E+003 +22 2.862198E+002 +23 2.150021E+002 +24 3.288220E+006 +25 3.715904E+006 +26 6.695863E+001 +27 5.529782E+006 +28 5.303916E+005 +29 3.275975E+002 +30 2.550411E+001 +31 4.479763E+004 +32 4.623432E+003 +33 0.000000E+000 +34 0.000000E+000 +35 0.000000E+000 +36 3.455209E+004 +37 1.314200E+003 +38 0.000000E+000 +39 2.264940E+007 +40 2.708812E+008 +41 8.968387E+000 +42 6.694347E+008 +43 1.535443E+004 +44 1.061188E+005 +45 2.981673E+006 +46 3.861992E+003 +47 6.380502E+004 +48 5.279616E+005 +49 3.027587E-001 +50 2.089332E+003 +51 1.005529E+005 +52 4.262013E-005 +53 3.027346E-001 +54 7.533156E-007 +55 2.699093E-008 +56 8.996975E-009 +57 8.996975E-009 +58 6.753518E+003 +59 1.031868E+004 +60 7.992121E-002 +61 8.743703E+003 +62 7.730508E+002 +63 1.044663E+003 +64 2.716124E+002 +65 1.922435E+001 +66 5.025526E+002 +67 1.000080E+005 +68 2.501073E-001 +69 9.281010E-003 +70 2.784303E-002 +71 9.281010E-003 +72 1.096745E-006 +73 4.872423E-007 +74 3.544767E-007 +75 4.140201E-002 +76 2.613245E-001 +77 3.201189E+000 +78 7.229956E-007 +79 7.123373E-003 +80 5.762332E-002 +81 7.761331E-001 +82 9.283467E-002 +83 1.020108E-002 +84 0.000000E+000 +85 2.895662E+002 +86 4.826104E+002 +87 4.068958E-001 +88 1.539879E+000 +89 1.315119E-001 +90 7.199136E+004 +91 2.803056E+004 +92 8.135805E-004 +93 6.975705E-002 +94 4.042865E+002 +95 1.617146E+003 +96 8.177318E+002 +97 2.158100E-007 +98 7.357158E-008 +99 2.010957E-007 +100 4.941893E-003 +101 2.467533E-003 +102 9.794181E-009 +103 3.921527E-009 +104 1.680655E-009 +105 5.762335E-002 +106 1.989838E+000 +107 4.879696E-002 +108 1.663533E-002 +109 4.546989E-002 +110 1.117415E+003 +111 5.579357E+002 +112 2.214570E-003 +113 8.866996E-004 +114 3.800141E-004 +115 1.638429E+001 +116 8.074367E+000 +117 2.470210E+000 +118 4.915586E-004 +119 1.417907E+001 +120 4.673018E-011 +121 2.666237E-009 +122 8.656650E-010 +123 1.061086E-007 +124 2.942735E-004 +125 1.546224E-004 +126 9.264889E-004 +127 1.764035E-004 +128 2.157296E+000 +129 5.982878E+001 +130 1.647309E+000 +131 2.976920E+000 +132 8.082856E+000 +133 1.443288E+000 +134 1.432021E-005 +135 3.914190E-005 +136 4.200595E-005 +137 9.619059E-001 +138 4.802885E-001 +139 1.906371E-006 +140 7.632987E-007 +141 3.271280E-007 +142 8.237186E-007 +143 3.952978E-007 +144 1.043129E-007 +145 3.580403E-007 +146 1.398419E-006 diff --git a/tests/model_tests/spec_model_func/output/reactionRates/27000.cmp b/tests/model_tests/spec_model_func/output/reactionRates/27000.cmp new file mode 100644 index 000000000..99399e92e --- /dev/null +++ b/tests/model_tests/spec_model_func/output/reactionRates/27000.cmp @@ -0,0 +1,147 @@ + reactionNumber reactionRate +1 7.204699E+008 +2 2.070941E+008 +3 5.534788E+001 +4 1.912298E+003 +5 9.912114E+003 +6 1.962284E+003 +7 5.185260E+006 +8 1.499475E+007 +9 6.310286E+008 +10 1.310764E+006 +11 4.252076E+002 +12 1.199213E+006 +13 3.029615E+001 +14 6.325816E+004 +15 1.991629E+006 +16 2.215678E+005 +17 1.111119E+000 +18 5.682220E+006 +19 2.363295E+001 +20 1.268479E+004 +21 6.369222E+003 +22 3.816020E+002 +23 2.866511E+002 +24 3.388006E+006 +25 3.873670E+006 +26 7.422233E+001 +27 6.034940E+006 +28 5.856478E+005 +29 3.954937E+002 +30 2.994469E+001 +31 5.479423E+004 +32 1.097701E+004 +33 0.000000E+000 +34 0.000000E+000 +35 0.000000E+000 +36 7.525232E+004 +37 1.277433E+003 +38 0.000000E+000 +39 2.217164E+007 +40 2.710187E+008 +41 2.050461E+001 +42 6.362716E+008 +43 1.556181E+004 +44 1.075466E+005 +45 3.323675E+006 +46 8.259176E+003 +47 6.201996E+004 +48 5.846925E+005 +49 2.855989E-001 +50 1.947968E+003 +51 1.016890E+005 +52 4.911132E-005 +53 2.855505E-001 +54 7.644384E-007 +55 2.901115E-008 +56 9.670383E-009 +57 9.670383E-009 +58 1.308701E+004 +59 2.007032E+004 +60 1.595827E-001 +61 1.871710E+004 +62 7.207480E+002 +63 9.739837E+002 +64 2.532358E+002 +65 2.375527E+001 +66 5.083278E+002 +67 1.011572E+005 +68 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1.378514E-002 4.384145E+003 1.590421E+001 + 3.330000E+004 4.749220E+012 6.313119E+011 5.178824E+010 6.457140E+010 1.868524E+009 4.205803E+006 1.063086E+007 5.211749E-001 1.305315E+005 1.416108E-002 4.485115E+003 1.682451E+001 + 3.420000E+004 4.745426E+012 6.322971E+011 4.999875E+010 6.413339E+010 1.813885E+009 3.837873E+006 1.004546E+007 5.384567E-001 1.197738E+005 1.430585E-002 4.480285E+003 1.707751E+001 + 3.510000E+004 4.742002E+012 6.330316E+011 4.823080E+010 6.391589E+010 1.765738E+009 3.434940E+006 9.319328E+006 5.602286E-001 1.081854E+005 1.422003E-002 4.374573E+003 1.665086E+001 + 3.600000E+004 4.738974E+012 6.334729E+011 4.646649E+010 6.394234E+010 1.724018E+009 3.007413E+006 8.469928E+006 5.878570E-001 9.600101E+004 1.390953E-002 4.178165E+003 1.559465E+001 + 3.690000E+004 4.736361E+012 6.335784E+011 4.467841E+010 6.424102E+010 1.688554E+009 2.567240E+006 7.522152E+006 6.233660E-001 8.348423E+004 1.338653E-002 3.905991E+003 1.401473E+001 + 3.780000E+004 4.734165E+012 6.333028E+011 4.282705E+010 6.484739E+010 1.659073E+009 2.127500E+006 6.507484E+006 6.698555E-001 7.092286E+004 1.267058E-002 3.576873E+003 1.205928E+001 + 3.870000E+004 4.732380E+012 6.325959E+011 4.085686E+010 6.580784E+010 1.635199E+009 1.701866E+006 5.462519E+006 7.322872E-001 5.862190E+004 1.178976E-002 3.212388E+003 9.900338E+000 + 3.960000E+004 4.730984E+012 6.313959E+011 3.869029E+010 6.718552E+010 1.616462E+009 1.303930E+006 4.426893E+006 8.190728E-001 4.689441E+004 1.078196E-002 2.835582E+003 7.713170E+000 + 4.050000E+004 4.729944E+012 6.296199E+011 3.621828E+010 6.906978E+010 1.602299E+009 9.464362E+005 3.440826E+006 9.455781E-001 3.605019E+004 9.696266E-003 2.469654E+003 5.656480E+000 + 4.140000E+004 4.729217E+012 6.271471E+011 3.328489E+010 7.159162E+010 1.592066E+009 6.404176E+005 2.542489E+006 1.142778E+000 2.638217E+004 8.594791E-003 2.136801E+003 3.856507E+000 + 4.230000E+004 4.728748E+012 6.237923E+011 2.966302E+010 7.494822E+010 1.585053E+009 3.942002E+005 1.765376E+006 1.482114E+000 1.814990E+004 7.554857E-003 1.857442E+003 2.396899E+000 + 4.320000E+004 4.728478E+012 6.192683E+011 2.502019E+010 7.943745E+010 1.580511E+009 2.121955E+005 1.135651E+006 2.163788E+000 1.155817E+004 6.671593E-003 1.650040E+003 1.314810E+000 + 4.410000E+004 4.728347E+012 6.131640E+011 1.890162E+010 8.547464E+010 1.577694E+009 9.331138E+004 6.690434E+005 3.950797E+000 6.724972E+003 6.059757E-003 1.531717E+003 6.015910E-001 + 4.500000E+004 4.728297E+012 6.051496E+011 1.094758E+010 9.336946E+010 1.575919E+009 2.906148E+004 3.660405E+005 1.193980E+001 3.623624E+003 5.848019E-003 1.517984E+003 2.058421E-001 + 4.590000E+004 4.728286E+012 5.966022E+011 2.581539E+009 1.015525E+011 1.574651E+009 3.729359E+003 2.073880E+005 1.507696E+002 1.998742E+003 6.189569E-003 1.603034E+003 5.657250E-002 + 4.680000E+004 4.728286E+012 5.930215E+011 4.414287E+006 1.024178E+011 1.573529E+009 2.258981E+002 1.960032E+005 1.025227E+004 2.468589E+003 9.214619E-003 1.729437E+003 2.450336E-001 + 4.770000E+004 4.728286E+012 5.914391E+011 9.870461E+005 9.946339E+010 1.572385E+009 3.198740E+002 2.322064E+005 4.697112E+004 4.026377E+003 2.240698E-002 1.872777E+003 5.465698E-001 + 4.860000E+004 4.728287E+012 5.899067E+011 1.153009E+006 9.658467E+010 1.571212E+009 4.205178E+002 2.692791E+005 8.094325E+004 4.943396E+003 7.728065E-002 2.011169E+003 7.854359E-001 + 4.950000E+004 4.728287E+012 5.884212E+011 1.224455E+006 9.378848E+010 1.570018E+009 5.201738E+002 3.051487E+005 1.005288E+005 5.461885E+003 2.057345E-001 2.146950E+003 9.767848E-001 + 5.040000E+004 4.728288E+012 5.869815E+011 1.251606E+006 9.107410E+010 1.568811E+009 6.126092E+002 3.369418E+005 1.091143E+005 5.838641E+003 4.192602E-001 2.281948E+003 1.132266E+000 diff --git a/tests/model_tests/spec_model_func/spec_model_func.fac b/tests/model_tests/spec_model_func/spec_model_func.fac new file mode 100644 index 000000000..36ca81ca4 --- /dev/null +++ b/tests/model_tests/spec_model_func/spec_model_func.fac @@ -0,0 +1,364 @@ +****************************************************************** +* +* Citation +* +* A citation to +* the MCM website and the relevant mechanism construction +* protocols should be given in any publication using +* information obtained from this source, using the following +* or comparable wording: +* +* The chemical mechanistic +* information was taken from the Master Chemical Mechanism, +* MCM v3.3.1 (reference), via website: +* http://mcm.york.ac.uk/ +* +* The reference should be: +* +* +* For non-aromatic schemes: +* +* Jenkin et al., +* Atmos. Environ., 31, 81, 1997 +* [doi:10.1016/S1352-2310(96)00105-7] +* Saunders et +* al., Atmos. Chem. Phys., 3, 161, 2003 +* [doi:10.5194/acp-3-161-2003] +* +* For aromatic +* schemes: +* +* Jenkin et al., Atmos. Chem. Phys., +* 3, 181, 2003 [doi:10.5194/acp-3-181-2003] +* Bloss et +* al., Atmos. Chem. Phys., 5, 641, 2005 +* [doi:10.5194/acp-5-641-2005] +* +* For the +* β-caryophyllene scheme: +* +* Jenkin et al., +* Atmos. Chem. Phys., 12, 5275, 2012 +* [doi:10.5194/acp-12-5275-2012] +* +* For the isoprene +* scheme: +* +* Jenkin et al., Atmos. Chem. Phys., +* 15, 11433-11459, 2015 [doi:10.5194/acp-15-11433-2015] +* +* * +* +* +* +****************************************************************** +* C2H4 ; +*; +* Variable definitions. All species are listed here.; +*; +VARIABLE + HCHO HCOCO ETHENO3O NO3CH2CO3 O1D NO3CH2CO3H O3 HO2NO2 NO3 N2O5 +H2O2 NO NA HCOCO3H ETHO2HNO3 PHAN NO3CH2CHO HO2 NO2 HOCH2CHO HSO3 +NO3CH2CO2H CO HOCH2CO3 HOCH2CH2O2 O HNO3 SO3 SO2 CH2OOA HCOCO3 +HOCH2CH2O C2H4 HOCH2CO2H ETHOHNO3 NO3CH2PAN HOCH2CO3H OH H2 HONO +ETHGLY CH2OO HCOOH HYETHO2H HCOCO2H GLYOX ETHENO3O2 HCOCH2O SA ; +****************************************************** ; +*; +* Generic Rate Coefficients ; +*; +KRO2NO = 2.7D-12*EXP(360/TEMP) ; +KRO2HO2 = 2.91D-13*EXP(1300/TEMP) ; +KAPHO2 = 5.2D-13*EXP(980/TEMP) ; +KAPNO = 7.5D-12*EXP(290/TEMP) ; +KRO2NO3 = 2.3D-12 ; +KNO3AL = 1.44D-12*EXP(-1862/TEMP) ; +KDEC = 1.00D+06 ; +KROPRIM = 2.50D-14*EXP(-300/TEMP) ; +KROSEC = 2.50D-14*EXP(-300/TEMP) ; +KCH3O2 = 1.03D-13*EXP(365/TEMP) ; +K298CH3O2 = 3.5D-13 ; +K14ISOM1 = 3.00D7*EXP(-5300/TEMP) ; +*; +* Complex reactions ; +*; +KD0 = 1.10D-05*M*EXP(-10100/TEMP) ; +KDI = 1.90D17*EXP(-14100/TEMP) ; +KRD = KD0/KDI ; +FCD = 0.30 ; +NCD = 0.75-1.27*(LOG10(FCD)) ; +FD = 10@(LOG10(FCD)/(1+(LOG10(KRD)/NCD)**2)) ; +KBPAN = (KD0*KDI)*FD/(KD0+KDI) ; +KC0 = 3.28D-28*M*(TEMP/300)@-6.87 ; +KCI = 1.125D-11*(TEMP/300)@-1.105 ; +KRC = KC0/KCI ; +FCC = 0.30 ; +NC = 0.75-1.27*(LOG10(FCC)) ; +FC = 10@(LOG10(FCC)/(1+(LOG10(KRC)/NC)**2)) ; +KFPAN = (KC0*KCI)*FC/(KC0+KCI) ; +K10 = 1.0D-31*M*(TEMP/300)@-1.6 ; +K1I = 5.0D-11*(TEMP/300)@-0.3 ; +KR1 = K10/K1I ; +FC1 = 0.85 ; +NC1 = 0.75-1.27*(LOG10(FC1)) ; +F1 = 10@(LOG10(FC1)/(1+(LOG10(KR1)/NC1)**2)) ; +KMT01 = (K10*K1I)*F1/(K10+K1I) ; +K20 = 1.3D-31*M*(TEMP/300)@-1.5 ; +K2I = 2.3D-11*(TEMP/300)@0.24 ; +KR2 = K20/K2I ; +FC2 = 0.6 ; +NC2 = 0.75-1.27*(LOG10(FC2)) ; +F2 = 10@(LOG10(FC2)/(1+(LOG10(KR2)/NC2)**2)) ; +KMT02 = (K20*K2I)*F2/(K20+K2I) ; +K30 = 3.6D-30*M*(TEMP/300)@-4.1 ; +K3I = 1.9D-12*(TEMP/300)@0.2 ; +KR3 = K30/K3I ; +FC3 = 0.35 ; +NC3 = 0.75-1.27*(LOG10(FC3)) ; +F3 = 10@(LOG10(FC3)/(1+(LOG10(KR3)/NC3)**2)) ; +KMT03 = (K30*K3I)*F3/(K30+K3I) ; +K40 = 1.3D-3*M*(TEMP/300)@-3.5*EXP(-11000/TEMP) ; +K4I = 9.7D+14*(TEMP/300)@0.1*EXP(-11080/TEMP) ; +KR4 = K40/K4I ; +FC4 = 0.35 ; +NC4 = 0.75-1.27*(LOG10(FC4)) ; +F4 = 10@(LOG10(FC4)/(1+(LOG10(KR4)/NC4)**2)) ; +KMT04 = (K40*K4I)*F4/(K40+K4I) ; +KMT05 = 1.44D-13*(1+(M/4.2D+19)) ; +KMT06 = 1 + (1.40D-21*EXP(2200/TEMP)*H2O) ; +K70 = 7.4D-31*M*(TEMP/300)@-2.4 ; +K7I = 3.3D-11*(TEMP/300)@-0.3 ; +KR7 = K70/K7I ; +FC7 = 0.81 ; +NC7 = 0.75-1.27*(LOG10(FC7)) ; +F7 = 10@(LOG10(FC7)/(1+(LOG10(KR7)/NC7)**2)) ; +KMT07 = (K70*K7I)*F7/(K70+K7I) ; +K80 = 3.2D-30*M*(TEMP/300)@-4.5 ; +K8I = 3.0D-11 ; +KR8 = K80/K8I ; +FC8 = 0.41 ; +NC8 = 0.75-1.27*(LOG10(FC8)) ; +F8 = 10@(LOG10(FC8)/(1+(LOG10(KR8)/NC8)**2)) ; +KMT08 = (K80*K8I)*F8/(K80+K8I) ; +K90 = 1.4D-31*M*(TEMP/300)@-3.1 ; +K9I = 4.0D-12 ; +KR9 = K90/K9I ; +FC9 = 0.4 ; +NC9 = 0.75-1.27*(LOG10(FC9)) ; +F9 = 10@(LOG10(FC9)/(1+(LOG10(KR9)/NC9)**2)) ; +KMT09 = (K90*K9I)*F9/(K90+K9I) ; +K100 = 4.10D-05*M*EXP(-10650/TEMP) ; +K10I = 6.0D+15*EXP(-11170/TEMP) ; +KR10 = K100/K10I ; +FC10 = 0.4 ; +NC10 = 0.75-1.27*(LOG10(FC10)) ; +F10 = 10@(LOG10(FC10)/(1+(LOG10(KR10)/NC10)**2)) ; +KMT10 = (K100*K10I)*F10/(K100+K10I) ; +K1 = 2.40D-14*EXP(460/TEMP) ; +K3 = 6.50D-34*EXP(1335/TEMP) ; +K4 = 2.70D-17*EXP(2199/TEMP) ; +K2 = (K3*M)/(1+(K3*M/K4)) ; +KMT11 = K1 + K2 ; +K120 = 2.5D-31*M*(TEMP/300)@-2.6 ; +K12I = 2.0D-12 ; +KR12 = K120/K12I ; +FC12 = 0.53 ; +NC12 = 0.75-1.27*(LOG10(FC12)) ; +F12 = 10@(LOG10(FC12)/(1.0+(LOG10(KR12)/NC12)**2)) ; +KMT12 = (K120*K12I*F12)/(K120+K12I) ; +K130 = 2.5D-30*M*(TEMP/300)@-5.5 ; +K13I = 1.8D-11 ; +KR13 = K130/K13I ; +FC13 = 0.36 ; +NC13 = 0.75-1.27*(LOG10(FC13)) ; +F13 = 10@(LOG10(FC13)/(1+(LOG10(KR13)/NC13)**2)) ; +KMT13 = (K130*K13I)*F13/(K130+K13I) ; +K140 = 9.0D-5*EXP(-9690/TEMP)*M ; +K14I = 1.1D+16*EXP(-10560/TEMP) ; +KR14 = K140/K14I ; +FC14 = 0.36 ; +NC14 = 0.75-1.27*(LOG10(FC14)) ; +F14 = 10@(LOG10(FC14)/(1+(LOG10(KR14)/NC14)**2)) ; +KMT14 = (K140*K14I)*F14/(K140+K14I) ; +K160 = 8D-27*M*(TEMP/300)@-3.5 ; +K16I = 3.0D-11*(TEMP/300)@-1 ; +KR16 = K160/K16I ; +FC16 = 0.5 ; +NC16 = 0.75-1.27*(LOG10(FC16)) ; +F16 = 10@(LOG10(FC16)/(1+(LOG10(KR16)/NC16)**2)) ; +KMT16 = (K160*K16I)*F16/(K160+K16I) ; +K170 = 5.0D-30*M*(TEMP/300)@-1.5 ; +K17I = 1.0D-12 ; +KR17 = K170/K17I ; +FC17 = 0.17*EXP(-51/TEMP)+EXP(-TEMP/204) ; +NC17 = 0.75-1.27*(LOG10(FC17)) ; +F17 = 10@(LOG10(FC17)/(1.0+(LOG10(KR17)/NC17)**2)) ; +KMT17 = (K170*K17I*F17)/(K170+K17I) ; +KMT18 = 9.5D-39*O2*EXP(5270/TEMP)/(1+7.5D-29*O2*EXP(5610/TEMP)) ; +KPPN0 = 1.7D-03*EXP(-11280/TEMP)*M ; +KPPNI = 8.3D+16*EXP(-13940/TEMP) ; +KRPPN = KPPN0/KPPNI ; +FCPPN = 0.36 ; +NCPPN = 0.75-1.27*(LOG10(FCPPN)) ; +FPPN = 10@(LOG10(FCPPN)/(1+(LOG10(KRPPN)/NCPPN)**2)) ; +KBPPN = (KPPN0*KPPNI)*FPPN/(KPPN0+KPPNI) ; +KRO2 = 1.26D-12*RO2 ; +****************************************************** ; +*; +* Peroxy radicals. ; +*; +* WARNING: The following species do not have SMILES strings in the database. ; +* If any of these are peroxy radicals the RO2 sum will be wrong!!! ; +****************************************************** ; +* ; +RO2 = ETHENO3O2 + HOCH2CH2O2 + NO3CH2CO3 + HOCH2CO3 + HCOCO3 ; +*; +* Reaction definitions. ; +*; +% 5.6D-34*N2*(TEMP/300)@-2.6*O2 : O = O3 ; +% 6.0D-34*O2*(TEMP/300)@-2.6*O2 : O = O3 ; +% 8.0D-12*EXP(-2060/TEMP) : O + O3 = ; +% KMT01 : O + NO = NO2 ; +% 5.5D-12*EXP(188/TEMP) : O + NO2 = NO ; +% KMT02 : O + NO2 = NO3 ; +% 3.2D-11*EXP(67/TEMP)*O2 : O1D = O ; +% 2.0D-11*EXP(130/TEMP)*N2 : O1D = O ; +% 1.4D-12*EXP(-1310/TEMP) : NO + O3 = NO2 ; +% 1.4D-13*EXP(-2470/TEMP) : NO2 + O3 = NO3 ; +% 3.3D-39*EXP(530/TEMP)*O2 : NO + NO = NO2 + NO2 ; +% 1.8D-11*EXP(110/TEMP) : NO + NO3 = NO2 + NO2 ; +% 4.50D-14*EXP(-1260/TEMP) : NO2 + NO3 = NO + NO2 ; +% KMT03 : NO2 + NO3 = N2O5 ; +% 2.14D-10*H2O : O1D = OH + OH ; +% 1.70D-12*EXP(-940/TEMP) : OH + O3 = HO2 ; +% 7.7D-12*EXP(-2100/TEMP) : OH + H2 = HO2 ; +% KMT05 : OH + CO = HO2 ; +% 2.9D-12*EXP(-160/TEMP) : OH + H2O2 = HO2 ; +% 2.03D-16*(TEMP/300)@4.57*EXP(693/TEMP) : HO2 + O3 = OH ; +% 4.8D-11*EXP(250/TEMP) : OH + HO2 = ; +% 2.20D-13*KMT06*EXP(600/TEMP) : HO2 + HO2 = H2O2 ; +% 1.90D-33*M*KMT06*EXP(980/TEMP) : HO2 + HO2 = H2O2 ; +% KMT07 : OH + NO = HONO ; +% KMT08 : OH + NO2 = HNO3 ; +% 2.0D-11 : OH + NO3 = HO2 + NO2 ; +% 3.45D-12*EXP(270/TEMP) : HO2 + NO = OH + NO2 ; +% KMT09 : HO2 + NO2 = HO2NO2 ; +% 3.2D-13*EXP(690/TEMP)*1.0 : OH + HO2NO2 = NO2 ; +% 4.0D-12 : HO2 + NO3 = OH + NO2 ; +% 2.5D-12*EXP(260/TEMP) : OH + HONO = NO2 ; +% KMT11 : OH + HNO3 = NO3 ; +% 4.0D-32*EXP(-1000/TEMP)*M : O + SO2 = SO3 ; +% KMT12 : OH + SO2 = HSO3 ; +% 1.3D-12*EXP(-330/TEMP)*O2 : HSO3 = HO2 + SO3 ; +% 6.00D-06 : HNO3 = NA ; +% 4.00D-04 : N2O5 = NA + NA ; +% 1.20D-15*H2O : SO3 = SA ; +% J<1> : O3 = O1D ; +% J<2> : O3 = O ; +% J<3> : H2O2 = OH + OH ; +% J<4> : NO2 = NO + O ; +% J<5> : NO3 = NO ; +% J<6> : NO3 = NO2 + O ; +% J<7> : HONO = OH + NO ; +% J<8> : HNO3 = OH + NO2 ; +% KMT04 : N2O5 = NO2 + NO3 ; +% KMT10 : HO2NO2 = HO2 + NO2 ; +% 3.3D-12*EXP(-2880/TEMP) : C2H4 + NO3 = ETHENO3O2 ; +% 9.1D-15*EXP(-2580/TEMP) : C2H4 + O3 = HCHO + CH2OOA ; +% calcKMT15(TEMP, M) : C2H4 + OH = HOCH2CH2O2 ; +% KRO2HO2*0.387 : ETHENO3O2 + HO2 = ETHO2HNO3 ; +% KRO2NO : ETHENO3O2 + NO = ETHENO3O + NO2 ; +% KRO2NO3 : ETHENO3O2 + NO3 = ETHENO3O + NO2 ; +% 6.00D-13*0.6*RO2 : ETHENO3O2 = ETHENO3O ; +% 6.00D-13*0.2*RO2 : ETHENO3O2 = ETHOHNO3 ; +% 6.00D-13*0.2*RO2 : ETHENO3O2 = NO3CH2CHO ; +% J<11> : HCHO = CO + HO2 + HO2 ; +% J<12> : HCHO = H2 + CO ; +% 5.5D-16 : NO3 + HCHO = HNO3 + CO + HO2 ; +% 5.4D-12*EXP(135/TEMP) : OH + HCHO = HO2 + CO ; +% KDEC*0.37 : CH2OOA = CH2OO ; +% KDEC*0.50 : CH2OOA = CO ; +% KDEC*0.13 : CH2OOA = HO2 + CO + OH ; +% 1.53D-13*EXP(1300/TEMP) : HOCH2CH2O2 + HO2 = HYETHO2H ; +% KRO2NO*0.005 : HOCH2CH2O2 + NO = ETHOHNO3 ; +% KRO2NO*0.995 : HOCH2CH2O2 + NO = HOCH2CH2O + NO2 ; +% KRO2NO3 : HOCH2CH2O2 + NO3 = HOCH2CH2O + NO2 ; +% 2*(KCH3O2*7.8D-14*EXP(1000/TEMP))@0.5*RO2*0.2 : HOCH2CH2O2 = ETHGLY ; +% 2*(KCH3O2*7.8D-14*EXP(1000/TEMP))@0.5*RO2*0.6 : HOCH2CH2O2 = HOCH2CH2O ; +% 2*(KCH3O2*7.8D-14*EXP(1000/TEMP))@0.5*RO2*0.2 : HOCH2CH2O2 = HOCH2CHO ; +% 1.90D-12*EXP(190/TEMP) : ETHO2HNO3 + OH = ETHENO3O2 ; +% 1.62D-12 : ETHO2HNO3 + OH = NO3CH2CHO + OH ; +% J<41> : ETHO2HNO3 = ETHENO3O + OH ; +% 7.00D+03 : ETHENO3O = NO2 + HCHO + HCHO ; +% KROPRIM*O2 : ETHENO3O = NO3CH2CHO + HO2 ; +% 8.40D-13 : ETHOHNO3 + OH = HOCH2CHO + NO2 ; +% KNO3AL : NO3CH2CHO + NO3 = NO3CH2CO3 + HNO3 ; +% 3.40D-12 : NO3CH2CHO + OH = NO3CH2CO3 ; +% J<56>*4.3 : NO3CH2CHO = NO2 + HCOCH2O ; +% 1.20D-15 : CH2OO + CO = HCHO ; +% 1.00D-14 : CH2OO + NO = HCHO + NO2 ; +% 1.00D-15 : CH2OO + NO2 = HCHO + NO3 ; +% 7.00D-14 : CH2OO + SO2 = HCHO + SO3 ; +% 6.00D-18*H2O : CH2OO = HCHO + H2O2 ; +% 1.00D-17*H2O : CH2OO = HCOOH ; +% 1.90D-12*EXP(190/TEMP) : HYETHO2H + OH = HOCH2CH2O2 ; +% 1.38D-11 : HYETHO2H + OH = HOCH2CHO + OH ; +% J<41> : HYETHO2H = HOCH2CH2O + OH ; +% 9.50D+13*EXP(-5988/TEMP) : HOCH2CH2O = HO2 + HCHO + HCHO ; +% KROPRIM*O2 : HOCH2CH2O = HO2 + HOCH2CHO ; +% 1.45D-11 : ETHGLY + OH = HOCH2CHO + HO2 ; +% KNO3AL : HOCH2CHO + NO3 = HOCH2CO3 + HNO3 ; +% 1.00D-11*0.200 : HOCH2CHO + OH = GLYOX + HO2 ; +% 1.00D-11*0.800 : HOCH2CHO + OH = HOCH2CO3 ; +% J<15> : HOCH2CHO = HO2 + HCHO + HO2 + CO ; +% KAPHO2*0.44 : NO3CH2CO3 + HO2 = HCHO + NO2 + OH ; +% KAPHO2*0.15 : NO3CH2CO3 + HO2 = NO3CH2CO2H + O3 ; +% KAPHO2*0.41 : NO3CH2CO3 + HO2 = NO3CH2CO3H ; +% KAPNO : NO3CH2CO3 + NO = HCHO + NO2 + NO2 ; +% KFPAN : NO3CH2CO3 + NO2 = NO3CH2PAN ; +% KRO2NO3*1.74 : NO3CH2CO3 + NO3 = HCHO + NO2 + NO2 ; +% 1.00D-11*0.7*RO2 : NO3CH2CO3 = HCHO + NO2 ; +% 1.00D-11*0.3*RO2 : NO3CH2CO3 = NO3CH2CO2H ; +% KDEC : HCOCH2O = HCHO + CO + HO2 ; +% 4.5D-13 : HCOOH + OH = HO2 ; +% KAPHO2*0.44 : HOCH2CO3 + HO2 = HO2 + HCHO + OH ; +% KAPHO2*0.15 : HOCH2CO3 + HO2 = HOCH2CO2H + O3 ; +% KAPHO2*0.41 : HOCH2CO3 + HO2 = HOCH2CO3H ; +% KAPNO : HOCH2CO3 + NO = NO2 + HO2 + HCHO ; +% KFPAN : HOCH2CO3 + NO2 = PHAN ; +% KRO2NO3*1.74 : HOCH2CO3 + NO3 = NO2 + HO2 + HCHO ; +% 1.00D-11*0.7*RO2 : HOCH2CO3 = HCHO + HO2 ; +% 1.00D-11*0.3*RO2 : HOCH2CO3 = HOCH2CO2H ; +% J<31> : GLYOX = CO + CO + H2 ; +% J<33> : GLYOX = CO + CO + HO2 + HO2 ; +% J<32> : GLYOX = HCHO + CO ; +% KNO3AL : NO3 + GLYOX = HCOCO + HNO3 ; +% 3.1D-12*EXP(340/TEMP) : OH + GLYOX = HCOCO ; +% 1.68D-13 : NO3CH2CO2H + OH = HCHO + NO2 ; +% 3.63D-12 : NO3CH2CO3H + OH = NO3CH2CO3 ; +% J<41> : NO3CH2CO3H = HCHO + NO2 + OH ; +% 1.12D-14 : NO3CH2PAN + OH = HCHO + CO + NO2 + NO2 ; +% KBPAN : NO3CH2PAN = NO3CH2CO3 + NO2 ; +% 2.73D-12 : HOCH2CO2H + OH = HCHO + HO2 ; +% 6.19D-12 : HOCH2CO3H + OH = HOCH2CO3 ; +% J<41> : HOCH2CO3H = HCHO + HO2 + OH ; +% 1.12D-12 : PHAN + OH = HCHO + CO + NO2 ; +% KBPAN : PHAN = HOCH2CO3 + NO2 ; +% 7.00D11*EXP(-3160/TEMP) : HCOCO = CO + CO + HO2 ; +% 5.00D-12*O2 : HCOCO = CO + CO + HO2 ; +% 5.00D-12*O2*3.2*(1-EXP(-550/TEMP)) : HCOCO = CO + OH ; +% 5.00D-12*O2*3.2*EXP(-550/TEMP) : HCOCO = HCOCO3 ; +% KAPHO2*0.15 : HCOCO3 + HO2 = HCOCO2H + O3 ; +% KAPHO2*0.41 : HCOCO3 + HO2 = HCOCO3H ; +% KAPHO2*0.44 : HCOCO3 + HO2 = HO2 + CO + OH ; +% KAPNO : HCOCO3 + NO = HO2 + CO + NO2 ; +% KFPAN : HCOCO3 + NO2 = HO2 + CO + NO3 ; +% KRO2NO3*1.74 : HCOCO3 + NO3 = HO2 + CO + NO2 ; +% 1.00D-11*0.7*RO2 : HCOCO3 = CO + HO2 ; +% 1.00D-11*0.3*RO2 : HCOCO3 = HCOCO2H ; +% J<34> : HCOCO2H = HO2 + HO2 + CO ; +% 1.23D-11 : OH + HCOCO2H = CO + HO2 ; +% J<41> : HCOCO3H = HO2 + CO + OH ; +% J<15> : HCOCO3H = HO2 + CO + OH ; +% 1.58D-11 : OH + HCOCO3H = HCOCO3 ; +*; +* End of Subset. No. of Species = 50, No. of Reactions = 146 ; diff --git a/tests/model_tests/spec_model_func/spec_model_func.out.cmp b/tests/model_tests/spec_model_func/spec_model_func.out.cmp new file mode 100644 index 000000000..698a53efd --- /dev/null +++ b/tests/model_tests/spec_model_func/spec_model_func.out.cmp @@ -0,0 +1,211 @@ +AtChem2 v1.3-dev + +------------- + Directories +------------- + Model directory is: model + Output directory is: tests/model_tests/spec_model_func/output + Reaction Rates directory is: tests/model_tests/spec_model_func/output/reactionRates + Configuration directory is: tests/model_tests/spec_model_func/configuration + Constraints directory is: tests/model_tests/spec_model_func/constraints + Environment Constraints directory is: tests/model_tests/spec_model_func/constraints/environment + Photolysis Constraints directory is: tests/model_tests/spec_model_func/constraints/photolysis + Species Constraints directory is: tests/model_tests/spec_model_func/constraints/species + MCM directory is: mcm + Shared library is: tests/model_tests/spec_model_func/configuration/mechanism.so + +----------------------- + Species and reactions +----------------------- + Number of Species = 49 + Number of Reactions = 146 + + Size of lhs = 231 + Size of rhs = 256 + + Reading reactants (lhs) from mechanism.reac... + Reading products (rhs) from mechanism.prod... + Finished reading lhs and rhs data. + + Reading species names from mechanism.species... + Finished reading species names. + + Reading initial concentrations... + 1 CO 4.800E+12 + ... + 5 C2H4 2.760E+09 + Finished reading initial concentrations. + +---------------------------------------- + Species requiring detailed rate output +---------------------------------------- + Reading which species require detailed rate output... + 1 OH + 2 HO2 + Finished reading which species require detailed rate output. + Species requiring detailed rate output (number of species found): 2 + + Reading ro2 numbers from mechanism.ro2... + Finished reading ro2 numbers. + Reading solver parameters from file... + ------------------ + Solver parameters: + ------------------ + atol: 1.000E-03 + rtol: 1.000E-04 + deltaMain: 1.000E-04 + lookBack: 100 + maxStep: 1.000E+02 + preconBandUpper: 750 + preconBandLower: 750 + solverType: SPGMR + Banded Preconditioner + ------------------ + + Finished reading solver parameters from file. + + Reading model parameters from file... + ----------------- + Model parameters: + ----------------- + number of steps: 30 + step size: 0.900E+03 + species interpolation method: piecewise linear + conditions interpolation method: piecewise linear + rates output step size, ROPA/RODA: 3600 + model start time: 23400 + jacobian output step size: 0 + latitude: -0.733E+01 + longitude: -0.724E+02 + reaction rates output step size: 1800 + day/month/year: 9/11/2008 + ----------------- + + Finished reading model parameters from file. + +--------------------- + Species of Interest +--------------------- + Reading concentration output from file... + Finished reading concentration output from file. + Output required for concentration of 12 species: + 1 CO + ... + 12 HCOCO3 + +------------ + Photolysis +------------ + Reading photolysis numbers from file... + 1 + ... + 61 + Finished reading photolysis numbers. + Number of photolysis numbers: 35 + Looking for photolysis constants file... + Checking that photolysis constants exist in file... + Photolysis constants file is empty. + No photolysis constants applied, so trying constrained photolysis rates file... + Looking for photolysis constraints file... + Checking that photolysis constraints exist in file... + Photolysis constraint file is empty, so all photolysis rates will be calculated. + Reading all photolysis rates from file... + 1 6.073E-05 1.743E+00 4.740E-01 J1 1.000E+00 + ... + 61 7.537E-04 4.990E-01 2.660E-01 J61 1.000E+00 + Finished reading all photolysis rates. + Number of all photolysis rates: 35 + + +----------------------- + Environment variables +----------------------- + Reading environment variables... + Number of environment variables: 11 + 1 TEMP 291.45 + 2 PRESS 950.2 + 3 RH 67.4 + 4 H2O CALC + 5 DEC CALC + 6 BLHEIGHT NOTUSED + 7 DILUTE NOTUSED + 8 JFAC NOTUSED + 9 ROOF OPEN + 10 ASA NOTUSED + Finished reading environment variables. + + Checking for constrained environment variables... + Finished checking for constrained environment variables. + + +------------- + Constraints +------------- + Counting the variable-concentration species to be constrained (in file speciesConstrained.config)... + Finished counting the names of variable-concentration constrained species. + Number of names of variable-concentration constrained species: 0 + Counting the fixed-concentration species to be constrained (in file speciesConstant.config)... + Finished counting the names of fixed-concentration constrained species. + Number of names of fixed-concentration constrained species: 0 + Setting size of constraint arrays, n = 0 + Skipped reading the names of variable-concentration constrained species + Reading concentration data for variable-concentration constrained species... + Reading in the names and concentration of the fixed constrained species (in file speciesConstant.config)... + Finished reading in the names and concentration of fixed-concentration species. + Finished reading constrained species. + Initialising concentrations of constrained species... + Finished initialising concentrations of constrained species. + +--------------- + Problem stats +--------------- + neq = 49 + numberOfConstrainedSpecies = 0 + t0 = 2.340E+04 + + setting maxnumsteps ier = 0 + setting maxstep ier = 0 + +----------- + Model run +----------- + time = 24300 + time = 25200 + time = 26100 + time = 27000 + time = 27900 + time = 28800 + time = 29700 + time = 30600 + time = 31500 + time = 32400 + time = 33300 + time = 34200 + time = 35100 + time = 36000 + time = 36900 + time = 37800 + time = 38700 + time = 39600 + time = 40500 + time = 41400 + time = 42300 + time = 43200 + time = 44100 + time = 45000 + time = 45900 + time = 46800 + time = 47700 + time = 48600 + time = 49500 + time = 50400 + +------------------ + Final statistics +------------------ + No. steps = 503 No. f-s = 619 No. J-s = 970 No. LU-s = 108 + No. nonlinear iterations = 618 + No. nonlinear convergence failures = 0 + No. error test failures = 30 + + Runtime = 0 + Deallocating memory. From 6612b5444b0fd8ce7c7ea862b6b337a00fc9cd60 Mon Sep 17 00:00:00 2001 From: "Alfred.Mayhew" Date: Thu, 4 Jan 2024 14:30:45 -0700 Subject: [PATCH 5/8] Updated test to use the correct .cmp files and allow the test to pass --- .../output/environmentVariables.output.cmp | 6 +- .../output/finalModelState.output.cmp | 90 +++--- .../output/lossRates.output.cmp | 246 +++++++-------- .../output/mainSolverParameters.output.cmp | 14 +- .../output/photolysisRates.output.cmp | 36 +-- .../photolysisRatesParameters.output.cmp | 24 +- .../output/productionRates.output.cmp | 286 +++++++++--------- .../output/reactionRates/25200.cmp | 128 ++++---- .../output/reactionRates/27000.cmp | 68 ++--- .../output/reactionRates/28800.cmp | 56 ++-- .../output/reactionRates/30600.cmp | 56 ++-- .../output/reactionRates/32400.cmp | 54 ++-- .../output/reactionRates/34200.cmp | 30 +- .../output/reactionRates/36000.cmp | 22 +- .../output/reactionRates/37800.cmp | 52 ++-- .../output/reactionRates/39600.cmp | 64 ++-- .../output/reactionRates/41400.cmp | 70 ++--- .../output/reactionRates/43200.cmp | 84 ++--- .../output/reactionRates/45000.cmp | 156 +++++----- .../output/reactionRates/46800.cmp | 116 +++---- .../output/reactionRates/48600.cmp | 238 +++++++-------- .../output/reactionRates/50400.cmp | 238 +++++++-------- .../output/speciesConcentrations.output.cmp | 42 +-- .../spec_model_func/spec_model_func.out.cmp | 6 +- 24 files changed, 1091 insertions(+), 1091 deletions(-) diff --git a/tests/model_tests/spec_model_func/output/environmentVariables.output.cmp b/tests/model_tests/spec_model_func/output/environmentVariables.output.cmp index 40e8f7972..ac4e0d9c3 100644 --- a/tests/model_tests/spec_model_func/output/environmentVariables.output.cmp +++ b/tests/model_tests/spec_model_func/output/environmentVariables.output.cmp @@ -13,7 +13,7 @@ 3.420000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 1.242717E+005 3.510000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 1.125772E+005 3.600000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 1.001954E+005 - 3.690000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 8.740487E+004 + 3.690000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 8.740486E+004 3.780000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 7.451247E+004 3.870000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 6.184493E+004 3.960000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 4.973854E+004 @@ -25,7 +25,7 @@ 4.500000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 5.153759E+003 4.590000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 3.752608E+003 4.680000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 1.445055E+004 - 4.770000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 5.287084E+004 - 4.860000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 8.789867E+004 + 4.770000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 5.287085E+004 + 4.860000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 8.789868E+004 4.950000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 1.081388E+005 5.040000E+004 2.361390E+019 2.914500E+002 9.502000E+002 6.740000E+001 3.575722E+017 -2.913681E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 -1.000000E+000 1.172364E+005 diff --git a/tests/model_tests/spec_model_func/output/finalModelState.output.cmp b/tests/model_tests/spec_model_func/output/finalModelState.output.cmp index 37cc3991a..a0ea17867 100644 --- a/tests/model_tests/spec_model_func/output/finalModelState.output.cmp +++ b/tests/model_tests/spec_model_func/output/finalModelState.output.cmp @@ -1,49 +1,49 @@ - O 4.3170159055868079E-023 - O3 586981542386.26208 - NO 1251605.7215907904 - NO2 91074099569.652161 - NO3 535797109.14958078 - O1D 3.4321242003573723E-107 - N2O5 3054963539.8578095 - OH 612.60920622314143 - HO2 336941.83033787285 - H2 450871027.17211193 - CO 4728287597903.9590 - H2O2 13183359.679792214 - HONO 101404582.80757290 - HNO3 41867636814.367096 - HO2NO2 873178.14939411776 + O -1.8222428472572775E-021 + O3 586981542187.15686 + NO 1251605.7303841617 + NO2 91074099657.513458 + NO3 535797107.10192734 + O1D 1.1339179217370241E-110 + N2O5 3054963534.1804786 + OH 612.60918769857824 + HO2 336941.82431983988 + H2 450871003.83324766 + CO 4728287597904.3252 + H2O2 13183359.769641507 + HONO 101404582.62122454 + HNO3 41867636783.456665 + HO2NO2 873178.13613474218 SO2 0.0000000000000000 SO3 0.0000000000000000 HSO3 0.0000000000000000 - NA 11992023691.707747 + NA 11992023649.179213 SA 0.0000000000000000 - C2H4 1568810599.2413909 - ETHENO3O2 109114.26826669151 - HCHO 745699463.60759270 - CH2OOA 1.1987690855048900E-003 - HOCH2CH2O2 5838.6407324792244 - ETHO2HNO3 732.13013069994827 - ETHENO3O 2.6520030119240568E-003 - ETHOHNO3 5572918.4273876138 - NO3CH2CHO 229732.73526672955 - CH2OO 77.449109121708432 - HYETHO2H 149530.15201618132 - HOCH2CH2O 4.6070357425682114E-005 - ETHGLY 67.044824572532718 - HOCH2CHO 195453655.18968797 - NO3CH2CO3 0.41926019163640654 - HCOCH2O 2.9681068039985024E-095 - HCOOH 9331869.7673617825 - HOCH2CO3 2281.9480515408218 - GLYOX 7174284.7462236332 - NO3CH2CO2H 4.3122751359996221E-003 - NO3CH2CO3H 1.0062506342556307E-002 - NO3CH2PAN 364.43338474277897 - HOCH2CO2H 1082.6952078075763 - HOCH2CO3H 2590.2260616877234 - PHAN 11073143.324588947 - HCOCO 7.9480350436558432E-008 - HCOCO3 1.1322657704956625 - HCOCO2H 1.1247958034088290 - HCOCO3H 6.1703246183914429 + C2H4 1568810655.9797840 + ETHENO3O2 109114.26843055403 + HCHO 745699431.64283359 + CH2OOA 1.1987691284535012E-003 + HOCH2CH2O2 5838.6406327674740 + ETHO2HNO3 732.13018353427458 + ETHENO3O 2.6520021946744732E-003 + ETHOHNO3 5572918.1487847297 + NO3CH2CHO 229732.74551483127 + CH2OO 77.449111896496618 + HYETHO2H 149530.14476726073 + HOCH2CH2O 4.6070371174709625E-005 + ETHGLY 67.044818167852654 + HOCH2CHO 195453645.97283453 + NO3CH2CO3 0.41925999602365227 + HCOCH2O 3.3168543566984675E-094 + HCOOH 9331869.9887976870 + HOCH2CO3 2281.9479272035114 + GLYOX 7174284.3638910344 + NO3CH2CO2H 4.3122750419588773E-003 + NO3CH2CO3H 1.0062506239741828E-002 + NO3CH2PAN 364.43340592877348 + HOCH2CO2H 1082.6951436299260 + HOCH2CO3H 2590.2259106642196 + PHAN 11073142.731965009 + HCOCO 7.9480345891420559E-008 + HCOCO3 1.1322657003051453 + HCOCO2H 1.1247957344728923 + HCOCO3H 6.1703242422279621 diff --git a/tests/model_tests/spec_model_func/output/lossRates.output.cmp b/tests/model_tests/spec_model_func/output/lossRates.output.cmp index e40188070..9a36ce7e4 100644 --- a/tests/model_tests/spec_model_func/output/lossRates.output.cmp +++ b/tests/model_tests/spec_model_func/output/lossRates.output.cmp @@ -9,29 +9,29 @@ 2.700000E+004 8 OH 26 7.422233E+001 OH+NO3=HO2+NO2 2.700000E+004 8 OH 29 3.954937E+002 OH+HO2NO2=NO2 2.700000E+004 8 OH 31 5.479423E+004 OH+HONO=NO2 - 2.700000E+004 8 OH 32 1.097701E+004 OH+HNO3=NO3 + 2.700000E+004 8 OH 32 1.097700E+004 OH+HNO3=NO3 2.700000E+004 8 OH 34 0.000000E+000 OH+SO2=HSO3 2.700000E+004 8 OH 51 1.016890E+005 C2H4+OH=HOCH2CH2O2 2.700000E+004 8 OH 61 1.871710E+004 OH+HCHO=HO2+CO 2.700000E+004 8 OH 72 2.685708E-006 ETHO2HNO3+OH=ETHENO3O2 2.700000E+004 8 OH 73 1.193158E-006 ETHO2HNO3+OH=NO3CH2CHO+OH - 2.700000E+004 8 OH 77 7.532236E+000 ETHOHNO3+OH=HOCH2CHO+NO2 + 2.700000E+004 8 OH 77 7.532235E+000 ETHOHNO3+OH=HOCH2CHO+NO2 2.700000E+004 8 OH 79 1.311110E-002 NO3CH2CHO+OH=NO3CH2CO3 2.700000E+004 8 OH 87 1.073046E+000 HYETHO2H+OH=HOCH2CH2O2 2.700000E+004 8 OH 88 4.060893E+000 HYETHO2H+OH=HOCH2CHO+OH - 2.700000E+004 8 OH 92 2.093661E-003 ETHGLY+OH=HOCH2CHO+HO2 - 2.700000E+004 8 OH 94 8.973135E+002 HOCH2CHO+OH=GLYOX+HO2 + 2.700000E+004 8 OH 92 2.093660E-003 ETHGLY+OH=HOCH2CHO+HO2 + 2.700000E+004 8 OH 94 8.973134E+002 HOCH2CHO+OH=GLYOX+HO2 2.700000E+004 8 OH 95 3.589254E+003 HOCH2CHO+OH=HOCH2CO3 2.700000E+004 8 OH 106 4.150924E+000 HCOOH+OH=HO2 - 2.700000E+004 8 OH 119 6.761154E+001 OH+GLYOX=HCOCO - 2.700000E+004 8 OH 120 2.513758E-010 NO3CH2CO2H+OH=HCHO+NO2 + 2.700000E+004 8 OH 119 6.761153E+001 OH+GLYOX=HCOCO + 2.700000E+004 8 OH 120 2.513757E-010 NO3CH2CO2H+OH=HCHO+NO2 2.700000E+004 8 OH 121 1.415888E-008 NO3CH2CO3H+OH=NO3CH2CO3 - 2.700000E+004 8 OH 123 4.351785E-007 NO3CH2PAN+OH=HCHO+CO+NO2+NO2 - 2.700000E+004 8 OH 125 9.829209E-004 HOCH2CO2H+OH=HCHO+HO2 - 2.700000E+004 8 OH 126 5.821210E-003 HOCH2CO3H+OH=HOCH2CO3 - 2.700000E+004 8 OH 128 1.055317E+001 PHAN+OH=HCHO+CO+NO2 - 2.700000E+004 8 OH 143 4.949327E-006 OH+HCOCO2H=CO+HO2 - 2.700000E+004 8 OH 146 1.803807E-005 OH+HCOCO3H=HCOCO3 + 2.700000E+004 8 OH 123 4.351784E-007 NO3CH2PAN+OH=HCHO+CO+NO2+NO2 + 2.700000E+004 8 OH 125 9.829207E-004 HOCH2CO2H+OH=HCHO+HO2 + 2.700000E+004 8 OH 126 5.821209E-003 HOCH2CO3H+OH=HOCH2CO3 + 2.700000E+004 8 OH 128 1.055316E+001 PHAN+OH=HCHO+CO+NO2 + 2.700000E+004 8 OH 143 4.949326E-006 OH+HCOCO2H=CO+HO2 + 2.700000E+004 8 OH 146 1.803806E-005 OH+HCOCO3H=HCOCO3 2.700000E+004 9 HO2 20 1.268479E+004 HO2+O3=OH 2.700000E+004 9 HO2 21 6.369222E+003 OH+HO2= 2.700000E+004 9 HO2 22 7.632039E+002 HO2+HO2=H2O2 @@ -41,21 +41,21 @@ 2.700000E+004 9 HO2 30 2.994469E+001 HO2+NO3=OH+NO2 2.700000E+004 9 HO2 52 4.911132E-005 ETHENO3O2+HO2=ETHO2HNO3 2.700000E+004 9 HO2 65 2.375527E+001 HOCH2CH2O2+HO2=HYETHO2H - 2.700000E+004 9 HO2 97 5.037550E-007 NO3CH2CO3+HO2=HCHO+NO2+OH - 2.700000E+004 9 HO2 98 1.717347E-007 NO3CH2CO3+HO2=NO3CH2CO2H+O3 + 2.700000E+004 9 HO2 97 5.037549E-007 NO3CH2CO3+HO2=HCHO+NO2+OH + 2.700000E+004 9 HO2 98 1.717346E-007 NO3CH2CO3+HO2=NO3CH2CO2H+O3 2.700000E+004 9 HO2 99 4.694080E-007 NO3CH2CO3+HO2=NO3CH2CO3H 2.700000E+004 9 HO2 107 1.366702E-001 HOCH2CO3+HO2=HO2+HCHO+OH 2.700000E+004 9 HO2 108 4.659212E-002 HOCH2CO3+HO2=HOCH2CO2H+O3 2.700000E+004 9 HO2 109 1.273518E-001 HOCH2CO3+HO2=HOCH2CO3H - 2.700000E+004 9 HO2 134 8.327975E-005 HCOCO3+HO2=HCOCO2H+O3 + 2.700000E+004 9 HO2 134 8.327973E-005 HCOCO3+HO2=HCOCO2H+O3 2.700000E+004 9 HO2 135 2.276313E-004 HCOCO3+HO2=HCOCO3H 2.700000E+004 9 HO2 136 2.442872E-004 HCOCO3+HO2=HO2+CO+OH 3.060000E+004 8 OH 16 2.125165E+005 OH+O3=HO2 - 3.060000E+004 8 OH 17 3.803105E+000 OH+H2=HO2 + 3.060000E+004 8 OH 17 3.803104E+000 OH+H2=HO2 3.060000E+004 8 OH 18 5.371256E+006 OH+CO=HO2 3.060000E+004 8 OH 19 5.041078E+001 OH+H2O2=HO2 3.060000E+004 8 OH 21 6.511413E+003 OH+HO2= - 3.060000E+004 8 OH 24 2.833492E+006 OH+NO=HONO + 3.060000E+004 8 OH 24 2.833493E+006 OH+NO=HONO 3.060000E+004 8 OH 25 3.407257E+006 OH+NO2=HNO3 3.060000E+004 8 OH 26 7.473717E+001 OH+NO3=HO2+NO2 3.060000E+004 8 OH 29 3.753668E+002 OH+HO2NO2=NO2 @@ -71,14 +71,14 @@ 3.060000E+004 8 OH 87 2.079816E+000 HYETHO2H+OH=HOCH2CH2O2 3.060000E+004 8 OH 88 7.870969E+000 HYETHO2H+OH=HOCH2CHO+OH 3.060000E+004 8 OH 92 3.859513E-003 ETHGLY+OH=HOCH2CHO+HO2 - 3.060000E+004 8 OH 94 1.487621E+003 HOCH2CHO+OH=GLYOX+HO2 + 3.060000E+004 8 OH 94 1.487620E+003 HOCH2CHO+OH=GLYOX+HO2 3.060000E+004 8 OH 95 5.950482E+003 HOCH2CHO+OH=HOCH2CO3 3.060000E+004 8 OH 106 7.295505E+000 HCOOH+OH=HO2 3.060000E+004 8 OH 119 2.180447E+002 OH+GLYOX=HCOCO 3.060000E+004 8 OH 120 1.023630E-009 NO3CH2CO2H+OH=HCHO+NO2 3.060000E+004 8 OH 121 5.613722E-008 NO3CH2CO3H+OH=NO3CH2CO3 - 3.060000E+004 8 OH 123 1.258656E-006 NO3CH2PAN+OH=HCHO+CO+NO2+NO2 - 3.060000E+004 8 OH 125 4.619565E-003 HOCH2CO2H+OH=HCHO+HO2 + 3.060000E+004 8 OH 123 1.258655E-006 NO3CH2PAN+OH=HCHO+CO+NO2+NO2 + 3.060000E+004 8 OH 125 4.619564E-003 HOCH2CO2H+OH=HCHO+HO2 3.060000E+004 8 OH 126 2.670284E-002 HOCH2CO3H+OH=HOCH2CO3 3.060000E+004 8 OH 128 3.598297E+001 PHAN+OH=HCHO+CO+NO2 3.060000E+004 8 OH 143 3.788601E-005 OH+HCOCO2H=CO+HO2 @@ -98,9 +98,9 @@ 3.060000E+004 9 HO2 107 2.946403E-001 HOCH2CO3+HO2=HO2+HCHO+OH 3.060000E+004 9 HO2 108 1.004456E-001 HOCH2CO3+HO2=HOCH2CO2H+O3 3.060000E+004 9 HO2 109 2.745512E-001 HOCH2CO3+HO2=HOCH2CO3H - 3.060000E+004 9 HO2 134 3.231465E-004 HCOCO3+HO2=HCOCO2H+O3 + 3.060000E+004 9 HO2 134 3.231464E-004 HCOCO3+HO2=HCOCO2H+O3 3.060000E+004 9 HO2 135 8.832669E-004 HCOCO3+HO2=HCOCO3H - 3.060000E+004 9 HO2 136 9.478962E-004 HCOCO3+HO2=HO2+CO+OH + 3.060000E+004 9 HO2 136 9.478961E-004 HCOCO3+HO2=HO2+CO+OH 3.420000E+004 8 OH 16 1.633187E+005 OH+O3=HO2 3.420000E+004 8 OH 17 5.422633E+000 OH+H2=HO2 3.420000E+004 8 OH 18 4.080574E+006 OH+CO=HO2 @@ -119,25 +119,25 @@ 3.420000E+004 8 OH 73 2.841066E-006 ETHO2HNO3+OH=NO3CH2CHO+OH 3.420000E+004 8 OH 77 1.455981E+001 ETHOHNO3+OH=HOCH2CHO+NO2 3.420000E+004 8 OH 79 1.753639E-002 NO3CH2CHO+OH=NO3CH2CO3 - 3.420000E+004 8 OH 87 2.049504E+000 HYETHO2H+OH=HOCH2CH2O2 - 3.420000E+004 8 OH 88 7.756254E+000 HYETHO2H+OH=HOCH2CHO+OH + 3.420000E+004 8 OH 87 2.049503E+000 HYETHO2H+OH=HOCH2CH2O2 + 3.420000E+004 8 OH 88 7.756253E+000 HYETHO2H+OH=HOCH2CHO+OH 3.420000E+004 8 OH 92 3.652461E-003 ETHGLY+OH=HOCH2CHO+HO2 3.420000E+004 8 OH 94 1.387170E+003 HOCH2CHO+OH=GLYOX+HO2 - 3.420000E+004 8 OH 95 5.548681E+003 HOCH2CHO+OH=HOCH2CO3 + 3.420000E+004 8 OH 95 5.548680E+003 HOCH2CHO+OH=HOCH2CO3 3.420000E+004 8 OH 106 7.779484E+000 HCOOH+OH=HO2 3.420000E+004 8 OH 119 2.685248E+002 OH+GLYOX=HCOCO 3.420000E+004 8 OH 120 1.567711E-009 NO3CH2CO2H+OH=HCHO+NO2 3.420000E+004 8 OH 121 8.390670E-008 NO3CH2CO3H+OH=NO3CH2CO3 3.420000E+004 8 OH 123 1.539667E-006 NO3CH2PAN+OH=HCHO+CO+NO2+NO2 - 3.420000E+004 8 OH 125 7.350617E-003 HOCH2CO2H+OH=HCHO+HO2 + 3.420000E+004 8 OH 125 7.350616E-003 HOCH2CO2H+OH=HCHO+HO2 3.420000E+004 8 OH 126 4.152004E-002 HOCH2CO3H+OH=HOCH2CO3 3.420000E+004 8 OH 128 4.649251E+001 PHAN+OH=HCHO+CO+NO2 - 3.420000E+004 8 OH 143 6.539885E-005 OH+HCOCO2H=CO+HO2 + 3.420000E+004 8 OH 143 6.539884E-005 OH+HCOCO2H=CO+HO2 3.420000E+004 8 OH 146 2.761873E-004 OH+HCOCO3H=HCOCO3 3.420000E+004 9 HO2 20 1.214561E+004 HO2+O3=OH 3.420000E+004 9 HO2 21 4.333452E+003 OH+HO2= 3.420000E+004 9 HO2 22 6.745203E+002 HO2+HO2=H2O2 - 3.420000E+004 9 HO2 23 5.066849E+002 HO2+HO2=H2O2 + 3.420000E+004 9 HO2 23 5.066850E+002 HO2+HO2=H2O2 3.420000E+004 9 HO2 27 4.356926E+006 HO2+NO=OH+NO2 3.420000E+004 9 HO2 28 4.884371E+005 HO2+NO2=HO2NO2 3.420000E+004 9 HO2 30 3.278958E+001 HO2+NO3=OH+NO2 @@ -157,22 +157,22 @@ 3.780000E+004 8 OH 18 2.246608E+006 OH+CO=HO2 3.780000E+004 8 OH 19 3.818066E+001 OH+H2O2=HO2 3.780000E+004 8 OH 21 1.543261E+003 OH+HO2= - 3.780000E+004 8 OH 24 8.897593E+005 OH+NO=HONO + 3.780000E+004 8 OH 24 8.897594E+005 OH+NO=HONO 3.780000E+004 8 OH 25 1.388797E+006 OH+NO2=HNO3 3.780000E+004 8 OH 26 4.027012E+001 OH+NO3=HO2+NO2 - 3.780000E+004 8 OH 29 8.668263E+001 OH+HO2NO2=NO2 + 3.780000E+004 8 OH 29 8.668264E+001 OH+HO2NO2=NO2 3.780000E+004 8 OH 31 9.107035E+003 OH+HONO=NO2 3.780000E+004 8 OH 32 1.442048E+004 OH+HNO3=NO3 3.780000E+004 8 OH 34 0.000000E+000 OH+SO2=HSO3 3.780000E+004 8 OH 51 2.793823E+004 C2H4+OH=HOCH2CH2O2 3.780000E+004 8 OH 61 1.426505E+004 OH+HCHO=HO2+CO 3.780000E+004 8 OH 72 4.576534E-006 ETHO2HNO3+OH=ETHENO3O2 - 3.780000E+004 8 OH 73 2.033180E-006 ETHO2HNO3+OH=NO3CH2CHO+OH + 3.780000E+004 8 OH 73 2.033181E-006 ETHO2HNO3+OH=NO3CH2CHO+OH 3.780000E+004 8 OH 77 9.274143E+000 ETHOHNO3+OH=HOCH2CHO+NO2 3.780000E+004 8 OH 79 1.198280E-002 NO3CH2CHO+OH=NO3CH2CO3 3.780000E+004 8 OH 87 1.192608E+000 HYETHO2H+OH=HOCH2CH2O2 3.780000E+004 8 OH 88 4.513372E+000 HYETHO2H+OH=HOCH2CHO+OH - 3.780000E+004 8 OH 92 2.091059E-003 ETHGLY+OH=HOCH2CHO+HO2 + 3.780000E+004 8 OH 92 2.091058E-003 ETHGLY+OH=HOCH2CHO+HO2 3.780000E+004 8 OH 94 8.191962E+002 HOCH2CHO+OH=GLYOX+HO2 3.780000E+004 8 OH 95 3.276785E+003 HOCH2CHO+OH=HOCH2CO3 3.780000E+004 8 OH 106 5.393641E+000 HCOOH+OH=HO2 @@ -194,7 +194,7 @@ 3.780000E+004 9 HO2 30 2.467842E+001 HO2+NO3=OH+NO2 3.780000E+004 9 HO2 52 4.233598E-005 ETHENO3O2+HO2=ETHO2HNO3 3.780000E+004 9 HO2 65 6.024627E+000 HOCH2CH2O2+HO2=HYETHO2H - 3.780000E+004 9 HO2 97 5.390767E-007 NO3CH2CO3+HO2=HCHO+NO2+OH + 3.780000E+004 9 HO2 97 5.390768E-007 NO3CH2CO3+HO2=HCHO+NO2+OH 3.780000E+004 9 HO2 98 1.837762E-007 NO3CH2CO3+HO2=NO3CH2CO2H+O3 3.780000E+004 9 HO2 99 5.023215E-007 NO3CH2CO3+HO2=NO3CH2CO3H 3.780000E+004 9 HO2 107 1.519909E-001 HOCH2CO3+HO2=HO2+HCHO+OH @@ -207,7 +207,7 @@ 4.140000E+004 8 OH 17 1.517295E+000 OH+H2=HO2 4.140000E+004 8 OH 18 6.691021E+005 OH+CO=HO2 4.140000E+004 8 OH 19 1.230508E+001 OH+H2O2=HO2 - 4.140000E+004 8 OH 21 1.785143E+002 OH+HO2= + 4.140000E+004 8 OH 21 1.785144E+002 OH+HO2= 4.140000E+004 8 OH 24 2.057102E+005 OH+NO=HONO 4.140000E+004 8 OH 25 4.576551E+005 OH+NO2=HNO3 4.140000E+004 8 OH 26 1.664201E+001 OH+NO3=HO2+NO2 @@ -218,14 +218,14 @@ 4.140000E+004 8 OH 51 7.996525E+003 C2H4+OH=HOCH2CH2O2 4.140000E+004 8 OH 61 4.089874E+003 OH+HCHO=HO2+CO 4.140000E+004 8 OH 72 1.604429E-006 ETHO2HNO3+OH=ETHENO3O2 - 4.140000E+004 8 OH 73 7.127871E-007 ETHO2HNO3+OH=NO3CH2CHO+OH + 4.140000E+004 8 OH 73 7.127872E-007 ETHO2HNO3+OH=NO3CH2CHO+OH 4.140000E+004 8 OH 77 2.916113E+000 ETHOHNO3+OH=HOCH2CHO+NO2 - 4.140000E+004 8 OH 79 4.854035E-003 NO3CH2CHO+OH=NO3CH2CO3 + 4.140000E+004 8 OH 79 4.854036E-003 NO3CH2CHO+OH=NO3CH2CO3 4.140000E+004 8 OH 87 3.474026E-001 HYETHO2H+OH=HOCH2CH2O2 4.140000E+004 8 OH 88 1.314729E+000 HYETHO2H+OH=HOCH2CHO+OH - 4.140000E+004 8 OH 92 6.117110E-004 ETHGLY+OH=HOCH2CHO+HO2 + 4.140000E+004 8 OH 92 6.117109E-004 ETHGLY+OH=HOCH2CHO+HO2 4.140000E+004 8 OH 94 2.472522E+002 HOCH2CHO+OH=GLYOX+HO2 - 4.140000E+004 8 OH 95 9.890087E+002 HOCH2CHO+OH=HOCH2CO3 + 4.140000E+004 8 OH 95 9.890088E+002 HOCH2CHO+OH=HOCH2CO3 4.140000E+004 8 OH 106 1.917289E+000 HCOOH+OH=HO2 4.140000E+004 8 OH 119 4.948911E+001 OH+GLYOX=HCOCO 4.140000E+004 8 OH 120 3.998627E-010 NO3CH2CO2H+OH=HCHO+NO2 @@ -237,122 +237,122 @@ 4.140000E+004 8 OH 143 1.058268E-005 OH+HCOCO2H=CO+HO2 4.140000E+004 8 OH 146 6.242240E-005 OH+HCOCO3H=HCOCO3 4.140000E+004 9 HO2 20 3.015456E+003 HO2+O3=OH - 4.140000E+004 9 HO2 21 1.785143E+002 OH+HO2= + 4.140000E+004 9 HO2 21 1.785144E+002 OH+HO2= 4.140000E+004 9 HO2 22 4.228459E+001 HO2+HO2=H2O2 4.140000E+004 9 HO2 23 3.176326E+001 HO2+HO2=H2O2 4.140000E+004 9 HO2 27 7.243348E+005 HO2+NO=OH+NO2 4.140000E+004 9 HO2 28 1.367751E+005 HO2+NO2=HO2NO2 4.140000E+004 9 HO2 30 1.327229E+001 HO2+NO3=OH+NO2 4.140000E+004 9 HO2 52 2.812677E-005 ETHENO3O2+HO2=ETHO2HNO3 - 4.140000E+004 9 HO2 65 8.636769E-001 HOCH2CH2O2+HO2=HYETHO2H + 4.140000E+004 9 HO2 65 8.636770E-001 HOCH2CH2O2+HO2=HYETHO2H 4.140000E+004 9 HO2 97 1.416239E-007 NO3CH2CO3+HO2=HCHO+NO2+OH 4.140000E+004 9 HO2 98 4.828089E-008 NO3CH2CO3+HO2=NO3CH2CO2H+O3 - 4.140000E+004 9 HO2 99 1.319677E-007 NO3CH2CO3+HO2=NO3CH2CO3H + 4.140000E+004 9 HO2 99 1.319678E-007 NO3CH2CO3+HO2=NO3CH2CO3H 4.140000E+004 9 HO2 107 3.517456E-002 HOCH2CO3+HO2=HO2+HCHO+OH 4.140000E+004 9 HO2 108 1.199133E-002 HOCH2CO3+HO2=HOCH2CO2H+O3 4.140000E+004 9 HO2 109 3.277629E-002 HOCH2CO3+HO2=HOCH2CO3H 4.140000E+004 9 HO2 134 2.138956E-005 HCOCO3+HO2=HCOCO2H+O3 4.140000E+004 9 HO2 135 5.846480E-005 HCOCO3+HO2=HCOCO3H - 4.140000E+004 9 HO2 136 6.274271E-005 HCOCO3+HO2=HO2+CO+OH + 4.140000E+004 9 HO2 136 6.274272E-005 HCOCO3+HO2=HO2+CO+OH 4.500000E+004 8 OH 16 1.117582E+003 OH+O3=HO2 - 4.500000E+004 8 OH 17 7.038076E-002 OH+H2=HO2 + 4.500000E+004 8 OH 17 7.038078E-002 OH+H2=HO2 4.500000E+004 8 OH 18 2.909103E+004 OH+CO=HO2 - 4.500000E+004 8 OH 19 5.625889E-001 OH+H2O2=HO2 - 4.500000E+004 8 OH 21 1.104331E+000 OH+HO2= - 4.500000E+004 8 OH 24 2.854596E+003 OH+NO=HONO + 4.500000E+004 8 OH 19 5.625891E-001 OH+H2O2=HO2 + 4.500000E+004 8 OH 21 1.104332E+000 OH+HO2= + 4.500000E+004 8 OH 24 2.854597E+003 OH+NO=HONO 4.500000E+004 8 OH 25 2.601321E+004 OH+NO2=HNO3 4.500000E+004 8 OH 26 2.626629E+000 OH+NO3=HO2+NO2 - 4.500000E+004 8 OH 29 9.106431E-002 OH+HO2NO2=NO2 - 4.500000E+004 8 OH 31 1.835555E+001 OH+HONO=NO2 + 4.500000E+004 8 OH 29 9.106435E-002 OH+HO2NO2=NO2 + 4.500000E+004 8 OH 31 1.835556E+001 OH+HONO=NO2 4.500000E+004 8 OH 32 1.958773E+002 OH+HNO3=NO3 4.500000E+004 8 OH 34 0.000000E+000 OH+SO2=HSO3 4.500000E+004 8 OH 51 3.442724E+002 C2H4+OH=HOCH2CH2O2 4.500000E+004 8 OH 61 1.735258E+002 OH+HCHO=HO2+CO - 4.500000E+004 8 OH 72 7.885250E-008 ETHO2HNO3+OH=ETHENO3O2 - 4.500000E+004 8 OH 73 3.503117E-008 ETHO2HNO3+OH=NO3CH2CHO+OH - 4.500000E+004 8 OH 77 1.280121E-001 ETHOHNO3+OH=HOCH2CHO+NO2 - 4.500000E+004 8 OH 79 3.689060E-004 NO3CH2CHO+OH=NO3CH2CO3 - 4.500000E+004 8 OH 87 1.491029E-002 HYETHO2H+OH=HOCH2CH2O2 - 4.500000E+004 8 OH 88 5.642734E-002 HYETHO2H+OH=HOCH2CHO+OH + 4.500000E+004 8 OH 72 7.885252E-008 ETHO2HNO3+OH=ETHENO3O2 + 4.500000E+004 8 OH 73 3.503118E-008 ETHO2HNO3+OH=NO3CH2CHO+OH + 4.500000E+004 8 OH 77 1.280122E-001 ETHOHNO3+OH=HOCH2CHO+NO2 + 4.500000E+004 8 OH 79 3.689061E-004 NO3CH2CHO+OH=NO3CH2CO3 + 4.500000E+004 8 OH 87 1.491030E-002 HYETHO2H+OH=HOCH2CH2O2 + 4.500000E+004 8 OH 88 5.642735E-002 HYETHO2H+OH=HOCH2CHO+OH 4.500000E+004 8 OH 92 2.637669E-005 ETHGLY+OH=HOCH2CHO+HO2 4.500000E+004 8 OH 94 1.072816E+001 HOCH2CHO+OH=GLYOX+HO2 - 4.500000E+004 8 OH 95 4.291262E+001 HOCH2CHO+OH=HOCH2CO3 - 4.500000E+004 8 OH 106 9.636251E-002 HCOOH+OH=HO2 - 4.500000E+004 8 OH 119 1.975885E+000 OH+GLYOX=HCOCO - 4.500000E+004 8 OH 120 1.772072E-011 NO3CH2CO2H+OH=HCHO+NO2 - 4.500000E+004 8 OH 121 9.138268E-010 NO3CH2CO3H+OH=NO3CH2CO3 + 4.500000E+004 8 OH 95 4.291263E+001 HOCH2CHO+OH=HOCH2CO3 + 4.500000E+004 8 OH 106 9.636254E-002 HCOOH+OH=HO2 + 4.500000E+004 8 OH 119 1.975886E+000 OH+GLYOX=HCOCO + 4.500000E+004 8 OH 120 1.772073E-011 NO3CH2CO2H+OH=HCHO+NO2 + 4.500000E+004 8 OH 121 9.138270E-010 NO3CH2CO3H+OH=NO3CH2CO3 4.500000E+004 8 OH 123 1.199847E-008 NO3CH2PAN+OH=HCHO+CO+NO2+NO2 - 4.500000E+004 8 OH 125 8.026569E-005 HOCH2CO2H+OH=HCHO+HO2 - 4.500000E+004 8 OH 126 4.358671E-004 HOCH2CO3H+OH=HOCH2CO3 - 4.500000E+004 8 OH 128 3.244875E-001 PHAN+OH=HCHO+CO+NO2 - 4.500000E+004 8 OH 143 3.828657E-007 OH+HCOCO2H=CO+HO2 - 4.500000E+004 8 OH 146 2.665503E-006 OH+HCOCO3H=HCOCO3 + 4.500000E+004 8 OH 125 8.026571E-005 HOCH2CO2H+OH=HCHO+HO2 + 4.500000E+004 8 OH 126 4.358672E-004 HOCH2CO3H+OH=HOCH2CO3 + 4.500000E+004 8 OH 128 3.244876E-001 PHAN+OH=HCHO+CO+NO2 + 4.500000E+004 8 OH 143 3.828658E-007 OH+HCOCO2H=CO+HO2 + 4.500000E+004 8 OH 146 2.665504E-006 OH+HCOCO3H=HCOCO3 4.500000E+004 9 HO2 20 4.137510E+002 HO2+O3=OH - 4.500000E+004 9 HO2 21 1.104331E+000 OH+HO2= - 4.500000E+004 9 HO2 22 8.557300E-001 HO2+HO2=H2O2 - 4.500000E+004 9 HO2 23 6.428057E-001 HO2+HO2=H2O2 - 4.500000E+004 9 HO2 27 3.288187E+004 HO2+NO=OH+NO2 + 4.500000E+004 9 HO2 21 1.104332E+000 OH+HO2= + 4.500000E+004 9 HO2 22 8.557302E-001 HO2+HO2=H2O2 + 4.500000E+004 9 HO2 23 6.428058E-001 HO2+HO2=H2O2 + 4.500000E+004 9 HO2 27 3.288188E+004 HO2+NO=OH+NO2 4.500000E+004 9 HO2 28 2.543261E+004 HO2+NO2=HO2NO2 4.500000E+004 9 HO2 30 6.852786E+000 HO2+NO3=OH+NO2 - 4.500000E+004 9 HO2 52 4.429797E-005 ETHENO3O2+HO2=ETHO2HNO3 + 4.500000E+004 9 HO2 52 4.429796E-005 ETHENO3O2+HO2=ETHO2HNO3 4.500000E+004 9 HO2 65 1.667213E-002 HOCH2CH2O2+HO2=HYETHO2H - 4.500000E+004 9 HO2 97 1.379016E-008 NO3CH2CO3+HO2=HCHO+NO2+OH + 4.500000E+004 9 HO2 97 1.379017E-008 NO3CH2CO3+HO2=HCHO+NO2+OH 4.500000E+004 9 HO2 98 4.701193E-009 NO3CH2CO3+HO2=NO3CH2CO2H+O3 4.500000E+004 9 HO2 99 1.284993E-008 NO3CH2CO3+HO2=NO3CH2CO3H - 4.500000E+004 9 HO2 107 3.580825E-003 HOCH2CO3+HO2=HO2+HCHO+OH + 4.500000E+004 9 HO2 107 3.580826E-003 HOCH2CO3+HO2=HO2+HCHO+OH 4.500000E+004 9 HO2 108 1.220736E-003 HOCH2CO3+HO2=HOCH2CO2H+O3 4.500000E+004 9 HO2 109 3.336678E-003 HOCH2CO3+HO2=HOCH2CO3H 4.500000E+004 9 HO2 134 1.564266E-007 HCOCO3+HO2=HCOCO2H+O3 - 4.500000E+004 9 HO2 135 4.275660E-007 HCOCO3+HO2=HCOCO3H - 4.500000E+004 9 HO2 136 4.588513E-007 HCOCO3+HO2=HO2+CO+OH - 4.860000E+004 8 OH 16 1.702313E+001 OH+O3=HO2 - 4.860000E+004 8 OH 17 1.101256E-003 OH+H2=HO2 - 4.860000E+004 8 OH 18 4.543628E+002 OH+CO=HO2 - 4.860000E+004 8 OH 19 9.223576E-003 OH+H2O2=HO2 - 4.860000E+004 8 OH 21 1.313623E-002 OH+HO2= - 4.860000E+004 8 OH 24 4.890725E-003 OH+NO=HONO - 4.860000E+004 8 OH 25 4.178314E+002 OH+NO2=HNO3 - 4.860000E+004 8 OH 26 3.412864E+000 OH+NO3=HO2+NO2 - 4.860000E+004 8 OH 29 1.084833E-003 OH+HO2NO2=NO2 - 4.860000E+004 8 OH 31 2.642532E-001 OH+HONO=NO2 - 4.860000E+004 8 OH 32 2.994487E+000 OH+HNO3=NO3 + 4.500000E+004 9 HO2 135 4.275661E-007 HCOCO3+HO2=HCOCO3H + 4.500000E+004 9 HO2 136 4.588515E-007 HCOCO3+HO2=HO2+CO+OH + 4.860000E+004 8 OH 16 1.702784E+001 OH+O3=HO2 + 4.860000E+004 8 OH 17 1.101564E-003 OH+H2=HO2 + 4.860000E+004 8 OH 18 4.544900E+002 OH+CO=HO2 + 4.860000E+004 8 OH 19 9.226284E-003 OH+H2O2=HO2 + 4.860000E+004 8 OH 21 1.314198E-002 OH+HO2= + 4.860000E+004 8 OH 24 4.892572E-003 OH+NO=HONO + 4.860000E+004 8 OH 25 4.179341E+002 OH+NO2=HNO3 + 4.860000E+004 8 OH 26 3.414747E+000 OH+NO3=HO2+NO2 + 4.860000E+004 8 OH 29 1.085272E-003 OH+HO2NO2=NO2 + 4.860000E+004 8 OH 31 2.643271E-001 OH+HONO=NO2 + 4.860000E+004 8 OH 32 2.995306E+000 OH+HNO3=NO3 4.860000E+004 8 OH 34 0.000000E+000 OH+SO2=HSO3 - 4.860000E+004 8 OH 51 5.360961E+000 C2H4+OH=HOCH2CH2O2 - 4.860000E+004 8 OH 61 2.725711E+000 OH+HCHO=HO2+CO - 4.860000E+004 8 OH 72 3.351098E-007 ETHO2HNO3+OH=ETHENO3O2 - 4.860000E+004 8 OH 73 1.488766E-007 ETHO2HNO3+OH=NO3CH2CHO+OH - 4.860000E+004 8 OH 77 1.999641E-003 ETHOHNO3+OH=HOCH2CHO+NO2 - 4.860000E+004 8 OH 79 9.374500E-005 NO3CH2CHO+OH=NO3CH2CO3 - 4.860000E+004 8 OH 87 2.328571E-004 HYETHO2H+OH=HOCH2CH2O2 - 4.860000E+004 8 OH 88 8.812371E-004 HYETHO2H+OH=HOCH2CHO+OH - 4.860000E+004 8 OH 92 4.129168E-007 ETHGLY+OH=HOCH2CHO+HO2 - 4.860000E+004 8 OH 94 1.673127E-001 HOCH2CHO+OH=GLYOX+HO2 - 4.860000E+004 8 OH 95 6.692507E-001 HOCH2CHO+OH=HOCH2CO3 - 4.860000E+004 8 OH 106 1.700840E-003 HCOOH+OH=HO2 - 4.860000E+004 8 OH 119 3.056469E-002 OH+GLYOX=HCOCO - 4.860000E+004 8 OH 120 2.803603E-013 NO3CH2CO2H+OH=HCHO+NO2 - 4.860000E+004 8 OH 121 1.443188E-011 NO3CH2CO3H+OH=NO3CH2CO3 - 4.860000E+004 8 OH 123 3.726219E-010 NO3CH2PAN+OH=HCHO+CO+NO2+NO2 - 4.860000E+004 8 OH 125 1.258168E-006 HOCH2CO2H+OH=HCHO+HO2 - 4.860000E+004 8 OH 126 6.830238E-006 HOCH2CO3H+OH=HOCH2CO3 - 4.860000E+004 8 OH 128 5.113494E-003 PHAN+OH=HCHO+CO+NO2 - 4.860000E+004 8 OH 143 5.900741E-009 OH+HCOCO2H=CO+HO2 - 4.860000E+004 8 OH 146 4.162313E-008 OH+HCOCO3H=HCOCO3 - 4.860000E+004 9 HO2 20 3.073130E+002 HO2+O3=OH - 4.860000E+004 9 HO2 21 1.313623E-002 OH+HO2= - 4.860000E+004 9 HO2 22 4.963521E-001 HO2+HO2=H2O2 - 4.860000E+004 9 HO2 23 3.728489E-001 HO2+HO2=H2O2 - 4.860000E+004 9 HO2 27 2.747053E+000 HO2+NO=OH+NO2 - 4.860000E+004 9 HO2 28 1.991957E+004 HO2+NO2=HO2NO2 - 4.860000E+004 9 HO2 30 4.341795E+002 HO2+NO3=OH+NO2 - 4.860000E+004 9 HO2 52 2.189703E-001 ETHENO3O2+HO2=ETHO2HNO3 - 4.860000E+004 9 HO2 65 1.793767E-002 HOCH2CH2O2+HO2=HYETHO2H - 4.860000E+004 9 HO2 97 1.491807E-007 NO3CH2CO3+HO2=HCHO+NO2+OH - 4.860000E+004 9 HO2 98 5.085704E-008 NO3CH2CO3+HO2=NO3CH2CO2H+O3 - 4.860000E+004 9 HO2 99 1.390092E-007 NO3CH2CO3+HO2=NO3CH2CO3H - 4.860000E+004 9 HO2 107 3.624699E-003 HOCH2CO3+HO2=HO2+HCHO+OH - 4.860000E+004 9 HO2 108 1.235693E-003 HOCH2CO3+HO2=HOCH2CO2H+O3 - 4.860000E+004 9 HO2 109 3.377561E-003 HOCH2CO3+HO2=HOCH2CO3H - 4.860000E+004 9 HO2 134 4.889583E-007 HCOCO3+HO2=HCOCO2H+O3 - 4.860000E+004 9 HO2 135 1.336486E-006 HCOCO3+HO2=HCOCO3H - 4.860000E+004 9 HO2 136 1.434278E-006 HCOCO3+HO2=HO2+CO+OH + 4.860000E+004 8 OH 51 5.362457E+000 C2H4+OH=HOCH2CH2O2 + 4.860000E+004 8 OH 61 2.726479E+000 OH+HCHO=HO2+CO + 4.860000E+004 8 OH 72 3.355598E-007 ETHO2HNO3+OH=ETHENO3O2 + 4.860000E+004 8 OH 73 1.490765E-007 ETHO2HNO3+OH=NO3CH2CHO+OH + 4.860000E+004 8 OH 77 2.000201E-003 ETHOHNO3+OH=HOCH2CHO+NO2 + 4.860000E+004 8 OH 79 9.387155E-005 NO3CH2CHO+OH=NO3CH2CO3 + 4.860000E+004 8 OH 87 2.329223E-004 HYETHO2H+OH=HOCH2CH2O2 + 4.860000E+004 8 OH 88 8.814839E-004 HYETHO2H+OH=HOCH2CHO+OH + 4.860000E+004 8 OH 92 4.130335E-007 ETHGLY+OH=HOCH2CHO+HO2 + 4.860000E+004 8 OH 94 1.673593E-001 HOCH2CHO+OH=GLYOX+HO2 + 4.860000E+004 8 OH 95 6.694374E-001 HOCH2CHO+OH=HOCH2CO3 + 4.860000E+004 8 OH 106 1.701372E-003 HCOOH+OH=HO2 + 4.860000E+004 8 OH 119 3.057322E-002 OH+GLYOX=HCOCO + 4.860000E+004 8 OH 120 2.804442E-013 NO3CH2CO2H+OH=HCHO+NO2 + 4.860000E+004 8 OH 121 1.443615E-011 NO3CH2CO3H+OH=NO3CH2CO3 + 4.860000E+004 8 OH 123 3.730378E-010 NO3CH2PAN+OH=HCHO+CO+NO2+NO2 + 4.860000E+004 8 OH 125 1.258523E-006 HOCH2CO2H+OH=HCHO+HO2 + 4.860000E+004 8 OH 126 6.832159E-006 HOCH2CO3H+OH=HOCH2CO3 + 4.860000E+004 8 OH 128 5.115019E-003 PHAN+OH=HCHO+CO+NO2 + 4.860000E+004 8 OH 143 5.902397E-009 OH+HCOCO2H=CO+HO2 + 4.860000E+004 8 OH 146 4.163479E-008 OH+HCOCO3H=HCOCO3 + 4.860000E+004 9 HO2 20 3.073606E+002 HO2+O3=OH + 4.860000E+004 9 HO2 21 1.314198E-002 OH+HO2= + 4.860000E+004 9 HO2 22 4.965088E-001 HO2+HO2=H2O2 + 4.860000E+004 9 HO2 23 3.729666E-001 HO2+HO2=H2O2 + 4.860000E+004 9 HO2 27 2.747755E+000 HO2+NO=OH+NO2 + 4.860000E+004 9 HO2 28 1.992204E+004 HO2+NO2=HO2NO2 + 4.860000E+004 9 HO2 30 4.343661E+002 HO2+NO3=OH+NO2 + 4.860000E+004 9 HO2 52 2.190851E-001 ETHENO3O2+HO2=ETHO2HNO3 + 4.860000E+004 9 HO2 65 1.794319E-002 HOCH2CH2O2+HO2=HYETHO2H + 4.860000E+004 9 HO2 97 1.494102E-007 NO3CH2CO3+HO2=HCHO+NO2+OH + 4.860000E+004 9 HO2 98 5.093530E-008 NO3CH2CO3+HO2=NO3CH2CO2H+O3 + 4.860000E+004 9 HO2 99 1.392232E-007 NO3CH2CO3+HO2=NO3CH2CO3H + 4.860000E+004 9 HO2 107 3.625556E-003 HOCH2CO3+HO2=HO2+HCHO+OH + 4.860000E+004 9 HO2 108 1.235985E-003 HOCH2CO3+HO2=HOCH2CO2H+O3 + 4.860000E+004 9 HO2 109 3.378359E-003 HOCH2CO3+HO2=HOCH2CO3H + 4.860000E+004 9 HO2 134 4.891845E-007 HCOCO3+HO2=HCOCO2H+O3 + 4.860000E+004 9 HO2 135 1.337104E-006 HCOCO3+HO2=HCOCO3H + 4.860000E+004 9 HO2 136 1.434941E-006 HCOCO3+HO2=HO2+CO+OH diff --git a/tests/model_tests/spec_model_func/output/mainSolverParameters.output.cmp b/tests/model_tests/spec_model_func/output/mainSolverParameters.output.cmp index 03162cfda..055128ee8 100644 --- a/tests/model_tests/spec_model_func/output/mainSolverParameters.output.cmp +++ b/tests/model_tests/spec_model_func/output/mainSolverParameters.output.cmp @@ -1,5 +1,5 @@ t currentStepSize previousStepSize LENRW LENIW NST NFE NETF NCFN NNI NSETUPS QU QCUR NOR LENRWLS LENIWLS LS_FLAG NFELS NJTV NPE NPS NLI NCFL - 2.43E+04 1.00000000E+002 6.65202487E+001 579 50 155 191 1 0 190 44 5 4 0 15546 105 0 278 278 3 447 278 0 + 2.43E+04 1.00000000E+002 6.65202325E+001 579 50 155 191 1 0 190 44 5 4 0 15546 105 0 278 278 3 447 278 0 2.52E+04 1.00000000E+002 1.00000000E+002 579 50 164 201 1 0 200 45 4 4 0 15546 105 0 304 304 3 483 304 0 2.61E+04 1.00000000E+002 1.00000000E+002 579 50 173 210 1 0 209 45 4 4 0 15546 105 0 322 322 3 510 322 0 2.70E+04 1.00000000E+002 1.00000000E+002 579 50 182 219 1 0 218 46 4 5 0 15546 105 0 333 333 4 530 333 0 @@ -23,9 +23,9 @@ 4.32E+04 1.00000000E+002 1.00000000E+002 579 50 344 381 1 0 380 54 4 5 0 15546 105 0 528 528 6 887 528 0 4.41E+04 1.00000000E+002 1.00000000E+002 579 50 353 390 1 0 389 54 4 4 0 15546 105 0 561 561 6 929 561 0 4.50E+04 1.00000000E+002 1.00000000E+002 579 50 362 399 1 0 398 55 4 4 0 15546 105 0 590 590 7 967 590 0 - 4.59E+04 6.58728262E+001 6.58728262E+001 579 50 372 415 2 0 414 56 4 4 0 15546 105 0 644 644 7 1037 644 0 - 4.68E+04 2.50109535E+001 2.50109535E+001 579 50 390 441 4 0 440 58 4 4 0 15546 105 0 766 766 7 1185 766 0 - 4.77E+04 1.00000000E+002 1.00000000E+002 579 50 476 592 30 0 591 107 4 4 0 15546 105 0 923 923 9 1469 923 0 - 4.86E+04 1.00000000E+002 1.00000000E+002 579 50 485 601 30 0 600 107 4 4 0 15546 105 0 941 941 9 1496 941 0 - 4.95E+04 1.00000000E+002 1.00000000E+002 579 50 494 610 30 0 609 107 4 4 0 15546 105 0 958 958 9 1522 958 0 - 5.04E+04 1.00000000E+002 1.00000000E+002 579 50 503 619 30 0 618 108 4 4 0 15546 105 0 970 970 9 1543 970 0 + 4.59E+04 6.58728341E+001 6.58728341E+001 579 50 372 415 2 0 414 56 4 4 0 15546 105 0 644 644 7 1037 644 0 + 4.68E+04 2.50109550E+001 2.50109550E+001 579 50 390 441 4 0 440 58 4 4 0 15546 105 0 766 766 7 1185 766 0 + 4.77E+04 1.00000000E+002 1.00000000E+002 579 50 509 636 32 0 635 116 4 4 0 15546 105 0 959 959 9 1541 959 0 + 4.86E+04 1.00000000E+002 1.00000000E+002 579 50 518 645 32 0 644 116 4 4 0 15546 105 0 977 977 9 1568 977 0 + 4.95E+04 1.00000000E+002 1.00000000E+002 579 50 527 654 32 0 653 116 4 5 0 15546 105 0 995 995 9 1595 995 0 + 5.04E+04 1.00000000E+002 1.00000000E+002 579 50 536 663 32 0 662 117 4 4 0 15546 105 0 1004 1004 10 1613 1004 0 diff --git a/tests/model_tests/spec_model_func/output/photolysisRates.output.cmp b/tests/model_tests/spec_model_func/output/photolysisRates.output.cmp index 50336850a..b814fb247 100644 --- a/tests/model_tests/spec_model_func/output/photolysisRates.output.cmp +++ 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2.824903E-007 1.674180E-006 2.506054E-006 1.503453E-006 6.787442E-006 2.710530E-007 2.710530E-007 1.390015E-004 3.255734E-008 3.029660E-007 4.475267E-007 4.474159E-007 2.622290E-005 3.953548E-006 4.700204E-006 5.426574E-005 1.177402E-004 1.021137E-006 9.587243E-008 9.534660E-008 1.362886E-007 2.641604E-007 9.064331E-007 2.823245E-006 1.357409E-004 + 4.410000E+004 3.150515E-007 1.952581E-004 7.708301E-007 2.002538E-003 1.088738E-002 7.168063E-002 3.971175E-004 2.615198E-008 2.210694E-006 6.053477E-006 1.231199E-007 8.128936E-007 1.338295E-006 8.028812E-007 3.551521E-006 1.697272E-007 1.697272E-007 8.703960E-005 1.529486E-008 1.427882E-007 2.809867E-007 2.809172E-007 1.984617E-005 2.992146E-006 2.705742E-006 4.028432E-005 8.718474E-005 6.055379E-007 4.772352E-008 4.537523E-008 6.626737E-008 1.333567E-007 4.789341E-007 1.421679E-006 8.592626E-005 + 4.500000E+004 5.376321E-008 1.446703E-004 3.052414E-007 9.772668E-004 7.934728E-003 5.044894E-002 1.833181E-004 8.008980E-009 7.253624E-007 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2.471689E-020 1.952246E-018 1.711149E-024 2.479445E-021 4.720072E-020 2.831705E-020 1.553173E-020 5.754796E-019 5.754796E-019 2.951177E-016 1.724890E-020 8.091550E-023 1.132080E-018 1.131799E-018 5.397486E-013 8.137626E-014 1.373825E-018 5.394902E-013 6.868500E-013 4.528449E-018 3.372914E-021 5.858660E-022 1.777924E-021 1.263355E-020 1.217022E-019 7.922926E-020 3.271563E-015 4.770000E+004 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 4.860000E+004 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 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b/tests/model_tests/spec_model_func/output/photolysisRatesParameters.output.cmp index ac7f73da2..575715496 100644 --- a/tests/model_tests/spec_model_func/output/photolysisRatesParameters.output.cmp +++ b/tests/model_tests/spec_model_func/output/photolysisRatesParameters.output.cmp @@ -1,8 +1,8 @@ t latitude longitude secx cosx lha sinld cosld eqtime 2.340000E+004 -7.326000E+000 -7.244900E+001 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 - 2.430000E+004 -7.326000E+000 -7.244900E+001 1.014205E+000 9.859942E-001 -3.751710E-002 3.663024E-002 9.500325E-001 6.973437E-002 - 2.520000E+004 -7.326000E+000 -7.244900E+001 1.013898E+000 9.862922E-001 2.793274E-002 3.663024E-002 9.500325E-001 6.973437E-002 - 2.610000E+004 -7.326000E+000 -7.244900E+001 1.017787E+000 9.825235E-001 9.338259E-002 3.663024E-002 9.500325E-001 6.973437E-002 + 2.430000E+004 -7.326000E+000 -7.244900E+001 1.014205E+000 9.859942E-001 -3.751711E-002 3.663024E-002 9.500325E-001 6.973437E-002 + 2.520000E+004 -7.326000E+000 -7.244900E+001 1.013898E+000 9.862922E-001 2.793273E-002 3.663024E-002 9.500325E-001 6.973437E-002 + 2.610000E+004 -7.326000E+000 -7.244900E+001 1.017787E+000 9.825235E-001 9.338258E-002 3.663024E-002 9.500325E-001 6.973437E-002 2.700000E+004 -7.326000E+000 -7.244900E+001 1.025952E+000 9.747044E-001 1.588324E-001 3.663024E-002 9.500325E-001 6.973437E-002 2.790000E+004 -7.326000E+000 -7.244900E+001 1.038564E+000 9.628682E-001 2.242823E-001 3.663024E-002 9.500325E-001 6.973437E-002 2.880000E+004 -7.326000E+000 -7.244900E+001 1.055893E+000 9.470658E-001 2.897321E-001 3.663024E-002 9.500325E-001 6.973437E-002 @@ -12,20 +12,20 @@ 3.240000E+004 -7.326000E+000 -7.244900E+001 1.182320E+000 8.457948E-001 5.515315E-001 3.663024E-002 9.500325E-001 6.973437E-002 3.330000E+004 -7.326000E+000 -7.244900E+001 1.232280E+000 8.115040E-001 6.169814E-001 3.663024E-002 9.500325E-001 6.973437E-002 3.420000E+004 -7.326000E+000 -7.244900E+001 1.292165E+000 7.738951E-001 6.824312E-001 3.663024E-002 9.500325E-001 6.973437E-002 - 3.510000E+004 -7.326000E+000 -7.244900E+001 1.364016E+000 7.331291E-001 7.478811E-001 3.663024E-002 9.500325E-001 6.973437E-002 + 3.510000E+004 -7.326000E+000 -7.244900E+001 1.364016E+000 7.331291E-001 7.478810E-001 3.663024E-002 9.500325E-001 6.973437E-002 3.600000E+004 -7.326000E+000 -7.244900E+001 1.450578E+000 6.893806E-001 8.133309E-001 3.663024E-002 9.500325E-001 6.973437E-002 - 3.690000E+004 -7.326000E+000 -7.244900E+001 1.555605E+000 6.428369E-001 8.787808E-001 3.663024E-002 9.500325E-001 6.973437E-002 + 3.690000E+004 -7.326000E+000 -7.244900E+001 1.555605E+000 6.428369E-001 8.787807E-001 3.663024E-002 9.500325E-001 6.973437E-002 3.780000E+004 -7.326000E+000 -7.244900E+001 1.684360E+000 5.936973E-001 9.442306E-001 3.663024E-002 9.500325E-001 6.973437E-002 3.870000E+004 -7.326000E+000 -7.244900E+001 1.844432E+000 5.421723E-001 1.009680E+000 3.663024E-002 9.500325E-001 6.973437E-002 3.960000E+004 -7.326000E+000 -7.244900E+001 2.047156E+000 4.884825E-001 1.075130E+000 3.663024E-002 9.500325E-001 6.973437E-002 - 4.050000E+004 -7.326000E+000 -7.244900E+001 2.310228E+000 4.328577E-001 1.140580E+000 3.663024E-002 9.500325E-001 6.973437E-002 + 4.050000E+004 -7.326000E+000 -7.244900E+001 2.310228E+000 4.328578E-001 1.140580E+000 3.663024E-002 9.500325E-001 6.973437E-002 4.140000E+004 -7.326000E+000 -7.244900E+001 2.662858E+000 3.755363E-001 1.206030E+000 3.663024E-002 9.500325E-001 6.973437E-002 4.230000E+004 -7.326000E+000 -7.244900E+001 3.156928E+000 3.167636E-001 1.271480E+000 3.663024E-002 9.500325E-001 6.973437E-002 4.320000E+004 -7.326000E+000 -7.244900E+001 3.894212E+000 2.567914E-001 1.336930E+000 3.663024E-002 9.500325E-001 6.973437E-002 4.410000E+004 -7.326000E+000 -7.244900E+001 5.105261E+000 1.958764E-001 1.402380E+000 3.663024E-002 9.500325E-001 6.973437E-002 - 4.500000E+004 -7.326000E+000 -7.244900E+001 7.447157E+000 1.342794E-001 1.467829E+000 3.663024E-002 9.500325E-001 6.973437E-002 - 4.590000E+004 -7.326000E+000 -7.244900E+001 1.337171E+001 7.478477E-002 1.530624E+000 3.663024E-002 9.500325E-001 6.973437E-002 - 4.680000E+004 -7.326000E+000 -7.244900E+001 8.991747E+001 1.112131E-002 1.597650E+000 3.663024E-002 9.500325E-001 6.973437E-002 - 4.770000E+004 -7.326000E+000 -7.244900E+001 1.000000E+002 0.000000E+000 1.665776E+000 3.663024E-002 9.500325E-001 6.973437E-002 - 4.860000E+004 -7.326000E+000 -7.244900E+001 1.000000E+002 0.000000E+000 1.731226E+000 3.663024E-002 9.500325E-001 6.973437E-002 - 4.950000E+004 -7.326000E+000 -7.244900E+001 1.000000E+002 0.000000E+000 1.796675E+000 3.663024E-002 9.500325E-001 6.973437E-002 + 4.500000E+004 -7.326000E+000 -7.244900E+001 7.447156E+000 1.342794E-001 1.467829E+000 3.663024E-002 9.500325E-001 6.973437E-002 + 4.590000E+004 -7.326000E+000 -7.244900E+001 1.337170E+001 7.478478E-002 1.530624E+000 3.663024E-002 9.500325E-001 6.973437E-002 + 4.680000E+004 -7.326000E+000 -7.244900E+001 8.991746E+001 1.112131E-002 1.597650E+000 3.663024E-002 9.500325E-001 6.973437E-002 + 4.770000E+004 -7.326000E+000 -7.244900E+001 1.000000E+002 0.000000E+000 1.665852E+000 3.663024E-002 9.500325E-001 6.973437E-002 + 4.860000E+004 -7.326000E+000 -7.244900E+001 1.000000E+002 0.000000E+000 1.731302E+000 3.663024E-002 9.500325E-001 6.973437E-002 + 4.950000E+004 -7.326000E+000 -7.244900E+001 1.000000E+002 0.000000E+000 1.796751E+000 3.663024E-002 9.500325E-001 6.973437E-002 diff --git a/tests/model_tests/spec_model_func/output/productionRates.output.cmp b/tests/model_tests/spec_model_func/output/productionRates.output.cmp index 75d2580d5..769110665 100644 --- a/tests/model_tests/spec_model_func/output/productionRates.output.cmp +++ b/tests/model_tests/spec_model_func/output/productionRates.output.cmp @@ -8,12 +8,12 @@ 2.700000E+004 8 OH 46 8.259176E+003 HNO3=OH+NO2 2.700000E+004 8 OH 64 2.532358E+002 CH2OOA=HO2+CO+OH 2.700000E+004 8 OH 73 1.193158E-006 ETHO2HNO3+OH=NO3CH2CHO+OH - 2.700000E+004 8 OH 74 7.872378E-007 ETHO2HNO3=ETHENO3O+OH + 2.700000E+004 8 OH 74 7.872377E-007 ETHO2HNO3=ETHENO3O+OH 2.700000E+004 8 OH 88 4.060893E+000 HYETHO2H+OH=HOCH2CHO+OH 2.700000E+004 8 OH 89 3.145324E-001 HYETHO2H=HOCH2CH2O+OH - 2.700000E+004 8 OH 97 5.037550E-007 NO3CH2CO3+HO2=HCHO+NO2+OH + 2.700000E+004 8 OH 97 5.037549E-007 NO3CH2CO3+HO2=HCHO+NO2+OH 2.700000E+004 8 OH 107 1.366702E-001 HOCH2CO3+HO2=HO2+HCHO+OH - 2.700000E+004 8 OH 122 4.169128E-009 NO3CH2CO3H=HCHO+NO2+OH + 2.700000E+004 8 OH 122 4.169127E-009 NO3CH2CO3H=HCHO+NO2+OH 2.700000E+004 8 OH 127 1.005184E-003 HOCH2CO3H=HCHO+HO2+OH 2.700000E+004 8 OH 132 3.861569E+001 HCOCO=CO+OH 2.700000E+004 8 OH 136 2.442872E-004 HCOCO3+HO2=HO2+CO+OH @@ -26,15 +26,15 @@ 2.700000E+004 9 HO2 26 7.422233E+001 OH+NO3=HO2+NO2 2.700000E+004 9 HO2 35 0.000000E+000 HSO3=HO2+SO3 2.700000E+004 9 HO2 48 5.846925E+005 HO2NO2=HO2+NO2 - 2.700000E+004 9 HO2 58 2.617403E+004 HCHO=CO+HO2+HO2 + 2.700000E+004 9 HO2 58 2.617402E+004 HCHO=CO+HO2+HO2 2.700000E+004 9 HO2 60 1.595827E-001 NO3+HCHO=HNO3+CO+HO2 2.700000E+004 9 HO2 61 1.871710E+004 OH+HCHO=HO2+CO 2.700000E+004 9 HO2 64 2.532358E+002 CH2OOA=HO2+CO+OH - 2.700000E+004 9 HO2 76 2.464991E-001 ETHENO3O=NO3CH2CHO+HO2 - 2.700000E+004 9 HO2 90 7.281123E+004 HOCH2CH2O=HO2+HCHO+HCHO + 2.700000E+004 9 HO2 76 2.464992E-001 ETHENO3O=NO3CH2CHO+HO2 + 2.700000E+004 9 HO2 90 7.281122E+004 HOCH2CH2O=HO2+HCHO+HCHO 2.700000E+004 9 HO2 91 2.834978E+004 HOCH2CH2O=HO2+HOCH2CHO - 2.700000E+004 9 HO2 92 2.093661E-003 ETHGLY+OH=HOCH2CHO+HO2 - 2.700000E+004 9 HO2 94 8.973135E+002 HOCH2CHO+OH=GLYOX+HO2 + 2.700000E+004 9 HO2 92 2.093660E-003 ETHGLY+OH=HOCH2CHO+HO2 + 2.700000E+004 9 HO2 94 8.973134E+002 HOCH2CHO+OH=GLYOX+HO2 2.700000E+004 9 HO2 96 3.284890E+003 HOCH2CHO=HO2+HCHO+HO2+CO 2.700000E+004 9 HO2 105 9.567411E-002 HCOCH2O=HCHO+CO+HO2 2.700000E+004 9 HO2 106 4.150924E+000 HCOOH+OH=HO2 @@ -42,18 +42,18 @@ 2.700000E+004 9 HO2 110 2.561827E+003 HOCH2CO3+NO=NO2+HO2+HCHO 2.700000E+004 9 HO2 112 5.462221E-003 HOCH2CO3+NO3=NO2+HO2+HCHO 2.700000E+004 9 HO2 113 2.316530E-003 HOCH2CO3=HCHO+HO2 - 2.700000E+004 9 HO2 116 6.983917E+001 GLYOX=CO+CO+HO2+HO2 - 2.700000E+004 9 HO2 125 9.829209E-004 HOCH2CO2H+OH=HCHO+HO2 + 2.700000E+004 9 HO2 116 6.983916E+001 GLYOX=CO+CO+HO2+HO2 + 2.700000E+004 9 HO2 125 9.829207E-004 HOCH2CO2H+OH=HCHO+HO2 2.700000E+004 9 HO2 127 1.005184E-003 HOCH2CO3H=HCHO+HO2+OH - 2.700000E+004 9 HO2 130 7.869986E+000 HCOCO=CO+CO+HO2 + 2.700000E+004 9 HO2 130 7.869985E+000 HCOCO=CO+CO+HO2 2.700000E+004 9 HO2 131 1.422218E+001 HCOCO=CO+CO+HO2 2.700000E+004 9 HO2 136 2.442872E-004 HCOCO3+HO2=HO2+CO+OH 2.700000E+004 9 HO2 137 4.579063E+000 HCOCO3+NO=HO2+CO+NO2 2.700000E+004 9 HO2 138 2.313242E+000 HCOCO3+NO2=HO2+CO+NO3 - 2.700000E+004 9 HO2 139 9.763289E-006 HCOCO3+NO3=HO2+CO+NO2 - 2.700000E+004 9 HO2 140 4.140615E-006 HCOCO3=CO+HO2 + 2.700000E+004 9 HO2 139 9.763288E-006 HCOCO3+NO3=HO2+CO+NO2 + 2.700000E+004 9 HO2 140 4.140614E-006 HCOCO3=CO+HO2 2.700000E+004 9 HO2 142 1.883629E-005 HCOCO2H=HO2+HO2+CO - 2.700000E+004 9 HO2 143 4.949327E-006 OH+HCOCO2H=CO+HO2 + 2.700000E+004 9 HO2 143 4.949326E-006 OH+HCOCO2H=CO+HO2 2.700000E+004 9 HO2 144 1.220270E-006 HCOCO3H=HO2+CO+OH 2.700000E+004 9 HO2 145 4.179358E-006 HCOCO3H=HO2+CO+OH 3.060000E+004 8 OH 15 3.396742E+006 O1D=OH+OH @@ -67,17 +67,17 @@ 3.060000E+004 8 OH 73 2.452812E-006 ETHO2HNO3+OH=NO3CH2CHO+OH 3.060000E+004 8 OH 74 1.583425E-006 ETHO2HNO3=ETHENO3O+OH 3.060000E+004 8 OH 88 7.870969E+000 HYETHO2H+OH=HOCH2CHO+OH - 3.060000E+004 8 OH 89 5.964822E-001 HYETHO2H=HOCH2CH2O+OH + 3.060000E+004 8 OH 89 5.964821E-001 HYETHO2H=HOCH2CH2O+OH 3.060000E+004 8 OH 97 9.395930E-007 NO3CH2CO3+HO2=HCHO+NO2+OH 3.060000E+004 8 OH 107 2.946403E-001 HOCH2CO3+HO2=HO2+HCHO+OH - 3.060000E+004 8 OH 122 1.617308E-008 NO3CH2CO3H=HCHO+NO2+OH + 3.060000E+004 8 OH 122 1.617307E-008 NO3CH2CO3H=HCHO+NO2+OH 3.060000E+004 8 OH 127 4.511439E-003 HOCH2CO3H=HCHO+HO2+OH - 3.060000E+004 8 OH 132 1.243111E+002 HCOCO=CO+OH - 3.060000E+004 8 OH 136 9.478962E-004 HCOCO3+HO2=HO2+CO+OH - 3.060000E+004 8 OH 144 9.740414E-006 HCOCO3H=HO2+CO+OH - 3.060000E+004 8 OH 145 3.289568E-005 HCOCO3H=HO2+CO+OH + 3.060000E+004 8 OH 132 1.243110E+002 HCOCO=CO+OH + 3.060000E+004 8 OH 136 9.478961E-004 HCOCO3+HO2=HO2+CO+OH + 3.060000E+004 8 OH 144 9.740413E-006 HCOCO3H=HO2+CO+OH + 3.060000E+004 8 OH 145 3.289567E-005 HCOCO3H=HO2+CO+OH 3.060000E+004 9 HO2 16 2.125165E+005 OH+O3=HO2 - 3.060000E+004 9 HO2 17 3.803105E+000 OH+H2=HO2 + 3.060000E+004 9 HO2 17 3.803104E+000 OH+H2=HO2 3.060000E+004 9 HO2 18 5.371256E+006 OH+CO=HO2 3.060000E+004 9 HO2 19 5.041078E+001 OH+H2O2=HO2 3.060000E+004 9 HO2 26 7.473717E+001 OH+NO3=HO2+NO2 @@ -88,31 +88,31 @@ 3.060000E+004 9 HO2 61 2.909829E+004 OH+HCHO=HO2+CO 3.060000E+004 9 HO2 64 2.194666E+002 CH2OOA=HO2+CO+OH 3.060000E+004 9 HO2 76 2.242522E-001 ETHENO3O=NO3CH2CHO+HO2 - 3.060000E+004 9 HO2 90 5.931358E+004 HOCH2CH2O=HO2+HCHO+HCHO + 3.060000E+004 9 HO2 90 5.931359E+004 HOCH2CH2O=HO2+HCHO+HCHO 3.060000E+004 9 HO2 91 2.309434E+004 HOCH2CH2O=HO2+HOCH2CHO 3.060000E+004 9 HO2 92 3.859513E-003 ETHGLY+OH=HOCH2CHO+HO2 - 3.060000E+004 9 HO2 94 1.487621E+003 HOCH2CHO+OH=GLYOX+HO2 + 3.060000E+004 9 HO2 94 1.487620E+003 HOCH2CHO+OH=GLYOX+HO2 3.060000E+004 9 HO2 96 5.254143E+003 HOCH2CHO=HO2+HCHO+HO2+CO 3.060000E+004 9 HO2 105 1.288851E-001 HCOCH2O=HCHO+CO+HO2 3.060000E+004 9 HO2 106 7.295505E+000 HCOOH+OH=HO2 3.060000E+004 9 HO2 107 2.946403E-001 HOCH2CO3+HO2=HO2+HCHO+OH 3.060000E+004 9 HO2 110 4.518112E+003 HOCH2CO3+NO=NO2+HO2+HCHO 3.060000E+004 9 HO2 112 1.159847E-002 HOCH2CO3+NO3=NO2+HO2+HCHO - 3.060000E+004 9 HO2 113 4.342582E-003 HOCH2CO3=HCHO+HO2 + 3.060000E+004 9 HO2 113 4.342581E-003 HOCH2CO3=HCHO+HO2 3.060000E+004 9 HO2 116 2.204154E+002 GLYOX=CO+CO+HO2+HO2 - 3.060000E+004 9 HO2 125 4.619565E-003 HOCH2CO2H+OH=HCHO+HO2 + 3.060000E+004 9 HO2 125 4.619564E-003 HOCH2CO2H+OH=HCHO+HO2 3.060000E+004 9 HO2 127 4.511439E-003 HOCH2CO3H=HCHO+HO2+OH - 3.060000E+004 9 HO2 130 2.533495E+001 HCOCO=CO+CO+HO2 - 3.060000E+004 9 HO2 131 4.578383E+001 HCOCO=CO+CO+HO2 - 3.060000E+004 9 HO2 136 9.478962E-004 HCOCO3+HO2=HO2+CO+OH - 3.060000E+004 9 HO2 137 1.453536E+001 HCOCO3+NO=HO2+CO+NO2 + 3.060000E+004 9 HO2 130 2.533494E+001 HCOCO=CO+CO+HO2 + 3.060000E+004 9 HO2 131 4.578382E+001 HCOCO=CO+CO+HO2 + 3.060000E+004 9 HO2 136 9.478961E-004 HCOCO3+HO2=HO2+CO+OH + 3.060000E+004 9 HO2 137 1.453535E+001 HCOCO3+NO=HO2+CO+NO2 3.060000E+004 9 HO2 138 7.722796E+000 HCOCO3+NO2=HO2+CO+NO3 3.060000E+004 9 HO2 139 3.731379E-005 HCOCO3+NO3=HO2+CO+NO2 3.060000E+004 9 HO2 140 1.397065E-005 HCOCO3=CO+HO2 3.060000E+004 9 HO2 142 1.474739E-004 HCOCO2H=HO2+HO2+CO 3.060000E+004 9 HO2 143 3.788601E-005 OH+HCOCO2H=CO+HO2 - 3.060000E+004 9 HO2 144 9.740414E-006 HCOCO3H=HO2+CO+OH - 3.060000E+004 9 HO2 145 3.289568E-005 HCOCO3H=HO2+CO+OH + 3.060000E+004 9 HO2 144 9.740413E-006 HCOCO3H=HO2+CO+OH + 3.060000E+004 9 HO2 145 3.289567E-005 HCOCO3H=HO2+CO+OH 3.420000E+004 8 OH 15 2.392025E+006 O1D=OH+OH 3.420000E+004 8 OH 20 1.214561E+004 HO2+O3=OH 3.420000E+004 8 OH 27 4.356926E+006 HO2+NO=OH+NO2 @@ -123,16 +123,16 @@ 3.420000E+004 8 OH 64 1.938783E+002 CH2OOA=HO2+CO+OH 3.420000E+004 8 OH 73 2.841066E-006 ETHO2HNO3+OH=NO3CH2CHO+OH 3.420000E+004 8 OH 74 2.054624E-006 ETHO2HNO3=ETHENO3O+OH - 3.420000E+004 8 OH 88 7.756254E+000 HYETHO2H+OH=HOCH2CHO+OH - 3.420000E+004 8 OH 89 6.584743E-001 HYETHO2H=HOCH2CH2O+OH + 3.420000E+004 8 OH 88 7.756253E+000 HYETHO2H+OH=HOCH2CHO+OH + 3.420000E+004 8 OH 89 6.584742E-001 HYETHO2H=HOCH2CH2O+OH 3.420000E+004 8 OH 97 9.459267E-007 NO3CH2CO3+HO2=HCHO+NO2+OH 3.420000E+004 8 OH 107 2.960771E-001 HOCH2CO3+HO2=HO2+HCHO+OH 3.420000E+004 8 OH 122 2.708045E-008 NO3CH2CO3H=HCHO+NO2+OH - 3.420000E+004 8 OH 127 7.858380E-003 HOCH2CO3H=HCHO+HO2+OH + 3.420000E+004 8 OH 127 7.858379E-003 HOCH2CO3H=HCHO+HO2+OH 3.420000E+004 8 OH 132 1.535237E+002 HCOCO=CO+OH 3.420000E+004 8 OH 136 1.128296E-003 HCOCO3+HO2=HO2+CO+OH 3.420000E+004 8 OH 144 2.047918E-005 HCOCO3H=HO2+CO+OH - 3.420000E+004 8 OH 145 6.711531E-005 HCOCO3H=HO2+CO+OH + 3.420000E+004 8 OH 145 6.711530E-005 HCOCO3H=HO2+CO+OH 3.420000E+004 9 HO2 16 1.633187E+005 OH+O3=HO2 3.420000E+004 9 HO2 17 5.422633E+000 OH+H2=HO2 3.420000E+004 9 HO2 18 4.080574E+006 OH+CO=HO2 @@ -140,13 +140,13 @@ 3.420000E+004 9 HO2 26 6.256677E+001 OH+NO3=HO2+NO2 3.420000E+004 9 HO2 35 0.000000E+000 HSO3=HO2+SO3 3.420000E+004 9 HO2 48 4.897041E+005 HO2NO2=HO2+NO2 - 3.420000E+004 9 HO2 58 3.774531E+004 HCHO=CO+HO2+HO2 + 3.420000E+004 9 HO2 58 3.774530E+004 HCHO=CO+HO2+HO2 3.420000E+004 9 HO2 60 3.510543E-001 NO3+HCHO=HNO3+CO+HO2 3.420000E+004 9 HO2 61 2.558343E+004 OH+HCHO=HO2+CO 3.420000E+004 9 HO2 64 1.938783E+002 CH2OOA=HO2+CO+OH 3.420000E+004 9 HO2 76 2.158054E-001 ETHENO3O=NO3CH2CHO+HO2 3.420000E+004 9 HO2 90 3.960824E+004 HOCH2CH2O=HO2+HCHO+HCHO - 3.420000E+004 9 HO2 91 1.542187E+004 HOCH2CH2O=HO2+HOCH2CHO + 3.420000E+004 9 HO2 91 1.542186E+004 HOCH2CH2O=HO2+HOCH2CHO 3.420000E+004 9 HO2 92 3.652461E-003 ETHGLY+OH=HOCH2CHO+HO2 3.420000E+004 9 HO2 94 1.387170E+003 HOCH2CHO+OH=GLYOX+HO2 3.420000E+004 9 HO2 96 5.326043E+003 HOCH2CHO=HO2+HCHO+HO2+CO @@ -157,9 +157,9 @@ 3.420000E+004 9 HO2 112 1.466094E-002 HOCH2CO3+NO3=NO2+HO2+HCHO 3.420000E+004 9 HO2 113 3.879663E-003 HOCH2CO3=HCHO+HO2 3.420000E+004 9 HO2 116 3.040167E+002 GLYOX=CO+CO+HO2+HO2 - 3.420000E+004 9 HO2 125 7.350617E-003 HOCH2CO2H+OH=HCHO+HO2 - 3.420000E+004 9 HO2 127 7.858380E-003 HOCH2CO3H=HCHO+HO2+OH - 3.420000E+004 9 HO2 130 3.128857E+001 HCOCO=CO+CO+HO2 + 3.420000E+004 9 HO2 125 7.350616E-003 HOCH2CO2H+OH=HCHO+HO2 + 3.420000E+004 9 HO2 127 7.858379E-003 HOCH2CO3H=HCHO+HO2+OH + 3.420000E+004 9 HO2 130 3.128856E+001 HCOCO=CO+CO+HO2 3.420000E+004 9 HO2 131 5.654287E+001 HCOCO=CO+CO+HO2 3.420000E+004 9 HO2 136 1.128296E-003 HCOCO3+HO2=HO2+CO+OH 3.420000E+004 9 HO2 137 1.727634E+001 HCOCO3+NO=HO2+CO+NO2 @@ -167,9 +167,9 @@ 3.420000E+004 9 HO2 139 5.587019E-005 HCOCO3+NO3=HO2+CO+NO2 3.420000E+004 9 HO2 140 1.478470E-005 HCOCO3=CO+HO2 3.420000E+004 9 HO2 142 3.128734E-004 HCOCO2H=HO2+HO2+CO - 3.420000E+004 9 HO2 143 6.539885E-005 OH+HCOCO2H=CO+HO2 + 3.420000E+004 9 HO2 143 6.539884E-005 OH+HCOCO2H=CO+HO2 3.420000E+004 9 HO2 144 2.047918E-005 HCOCO3H=HO2+CO+OH - 3.420000E+004 9 HO2 145 6.711531E-005 HCOCO3H=HO2+CO+OH + 3.420000E+004 9 HO2 145 6.711530E-005 HCOCO3H=HO2+CO+OH 3.780000E+004 8 OH 15 1.253850E+006 O1D=OH+OH 3.780000E+004 8 OH 20 7.849545E+003 HO2+O3=OH 3.780000E+004 8 OH 27 2.407412E+006 HO2+NO=OH+NO2 @@ -178,15 +178,15 @@ 3.780000E+004 8 OH 45 1.005338E+006 HONO=OH+NO 3.780000E+004 8 OH 46 1.206195E+004 HNO3=OH+NO2 3.780000E+004 8 OH 64 1.776933E+002 CH2OOA=HO2+CO+OH - 3.780000E+004 8 OH 73 2.033180E-006 ETHO2HNO3+OH=NO3CH2CHO+OH - 3.780000E+004 8 OH 74 1.993259E-006 ETHO2HNO3=ETHENO3O+OH + 3.780000E+004 8 OH 73 2.033181E-006 ETHO2HNO3+OH=NO3CH2CHO+OH + 3.780000E+004 8 OH 74 1.993260E-006 ETHO2HNO3=ETHENO3O+OH 3.780000E+004 8 OH 88 4.513372E+000 HYETHO2H+OH=HOCH2CHO+OH 3.780000E+004 8 OH 89 5.194275E-001 HYETHO2H=HOCH2CH2O+OH - 3.780000E+004 8 OH 97 5.390767E-007 NO3CH2CO3+HO2=HCHO+NO2+OH + 3.780000E+004 8 OH 97 5.390768E-007 NO3CH2CO3+HO2=HCHO+NO2+OH 3.780000E+004 8 OH 107 1.519909E-001 HOCH2CO3+HO2=HO2+HCHO+OH 3.780000E+004 8 OH 122 2.756230E-008 NO3CH2CO3H=HCHO+NO2+OH 3.780000E+004 8 OH 127 7.898782E-003 HOCH2CO3H=HCHO+HO2+OH - 3.780000E+004 8 OH 132 9.785523E+001 HCOCO=CO+OH + 3.780000E+004 8 OH 132 9.785546E+001 HCOCO=CO+OH 3.780000E+004 8 OH 136 5.104886E-004 HCOCO3+HO2=HO2+CO+OH 3.780000E+004 8 OH 144 2.068037E-005 HCOCO3H=HO2+CO+OH 3.780000E+004 8 OH 145 6.410007E-005 HCOCO3H=HO2+CO+OH @@ -201,50 +201,50 @@ 3.780000E+004 9 HO2 60 4.136801E-001 NO3+HCHO=HNO3+CO+HO2 3.780000E+004 9 HO2 61 1.426505E+004 OH+HCHO=HO2+CO 3.780000E+004 9 HO2 64 1.776933E+002 CH2OOA=HO2+CO+OH - 3.780000E+004 9 HO2 76 2.302334E-001 ETHENO3O=NO3CH2CHO+HO2 - 3.780000E+004 9 HO2 90 2.007526E+004 HOCH2CH2O=HO2+HCHO+HCHO - 3.780000E+004 9 HO2 91 7.816503E+003 HOCH2CH2O=HO2+HOCH2CHO - 3.780000E+004 9 HO2 92 2.091059E-003 ETHGLY+OH=HOCH2CHO+HO2 + 3.780000E+004 9 HO2 76 2.302335E-001 ETHENO3O=NO3CH2CHO+HO2 + 3.780000E+004 9 HO2 90 2.007516E+004 HOCH2CH2O=HO2+HCHO+HCHO + 3.780000E+004 9 HO2 91 7.816464E+003 HOCH2CH2O=HO2+HOCH2CHO + 3.780000E+004 9 HO2 92 2.091058E-003 ETHGLY+OH=HOCH2CHO+HO2 3.780000E+004 9 HO2 94 8.191962E+002 HOCH2CHO+OH=GLYOX+HO2 - 3.780000E+004 9 HO2 96 4.032656E+003 HOCH2CHO=HO2+HCHO+HO2+CO + 3.780000E+004 9 HO2 96 4.032655E+003 HOCH2CHO=HO2+HCHO+HO2+CO 3.780000E+004 9 HO2 105 1.031314E-001 HCOCH2O=HCHO+CO+HO2 3.780000E+004 9 HO2 106 5.393641E+000 HCOOH+OH=HO2 3.780000E+004 9 HO2 107 1.519909E-001 HOCH2CO3+HO2=HO2+HCHO+OH - 3.780000E+004 9 HO2 110 3.087939E+003 HOCH2CO3+NO=NO2+HO2+HCHO + 3.780000E+004 9 HO2 110 3.087938E+003 HOCH2CO3+NO=NO2+HO2+HCHO 3.780000E+004 9 HO2 112 1.360217E-002 HOCH2CO3+NO3=NO2+HO2+HCHO 3.780000E+004 9 HO2 113 1.844002E-003 HOCH2CO3=HCHO+HO2 - 3.780000E+004 9 HO2 116 2.631728E+002 GLYOX=CO+CO+HO2+HO2 + 3.780000E+004 9 HO2 116 2.631727E+002 GLYOX=CO+CO+HO2+HO2 3.780000E+004 9 HO2 125 5.562444E-003 HOCH2CO2H+OH=HCHO+HO2 3.780000E+004 9 HO2 127 7.898782E-003 HOCH2CO3H=HCHO+HO2+OH - 3.780000E+004 9 HO2 130 1.994317E+001 HCOCO=CO+CO+HO2 - 3.780000E+004 9 HO2 131 3.604013E+001 HCOCO=CO+CO+HO2 + 3.780000E+004 9 HO2 130 1.994322E+001 HCOCO=CO+CO+HO2 + 3.780000E+004 9 HO2 131 3.604021E+001 HCOCO=CO+CO+HO2 3.780000E+004 9 HO2 136 5.104886E-004 HCOCO3+HO2=HO2+CO+OH 3.780000E+004 9 HO2 137 1.037140E+001 HCOCO3+NO=HO2+CO+NO2 3.780000E+004 9 HO2 138 7.152689E+000 HCOCO3+NO2=HO2+CO+NO3 - 3.780000E+004 9 HO2 139 4.568533E-005 HCOCO3+NO3=HO2+CO+NO2 + 3.780000E+004 9 HO2 139 4.568532E-005 HCOCO3+NO3=HO2+CO+NO2 3.780000E+004 9 HO2 140 6.193412E-006 HCOCO3=CO+HO2 3.780000E+004 9 HO2 142 3.251979E-004 HCOCO2H=HO2+HO2+CO 3.780000E+004 9 HO2 143 4.257738E-005 OH+HCOCO2H=CO+HO2 3.780000E+004 9 HO2 144 2.068037E-005 HCOCO3H=HO2+CO+OH 3.780000E+004 9 HO2 145 6.410007E-005 HCOCO3H=HO2+CO+OH - 4.140000E+004 8 OH 15 3.488080E+005 O1D=OH+OH + 4.140000E+004 8 OH 15 3.488078E+005 O1D=OH+OH 4.140000E+004 8 OH 20 3.015456E+003 HO2+O3=OH 4.140000E+004 8 OH 27 7.243348E+005 HO2+NO=OH+NO2 4.140000E+004 8 OH 30 1.327229E+001 HO2+NO3=OH+NO2 4.140000E+004 8 OH 41 5.699138E+001 H2O2=OH+OH - 4.140000E+004 8 OH 45 2.940675E+005 HONO=OH+NO + 4.140000E+004 8 OH 45 2.940676E+005 HONO=OH+NO 4.140000E+004 8 OH 46 5.360096E+003 HNO3=OH+NO2 4.140000E+004 8 OH 64 1.688799E+002 CH2OOA=HO2+CO+OH - 4.140000E+004 8 OH 73 7.127871E-007 ETHO2HNO3+OH=NO3CH2CHO+OH - 4.140000E+004 8 OH 74 1.305305E-006 ETHO2HNO3=ETHENO3O+OH + 4.140000E+004 8 OH 73 7.127872E-007 ETHO2HNO3+OH=NO3CH2CHO+OH + 4.140000E+004 8 OH 74 1.305306E-006 ETHO2HNO3=ETHENO3O+OH 4.140000E+004 8 OH 88 1.314729E+000 HYETHO2H+OH=HOCH2CHO+OH 4.140000E+004 8 OH 89 2.826341E-001 HYETHO2H=HOCH2CH2O+OH 4.140000E+004 8 OH 97 1.416239E-007 NO3CH2CO3+HO2=HCHO+NO2+OH 4.140000E+004 8 OH 107 3.517456E-002 HOCH2CO3+HO2=HO2+HCHO+OH 4.140000E+004 8 OH 122 1.692645E-008 NO3CH2CO3H=HCHO+NO2+OH 4.140000E+004 8 OH 127 4.757095E-003 HOCH2CO3H=HCHO+HO2+OH - 4.140000E+004 8 OH 132 3.000590E+001 HCOCO=CO+OH - 4.140000E+004 8 OH 136 6.274271E-005 HCOCO3+HO2=HO2+CO+OH + 4.140000E+004 8 OH 132 3.000533E+001 HCOCO=CO+OH + 4.140000E+004 8 OH 136 6.274272E-005 HCOCO3+HO2=HO2+CO+OH 4.140000E+004 8 OH 144 1.172062E-005 HCOCO3H=HO2+CO+OH 4.140000E+004 8 OH 145 3.241248E-005 HCOCO3H=HO2+CO+OH 4.140000E+004 9 HO2 16 2.664537E+004 OH+O3=HO2 @@ -253,18 +253,18 @@ 4.140000E+004 9 HO2 19 1.230508E+001 OH+H2O2=HO2 4.140000E+004 9 HO2 26 1.664201E+001 OH+NO3=HO2+NO2 4.140000E+004 9 HO2 35 0.000000E+000 HSO3=HO2+SO3 - 4.140000E+004 9 HO2 48 1.384439E+005 HO2NO2=HO2+NO2 + 4.140000E+004 9 HO2 48 1.384440E+005 HO2NO2=HO2+NO2 4.140000E+004 9 HO2 58 1.302993E+004 HCHO=CO+HO2+HO2 4.140000E+004 9 HO2 60 5.514376E-001 NO3+HCHO=HNO3+CO+HO2 4.140000E+004 9 HO2 61 4.089874E+003 OH+HCHO=HO2+CO 4.140000E+004 9 HO2 64 1.688799E+002 CH2OOA=HO2+CO+OH - 4.140000E+004 9 HO2 76 3.065561E-001 ETHENO3O=NO3CH2CHO+HO2 - 4.140000E+004 9 HO2 90 5.494332E+003 HOCH2CH2O=HO2+HCHO+HCHO - 4.140000E+004 9 HO2 91 2.139274E+003 HOCH2CH2O=HO2+HOCH2CHO - 4.140000E+004 9 HO2 92 6.117110E-004 ETHGLY+OH=HOCH2CHO+HO2 + 4.140000E+004 9 HO2 76 3.065559E-001 ETHENO3O=NO3CH2CHO+HO2 + 4.140000E+004 9 HO2 90 5.494683E+003 HOCH2CH2O=HO2+HCHO+HCHO + 4.140000E+004 9 HO2 91 2.139410E+003 HOCH2CH2O=HO2+HOCH2CHO + 4.140000E+004 9 HO2 92 6.117109E-004 ETHGLY+OH=HOCH2CHO+HO2 4.140000E+004 9 HO2 94 2.472522E+002 HOCH2CHO+OH=GLYOX+HO2 4.140000E+004 9 HO2 96 2.028472E+003 HOCH2CHO=HO2+HCHO+HO2+CO - 4.140000E+004 9 HO2 105 6.215673E-002 HCOCH2O=HCHO+CO+HO2 + 4.140000E+004 9 HO2 105 6.215654E-002 HCOCH2O=HCHO+CO+HO2 4.140000E+004 9 HO2 106 1.917289E+000 HCOOH+OH=HO2 4.140000E+004 9 HO2 107 3.517456E-002 HOCH2CO3+HO2=HO2+HCHO+OH 4.140000E+004 9 HO2 110 1.428333E+003 HOCH2CO3+NO=NO2+HO2+HCHO @@ -273,9 +273,9 @@ 4.140000E+004 9 HO2 116 1.393840E+002 GLYOX=CO+CO+HO2+HO2 4.140000E+004 9 HO2 125 1.819212E-003 HOCH2CO2H+OH=HCHO+HO2 4.140000E+004 9 HO2 127 4.757095E-003 HOCH2CO3H=HCHO+HO2+OH - 4.140000E+004 9 HO2 130 6.115286E+000 HCOCO=CO+CO+HO2 - 4.140000E+004 9 HO2 131 1.105119E+001 HCOCO=CO+CO+HO2 - 4.140000E+004 9 HO2 136 6.274271E-005 HCOCO3+HO2=HO2+CO+OH + 4.140000E+004 9 HO2 130 6.115170E+000 HCOCO=CO+CO+HO2 + 4.140000E+004 9 HO2 131 1.105098E+001 HCOCO=CO+CO+HO2 + 4.140000E+004 9 HO2 136 6.274272E-005 HCOCO3+HO2=HO2+CO+OH 4.140000E+004 9 HO2 137 2.547792E+000 HCOCO3+NO=HO2+CO+NO2 4.140000E+004 9 HO2 138 2.504451E+000 HCOCO3+NO2=HO2+CO+NO3 4.140000E+004 9 HO2 139 2.006057E-005 HCOCO3+NO3=HO2+CO+NO2 @@ -284,117 +284,117 @@ 4.140000E+004 9 HO2 143 1.058268E-005 OH+HCOCO2H=CO+HO2 4.140000E+004 9 HO2 144 1.172062E-005 HCOCO3H=HO2+CO+OH 4.140000E+004 9 HO2 145 3.241248E-005 HCOCO3H=HO2+CO+OH - 4.500000E+004 8 OH 15 5.845277E+003 O1D=OH+OH + 4.500000E+004 8 OH 15 5.845280E+003 O1D=OH+OH 4.500000E+004 8 OH 20 4.137510E+002 HO2+O3=OH - 4.500000E+004 8 OH 27 3.288187E+004 HO2+NO=OH+NO2 + 4.500000E+004 8 OH 27 3.288188E+004 HO2+NO=OH+NO2 4.500000E+004 8 OH 30 6.852786E+000 HO2+NO3=OH+NO2 - 4.500000E+004 8 OH 41 7.497904E+000 H2O2=OH+OH - 4.500000E+004 8 OH 45 2.016773E+004 HONO=OH+NO - 4.500000E+004 8 OH 46 3.461632E+002 HNO3=OH+NO2 + 4.500000E+004 8 OH 41 7.497905E+000 H2O2=OH+OH + 4.500000E+004 8 OH 45 2.016774E+004 HONO=OH+NO + 4.500000E+004 8 OH 46 3.461633E+002 HNO3=OH+NO2 4.500000E+004 8 OH 64 1.612858E+002 CH2OOA=HO2+CO+OH - 4.500000E+004 8 OH 73 3.503117E-008 ETHO2HNO3+OH=NO3CH2CHO+OH + 4.500000E+004 8 OH 73 3.503118E-008 ETHO2HNO3+OH=NO3CH2CHO+OH 4.500000E+004 8 OH 74 1.925499E-007 ETHO2HNO3=ETHENO3O+OH - 4.500000E+004 8 OH 88 5.642734E-002 HYETHO2H+OH=HOCH2CHO+OH - 4.500000E+004 8 OH 89 3.640944E-002 HYETHO2H=HOCH2CH2O+OH - 4.500000E+004 8 OH 97 1.379016E-008 NO3CH2CO3+HO2=HCHO+NO2+OH - 4.500000E+004 8 OH 107 3.580825E-003 HOCH2CO3+HO2=HO2+HCHO+OH + 4.500000E+004 8 OH 88 5.642735E-002 HYETHO2H+OH=HOCH2CHO+OH + 4.500000E+004 8 OH 89 3.640945E-002 HYETHO2H=HOCH2CH2O+OH + 4.500000E+004 8 OH 97 1.379017E-008 NO3CH2CO3+HO2=HCHO+NO2+OH + 4.500000E+004 8 OH 107 3.580826E-003 HOCH2CO3+HO2=HO2+HCHO+OH 4.500000E+004 8 OH 122 2.241614E-009 NO3CH2CO3H=HCHO+NO2+OH - 4.500000E+004 8 OH 127 6.269992E-004 HOCH2CO3H=HCHO+HO2+OH + 4.500000E+004 8 OH 127 6.269993E-004 HOCH2CO3H=HCHO+HO2+OH 4.500000E+004 8 OH 132 1.176945E+000 HCOCO=CO+OH - 4.500000E+004 8 OH 136 4.588513E-007 HCOCO3+HO2=HO2+CO+OH + 4.500000E+004 8 OH 136 4.588515E-007 HCOCO3+HO2=HO2+CO+OH 4.500000E+004 8 OH 144 1.502193E-006 HCOCO3H=HO2+CO+OH 4.500000E+004 8 OH 145 2.760326E-006 HCOCO3H=HO2+CO+OH 4.500000E+004 9 HO2 16 1.117582E+003 OH+O3=HO2 - 4.500000E+004 9 HO2 17 7.038076E-002 OH+H2=HO2 + 4.500000E+004 9 HO2 17 7.038078E-002 OH+H2=HO2 4.500000E+004 9 HO2 18 2.909103E+004 OH+CO=HO2 - 4.500000E+004 9 HO2 19 5.625889E-001 OH+H2O2=HO2 + 4.500000E+004 9 HO2 19 5.625891E-001 OH+H2O2=HO2 4.500000E+004 9 HO2 26 2.626629E+000 OH+NO3=HO2+NO2 4.500000E+004 9 HO2 35 0.000000E+000 HSO3=HO2+SO3 - 4.500000E+004 9 HO2 48 2.599987E+004 HO2NO2=HO2+NO2 + 4.500000E+004 9 HO2 48 2.599988E+004 HO2NO2=HO2+NO2 4.500000E+004 9 HO2 58 1.072616E+003 HCHO=CO+HO2+HO2 - 4.500000E+004 9 HO2 60 1.952745E+000 NO3+HCHO=HNO3+CO+HO2 + 4.500000E+004 9 HO2 60 1.952744E+000 NO3+HCHO=HNO3+CO+HO2 4.500000E+004 9 HO2 61 1.735258E+002 OH+HCHO=HO2+CO 4.500000E+004 9 HO2 64 1.612858E+002 CH2OOA=HO2+CO+OH 4.500000E+004 9 HO2 76 1.082220E+000 ETHENO3O=NO3CH2CHO+HO2 - 4.500000E+004 9 HO2 90 2.483535E+002 HOCH2CH2O=HO2+HCHO+HCHO - 4.500000E+004 9 HO2 91 9.669894E+001 HOCH2CH2O=HO2+HOCH2CHO + 4.500000E+004 9 HO2 90 2.483536E+002 HOCH2CH2O=HO2+HCHO+HCHO + 4.500000E+004 9 HO2 91 9.669896E+001 HOCH2CH2O=HO2+HOCH2CHO 4.500000E+004 9 HO2 92 2.637669E-005 ETHGLY+OH=HOCH2CHO+HO2 4.500000E+004 9 HO2 94 1.072816E+001 HOCH2CHO+OH=GLYOX+HO2 4.500000E+004 9 HO2 96 1.755348E+002 HOCH2CHO=HO2+HCHO+HO2+CO - 4.500000E+004 9 HO2 105 7.715841E-003 HCOCH2O=HCHO+CO+HO2 - 4.500000E+004 9 HO2 106 9.636251E-002 HCOOH+OH=HO2 - 4.500000E+004 9 HO2 107 3.580825E-003 HOCH2CO3+HO2=HO2+HCHO+OH - 4.500000E+004 9 HO2 110 3.261718E+002 HOCH2CO3+NO=NO2+HO2+HCHO + 4.500000E+004 9 HO2 105 7.715843E-003 HCOCH2O=HCHO+CO+HO2 + 4.500000E+004 9 HO2 106 9.636254E-002 HCOOH+OH=HO2 + 4.500000E+004 9 HO2 107 3.580826E-003 HOCH2CO3+HO2=HO2+HCHO+OH + 4.500000E+004 9 HO2 110 3.261719E+002 HOCH2CO3+NO=NO2+HO2+HCHO 4.500000E+004 9 HO2 112 2.920987E-002 HOCH2CO3+NO3=NO2+HO2+HCHO 4.500000E+004 9 HO2 113 5.386647E-005 HOCH2CO3=HCHO+HO2 - 4.500000E+004 9 HO2 116 1.483223E+001 GLYOX=CO+CO+HO2+HO2 - 4.500000E+004 9 HO2 125 8.026569E-005 HOCH2CO2H+OH=HCHO+HO2 - 4.500000E+004 9 HO2 127 6.269992E-004 HOCH2CO3H=HCHO+HO2+OH - 4.500000E+004 9 HO2 130 2.398647E-001 HCOCO=CO+CO+HO2 - 4.500000E+004 9 HO2 131 4.334695E-001 HCOCO=CO+CO+HO2 - 4.500000E+004 9 HO2 136 4.588513E-007 HCOCO3+HO2=HO2+CO+OH - 4.500000E+004 9 HO2 137 4.179606E-002 HCOCO3+NO=HO2+CO+NO2 + 4.500000E+004 9 HO2 116 1.483224E+001 GLYOX=CO+CO+HO2+HO2 + 4.500000E+004 9 HO2 125 8.026571E-005 HOCH2CO2H+OH=HCHO+HO2 + 4.500000E+004 9 HO2 127 6.269993E-004 HOCH2CO3H=HCHO+HO2+OH + 4.500000E+004 9 HO2 130 2.398648E-001 HCOCO=CO+CO+HO2 + 4.500000E+004 9 HO2 131 4.334696E-001 HCOCO=CO+CO+HO2 + 4.500000E+004 9 HO2 136 4.588515E-007 HCOCO3+HO2=HO2+CO+OH + 4.500000E+004 9 HO2 137 4.179607E-002 HCOCO3+NO=HO2+CO+NO2 4.500000E+004 9 HO2 138 1.682870E-001 HCOCO3+NO2=HO2+CO+NO3 4.500000E+004 9 HO2 139 3.742989E-006 HCOCO3+NO3=HO2+CO+NO2 - 4.500000E+004 9 HO2 140 6.902516E-009 HCOCO3=CO+HO2 - 4.500000E+004 9 HO2 142 5.283670E-005 HCOCO2H=HO2+HO2+CO - 4.500000E+004 9 HO2 143 3.828657E-007 OH+HCOCO2H=CO+HO2 + 4.500000E+004 9 HO2 140 6.902517E-009 HCOCO3=CO+HO2 + 4.500000E+004 9 HO2 142 5.283671E-005 HCOCO2H=HO2+HO2+CO + 4.500000E+004 9 HO2 143 3.828658E-007 OH+HCOCO2H=CO+HO2 4.500000E+004 9 HO2 144 1.502193E-006 HCOCO3H=HO2+CO+OH 4.500000E+004 9 HO2 145 2.760326E-006 HCOCO3H=HO2+CO+OH - 4.860000E+004 8 OH 15 1.212316E-090 O1D=OH+OH - 4.860000E+004 8 OH 20 3.073130E+002 HO2+O3=OH - 4.860000E+004 8 OH 27 2.747053E+000 HO2+NO=OH+NO2 - 4.860000E+004 8 OH 30 4.341795E+002 HO2+NO3=OH+NO2 + 4.860000E+004 8 OH 15 2.993696E-091 O1D=OH+OH + 4.860000E+004 8 OH 20 3.073606E+002 HO2+O3=OH + 4.860000E+004 8 OH 27 2.747755E+000 HO2+NO=OH+NO2 + 4.860000E+004 8 OH 30 4.343661E+002 HO2+NO3=OH+NO2 4.860000E+004 8 OH 41 0.000000E+000 H2O2=OH+OH 4.860000E+004 8 OH 45 0.000000E+000 HONO=OH+NO 4.860000E+004 8 OH 46 0.000000E+000 HNO3=OH+NO2 - 4.860000E+004 8 OH 64 1.568221E+002 CH2OOA=HO2+CO+OH - 4.860000E+004 8 OH 73 1.488766E-007 ETHO2HNO3+OH=NO3CH2CHO+OH + 4.860000E+004 8 OH 64 1.568215E+002 CH2OOA=HO2+CO+OH + 4.860000E+004 8 OH 73 1.490765E-007 ETHO2HNO3+OH=NO3CH2CHO+OH 4.860000E+004 8 OH 74 0.000000E+000 ETHO2HNO3=ETHENO3O+OH - 4.860000E+004 8 OH 88 8.812371E-004 HYETHO2H+OH=HOCH2CHO+OH + 4.860000E+004 8 OH 88 8.814839E-004 HYETHO2H+OH=HOCH2CHO+OH 4.860000E+004 8 OH 89 0.000000E+000 HYETHO2H=HOCH2CH2O+OH - 4.860000E+004 8 OH 97 1.491807E-007 NO3CH2CO3+HO2=HCHO+NO2+OH - 4.860000E+004 8 OH 107 3.624699E-003 HOCH2CO3+HO2=HO2+HCHO+OH + 4.860000E+004 8 OH 97 1.494102E-007 NO3CH2CO3+HO2=HCHO+NO2+OH + 4.860000E+004 8 OH 107 3.625556E-003 HOCH2CO3+HO2=HO2+HCHO+OH 4.860000E+004 8 OH 122 0.000000E+000 NO3CH2CO3H=HCHO+NO2+OH 4.860000E+004 8 OH 127 0.000000E+000 HOCH2CO3H=HCHO+HO2+OH - 4.860000E+004 8 OH 132 3.986542E+000 HCOCO=CO+OH - 4.860000E+004 8 OH 136 1.434278E-006 HCOCO3+HO2=HO2+CO+OH + 4.860000E+004 8 OH 132 3.987622E+000 HCOCO=CO+OH + 4.860000E+004 8 OH 136 1.434941E-006 HCOCO3+HO2=HO2+CO+OH 4.860000E+004 8 OH 144 0.000000E+000 HCOCO3H=HO2+CO+OH 4.860000E+004 8 OH 145 0.000000E+000 HCOCO3H=HO2+CO+OH - 4.860000E+004 9 HO2 16 1.702313E+001 OH+O3=HO2 - 4.860000E+004 9 HO2 17 1.101256E-003 OH+H2=HO2 - 4.860000E+004 9 HO2 18 4.543628E+002 OH+CO=HO2 - 4.860000E+004 9 HO2 19 9.223576E-003 OH+H2O2=HO2 - 4.860000E+004 9 HO2 26 3.412864E+000 OH+NO3=HO2+NO2 + 4.860000E+004 9 HO2 16 1.702784E+001 OH+O3=HO2 + 4.860000E+004 9 HO2 17 1.101564E-003 OH+H2=HO2 + 4.860000E+004 9 HO2 18 4.544900E+002 OH+CO=HO2 + 4.860000E+004 9 HO2 19 9.226284E-003 OH+H2O2=HO2 + 4.860000E+004 9 HO2 26 3.414747E+000 OH+NO3=HO2+NO2 4.860000E+004 9 HO2 35 0.000000E+000 HSO3=HO2+SO3 - 4.860000E+004 9 HO2 48 1.983086E+004 HO2NO2=HO2+NO2 + 4.860000E+004 9 HO2 48 1.983332E+004 HO2NO2=HO2+NO2 4.860000E+004 9 HO2 58 0.000000E+000 HCHO=CO+HO2+HO2 - 4.860000E+004 9 HO2 60 1.633775E+002 NO3+HCHO=HNO3+CO+HO2 - 4.860000E+004 9 HO2 61 2.725711E+000 OH+HCHO=HO2+CO - 4.860000E+004 9 HO2 64 1.568221E+002 CH2OOA=HO2+CO+OH - 4.860000E+004 9 HO2 76 6.645706E+001 ETHENO3O=NO3CH2CHO+HO2 - 4.860000E+004 9 HO2 90 3.339452E+000 HOCH2CH2O=HO2+HCHO+HCHO - 4.860000E+004 9 HO2 91 1.300249E+000 HOCH2CH2O=HO2+HOCH2CHO - 4.860000E+004 9 HO2 92 4.129168E-007 ETHGLY+OH=HOCH2CHO+HO2 - 4.860000E+004 9 HO2 94 1.673127E-001 HOCH2CHO+OH=GLYOX+HO2 + 4.860000E+004 9 HO2 60 1.634222E+002 NO3+HCHO=HNO3+CO+HO2 + 4.860000E+004 9 HO2 61 2.726479E+000 OH+HCHO=HO2+CO + 4.860000E+004 9 HO2 64 1.568215E+002 CH2OOA=HO2+CO+OH + 4.860000E+004 9 HO2 76 6.649071E+001 ETHENO3O=NO3CH2CHO+HO2 + 4.860000E+004 9 HO2 90 3.340636E+000 HOCH2CH2O=HO2+HCHO+HCHO + 4.860000E+004 9 HO2 91 1.300710E+000 HOCH2CH2O=HO2+HOCH2CHO + 4.860000E+004 9 HO2 92 4.130335E-007 ETHGLY+OH=HOCH2CHO+HO2 + 4.860000E+004 9 HO2 94 1.673593E-001 HOCH2CHO+OH=GLYOX+HO2 4.860000E+004 9 HO2 96 0.000000E+000 HOCH2CHO=HO2+HCHO+HO2+CO - 4.860000E+004 9 HO2 105 6.850535E-081 HCOCH2O=HCHO+CO+HO2 - 4.860000E+004 9 HO2 106 1.700840E-003 HCOOH+OH=HO2 - 4.860000E+004 9 HO2 107 3.624699E-003 HOCH2CO3+HO2=HO2+HCHO+OH - 4.860000E+004 9 HO2 110 4.755462E-002 HOCH2CO3+NO=NO2+HO2+HCHO - 4.860000E+004 9 HO2 112 3.229740E+000 HOCH2CO3+NO3=NO2+HO2+HCHO - 4.860000E+004 9 HO2 113 1.268622E-003 HOCH2CO3=HCHO+HO2 + 4.860000E+004 9 HO2 105 5.719952E-077 HCOCH2O=HCHO+CO+HO2 + 4.860000E+004 9 HO2 106 1.701372E-003 HCOOH+OH=HO2 + 4.860000E+004 9 HO2 107 3.625556E-003 HOCH2CO3+HO2=HO2+HCHO+OH + 4.860000E+004 9 HO2 110 4.756299E-002 HOCH2CO3+NO=NO2+HO2+HCHO + 4.860000E+004 9 HO2 112 3.230871E+000 HOCH2CO3+NO3=NO2+HO2+HCHO + 4.860000E+004 9 HO2 113 1.269163E-003 HOCH2CO3=HCHO+HO2 4.860000E+004 9 HO2 116 0.000000E+000 GLYOX=CO+CO+HO2+HO2 - 4.860000E+004 9 HO2 125 1.258168E-006 HOCH2CO2H+OH=HCHO+HO2 + 4.860000E+004 9 HO2 125 1.258523E-006 HOCH2CO2H+OH=HCHO+HO2 4.860000E+004 9 HO2 127 0.000000E+000 HOCH2CO3H=HCHO+HO2+OH - 4.860000E+004 9 HO2 130 8.124684E-001 HCOCO=CO+CO+HO2 - 4.860000E+004 9 HO2 131 1.468245E+000 HCOCO=CO+CO+HO2 - 4.860000E+004 9 HO2 136 1.434278E-006 HCOCO3+HO2=HO2+CO+OH - 4.860000E+004 9 HO2 137 1.881715E-005 HCOCO3+NO=HO2+CO+NO2 - 4.860000E+004 9 HO2 138 7.103098E-001 HCOCO3+NO2=HO2+CO+NO3 - 4.860000E+004 9 HO2 139 1.277994E-003 HCOCO3+NO3=HO2+CO+NO2 - 4.860000E+004 9 HO2 140 5.019881E-007 HCOCO3=CO+HO2 + 4.860000E+004 9 HO2 130 8.126885E-001 HCOCO=CO+CO+HO2 + 4.860000E+004 9 HO2 131 1.468643E+000 HCOCO=CO+CO+HO2 + 4.860000E+004 9 HO2 136 1.434941E-006 HCOCO3+HO2=HO2+CO+OH + 4.860000E+004 9 HO2 137 1.882472E-005 HCOCO3+NO=HO2+CO+NO2 + 4.860000E+004 9 HO2 138 7.105019E-001 HCOCO3+NO2=HO2+CO+NO3 + 4.860000E+004 9 HO2 139 1.278731E-003 HCOCO3+NO3=HO2+CO+NO2 + 4.860000E+004 9 HO2 140 5.023158E-007 HCOCO3=CO+HO2 4.860000E+004 9 HO2 142 0.000000E+000 HCOCO2H=HO2+HO2+CO - 4.860000E+004 9 HO2 143 5.900741E-009 OH+HCOCO2H=CO+HO2 + 4.860000E+004 9 HO2 143 5.902397E-009 OH+HCOCO2H=CO+HO2 4.860000E+004 9 HO2 144 0.000000E+000 HCOCO3H=HO2+CO+OH 4.860000E+004 9 HO2 145 0.000000E+000 HCOCO3H=HO2+CO+OH diff --git a/tests/model_tests/spec_model_func/output/reactionRates/25200.cmp b/tests/model_tests/spec_model_func/output/reactionRates/25200.cmp index d751380d6..5a66ed3bc 100644 --- a/tests/model_tests/spec_model_func/output/reactionRates/25200.cmp +++ b/tests/model_tests/spec_model_func/output/reactionRates/25200.cmp @@ -1,7 +1,7 @@ reactionNumber reactionRate 1 7.464574E+008 2 2.145640E+008 -3 5.705864E+001 +3 5.705865E+001 4 2.096212E+003 5 1.073918E+004 6 2.126017E+003 @@ -15,9 +15,9 @@ 14 6.505459E+004 15 2.034546E+006 16 2.022386E+005 -17 2.494118E-001 +17 2.494117E-001 18 5.223211E+006 -19 9.369915E+000 +19 9.369914E+000 20 1.093098E+004 21 5.060077E+003 22 2.862198E+002 @@ -30,20 +30,20 @@ 29 3.275975E+002 30 2.550411E+001 31 4.479763E+004 -32 4.623432E+003 +32 4.623431E+003 33 0.000000E+000 34 0.000000E+000 35 0.000000E+000 -36 3.455209E+004 +36 3.455208E+004 37 1.314200E+003 38 0.000000E+000 39 2.264940E+007 40 2.708812E+008 -41 8.968387E+000 +41 8.968386E+000 42 6.694347E+008 43 1.535443E+004 44 1.061188E+005 -45 2.981673E+006 +45 2.981672E+006 46 3.861992E+003 47 6.380502E+004 48 5.279616E+005 @@ -53,95 +53,95 @@ 52 4.262013E-005 53 3.027346E-001 54 7.533156E-007 -55 2.699093E-008 -56 8.996975E-009 -57 8.996975E-009 -58 6.753518E+003 +55 2.699092E-008 +56 8.996974E-009 +57 8.996974E-009 +58 6.753517E+003 59 1.031868E+004 -60 7.992121E-002 -61 8.743703E+003 -62 7.730508E+002 +60 7.992120E-002 +61 8.743701E+003 +62 7.730509E+002 63 1.044663E+003 64 2.716124E+002 65 1.922435E+001 66 5.025526E+002 67 1.000080E+005 68 2.501073E-001 -69 9.281010E-003 +69 9.281008E-003 70 2.784303E-002 -71 9.281010E-003 +71 9.281008E-003 72 1.096745E-006 73 4.872423E-007 74 3.544767E-007 75 4.140201E-002 76 2.613245E-001 77 3.201189E+000 -78 7.229956E-007 -79 7.123373E-003 +78 7.229955E-007 +79 7.123372E-003 80 5.762332E-002 81 7.761331E-001 82 9.283467E-002 83 1.020108E-002 84 0.000000E+000 -85 2.895662E+002 +85 2.895663E+002 86 4.826104E+002 -87 4.068958E-001 -88 1.539879E+000 +87 4.068957E-001 +88 1.539878E+000 89 1.315119E-001 -90 7.199136E+004 +90 7.199135E+004 91 2.803056E+004 -92 8.135805E-004 -93 6.975705E-002 -94 4.042865E+002 +92 8.135802E-004 +93 6.975704E-002 +94 4.042864E+002 95 1.617146E+003 -96 8.177318E+002 -97 2.158100E-007 +96 8.177317E+002 +97 2.158099E-007 98 7.357158E-008 -99 2.010957E-007 -100 4.941893E-003 +99 2.010956E-007 +100 4.941892E-003 101 2.467533E-003 -102 9.794181E-009 +102 9.794180E-009 103 3.921527E-009 -104 1.680655E-009 -105 5.762335E-002 +104 1.680654E-009 +105 5.762334E-002 106 1.989838E+000 -107 4.879696E-002 -108 1.663533E-002 -109 4.546989E-002 +107 4.879695E-002 +108 1.663532E-002 +109 4.546988E-002 110 1.117415E+003 -111 5.579357E+002 -112 2.214570E-003 -113 8.866996E-004 -114 3.800141E-004 +111 5.579356E+002 +112 2.214569E-003 +113 8.866993E-004 +114 3.800140E-004 115 1.638429E+001 -116 8.074367E+000 -117 2.470210E+000 -118 4.915586E-004 +116 8.074365E+000 +117 2.470209E+000 +118 4.915585E-004 119 1.417907E+001 -120 4.673018E-011 -121 2.666237E-009 -122 8.656650E-010 +120 4.673017E-011 +121 2.666236E-009 +122 8.656648E-010 123 1.061086E-007 124 2.942735E-004 125 1.546224E-004 -126 9.264889E-004 +126 9.264886E-004 127 1.764035E-004 -128 2.157296E+000 -129 5.982878E+001 -130 1.647309E+000 -131 2.976920E+000 -132 8.082856E+000 +128 2.157295E+000 +129 5.982877E+001 +130 1.647308E+000 +131 2.976919E+000 +132 8.082854E+000 133 1.443288E+000 -134 1.432021E-005 -135 3.914190E-005 -136 4.200595E-005 -137 9.619059E-001 -138 4.802885E-001 -139 1.906371E-006 -140 7.632987E-007 -141 3.271280E-007 -142 8.237186E-007 -143 3.952978E-007 -144 1.043129E-007 -145 3.580403E-007 -146 1.398419E-006 +134 1.432020E-005 +135 3.914189E-005 +136 4.200593E-005 +137 9.619056E-001 +138 4.802884E-001 +139 1.906370E-006 +140 7.632984E-007 +141 3.271279E-007 +142 8.237183E-007 +143 3.952977E-007 +144 1.043128E-007 +145 3.580401E-007 +146 1.398418E-006 diff --git a/tests/model_tests/spec_model_func/output/reactionRates/27000.cmp b/tests/model_tests/spec_model_func/output/reactionRates/27000.cmp index 99399e92e..e1c517c1c 100644 --- a/tests/model_tests/spec_model_func/output/reactionRates/27000.cmp +++ b/tests/model_tests/spec_model_func/output/reactionRates/27000.cmp @@ -20,7 +20,7 @@ 19 2.363295E+001 20 1.268479E+004 21 6.369222E+003 -22 3.816020E+002 +22 3.816019E+002 23 2.866511E+002 24 3.388006E+006 25 3.873670E+006 @@ -30,7 +30,7 @@ 29 3.954937E+002 30 2.994469E+001 31 5.479423E+004 -32 1.097701E+004 +32 1.097700E+004 33 0.000000E+000 34 0.000000E+000 35 0.000000E+000 @@ -39,13 +39,13 @@ 38 0.000000E+000 39 2.217164E+007 40 2.710187E+008 -41 2.050461E+001 +41 2.050460E+001 42 6.362716E+008 43 1.556181E+004 44 1.075466E+005 45 3.323675E+006 46 8.259176E+003 -47 6.201996E+004 +47 6.201997E+004 48 5.846925E+005 49 2.855989E-001 50 1.947968E+003 @@ -64,18 +64,18 @@ 63 9.739837E+002 64 2.532358E+002 65 2.375527E+001 -66 5.083278E+002 +66 5.083277E+002 67 1.011572E+005 68 2.721657E-001 69 1.069754E-002 -70 3.209262E-002 +70 3.209261E-002 71 1.069754E-002 72 2.685708E-006 73 1.193158E-006 -74 7.872378E-007 +74 7.872377E-007 75 3.905320E-002 -76 2.464991E-001 -77 7.532236E+000 +76 2.464992E-001 +77 7.532235E+000 78 1.241279E-006 79 1.311110E-002 80 9.567478E-002 @@ -88,20 +88,20 @@ 87 1.073046E+000 88 4.060893E+000 89 3.145324E-001 -90 7.281123E+004 +90 7.281122E+004 91 2.834978E+004 -92 2.093661E-003 +92 2.093660E-003 93 1.444187E-001 -94 8.973135E+002 +94 8.973134E+002 95 3.589254E+003 96 1.642445E+003 -97 5.037550E-007 -98 1.717347E-007 +97 5.037549E-007 +98 1.717346E-007 99 4.694080E-007 100 9.442678E-003 101 4.770234E-003 102 2.013329E-008 -103 8.538536E-009 +103 8.538535E-009 104 3.659373E-009 105 9.567411E-002 106 4.150924E+000 @@ -112,36 +112,36 @@ 111 1.294179E+003 112 5.462221E-003 113 2.316530E-003 -114 9.927988E-004 -115 7.138508E+001 +114 9.927986E-004 +115 7.138507E+001 116 3.491958E+001 117 1.076251E+001 118 2.186396E-003 -119 6.761154E+001 -120 2.513758E-010 +119 6.761153E+001 +120 2.513757E-010 121 1.415888E-008 -122 4.169128E-009 -123 4.351785E-007 +122 4.169127E-009 +123 4.351784E-007 124 1.107118E-003 -125 9.829209E-004 -126 5.821210E-003 +125 9.829207E-004 +126 5.821209E-003 127 1.005184E-003 -128 1.055317E+001 -129 2.684785E+002 -130 7.869986E+000 +128 1.055316E+001 +129 2.684784E+002 +130 7.869985E+000 131 1.422218E+001 132 3.861569E+001 -133 6.895282E+000 -134 8.327975E-005 +133 6.895281E+000 +134 8.327973E-005 135 2.276313E-004 136 2.442872E-004 137 4.579063E+000 138 2.313242E+000 -139 9.763289E-006 -140 4.140615E-006 -141 1.774550E-006 -142 9.418146E-006 -143 4.949327E-006 +139 9.763288E-006 +140 4.140614E-006 +141 1.774549E-006 +142 9.418144E-006 +143 4.949326E-006 144 1.220270E-006 145 4.179358E-006 -146 1.803807E-005 +146 1.803806E-005 diff --git a/tests/model_tests/spec_model_func/output/reactionRates/28800.cmp b/tests/model_tests/spec_model_func/output/reactionRates/28800.cmp index c0230e92a..c90bc157b 100644 --- a/tests/model_tests/spec_model_func/output/reactionRates/28800.cmp +++ b/tests/model_tests/spec_model_func/output/reactionRates/28800.cmp @@ -15,9 +15,9 @@ 14 6.228505E+004 15 1.877410E+006 16 2.226411E+005 -17 2.408797E+000 +17 2.408796E+000 18 5.667680E+006 -19 3.826308E+001 +19 3.826307E+001 20 1.355421E+004 21 6.767028E+003 22 4.311363E+002 @@ -49,7 +49,7 @@ 48 5.971278E+005 49 2.710501E-001 50 1.811795E+003 -51 9.404197E+004 +51 9.404196E+004 52 5.268305E-005 53 2.709966E-001 54 7.913791E-007 @@ -59,11 +59,11 @@ 58 1.743508E+004 59 2.698288E+004 60 2.252857E-001 -61 2.574787E+004 +61 2.574786E+004 62 6.703640E+002 63 9.058973E+002 64 2.355333E+002 -65 2.483276E+001 +65 2.483275E+001 66 4.701110E+002 67 9.355209E+004 68 2.745688E-001 @@ -72,7 +72,7 @@ 71 1.041624E-002 72 4.244520E-006 73 1.885680E-006 -74 1.210371E-006 +74 1.210370E-006 75 3.706278E-002 76 2.339359E-001 77 1.137430E+001 @@ -90,10 +90,10 @@ 89 4.783996E-001 90 6.733523E+004 91 2.621765E+004 -92 3.191723E-003 +92 3.191722E-003 93 2.107515E-001 94 1.275986E+003 -95 5.103946E+003 +95 5.103945E+003 96 2.260120E+003 97 7.589537E-007 98 2.587342E-007 @@ -107,41 +107,41 @@ 106 5.983418E+000 107 2.265247E-001 108 7.722434E-002 -109 2.110799E-001 +109 2.110798E-001 110 3.756498E+003 111 1.937075E+003 -112 8.737030E-003 +112 8.737029E-003 113 3.576366E-003 114 1.532728E-003 115 1.512130E+002 116 7.264170E+001 117 2.279792E+001 -118 4.797367E-003 +118 4.797366E-003 119 1.445605E+002 -120 6.037473E-010 -121 3.355191E-008 -122 9.611165E-009 +120 6.037472E-010 +121 3.355190E-008 +122 9.611164E-009 123 8.647050E-007 124 2.200823E-003 -125 2.584280E-003 +125 2.584279E-003 126 1.511969E-002 -127 2.539907E-003 +127 2.539906E-003 128 2.320014E+001 -129 5.904836E+002 +129 5.904835E+002 130 1.682950E+001 -131 3.041329E+001 -132 8.257737E+001 +131 3.041328E+001 +132 8.257736E+001 133 1.474515E+001 134 1.999412E-004 -135 5.465059E-004 -136 5.864941E-004 -137 9.725932E+000 -138 5.015271E+000 +135 5.465058E-004 +136 5.864940E-004 +137 9.725931E+000 +138 5.015270E+000 139 2.262100E-005 -140 9.259552E-006 -141 3.968380E-006 -142 3.374237E-005 +140 9.259551E-006 +141 3.968379E-006 +142 3.374236E-005 143 1.792232E-005 -144 4.433415E-006 +144 4.433414E-006 145 1.510387E-005 -146 6.736433E-005 +146 6.736432E-005 diff --git a/tests/model_tests/spec_model_func/output/reactionRates/30600.cmp b/tests/model_tests/spec_model_func/output/reactionRates/30600.cmp index 00b0304f8..c90d8b31d 100644 --- a/tests/model_tests/spec_model_func/output/reactionRates/30600.cmp +++ b/tests/model_tests/spec_model_func/output/reactionRates/30600.cmp @@ -15,14 +15,14 @@ 14 6.217983E+004 15 1.698371E+006 16 2.125165E+005 -17 3.803105E+000 +17 3.803104E+000 18 5.371256E+006 19 5.041078E+001 20 1.380405E+004 21 6.511413E+003 22 4.426260E+002 23 3.324910E+002 -24 2.833492E+006 +24 2.833493E+006 25 3.407257E+006 26 7.473717E+001 27 5.726488E+006 @@ -60,16 +60,16 @@ 59 3.089520E+004 60 2.772460E-001 61 2.909829E+004 -62 6.246358E+002 +62 6.246359E+002 63 8.441025E+002 64 2.194666E+002 65 2.364376E+001 -66 4.138943E+002 +66 4.138942E+002 67 8.236496E+004 68 2.668107E-001 -69 9.258320E-003 +69 9.258319E-003 70 2.777496E-002 -71 9.258320E-003 +71 9.258319E-003 72 5.521091E-006 73 2.452812E-006 74 1.583425E-006 @@ -87,14 +87,14 @@ 86 3.899668E+002 87 2.079816E+000 88 7.870969E+000 -89 5.964822E-001 -90 5.931358E+004 +89 5.964821E-001 +90 5.931359E+004 91 2.309434E+004 92 3.859513E-003 93 2.675606E-001 -94 1.487621E+003 +94 1.487620E+003 95 5.950482E+003 -96 2.627072E+003 +96 2.627071E+003 97 9.395930E-007 98 3.203158E-007 99 8.755298E-007 @@ -109,10 +109,10 @@ 108 1.004456E-001 109 2.745512E-001 110 4.518112E+003 -111 2.400524E+003 +111 2.400523E+003 112 1.159847E-002 -113 4.342582E-003 -114 1.861107E-003 +113 4.342581E-003 +114 1.861106E-003 115 2.363060E+002 116 1.102077E+002 117 3.562715E+001 @@ -120,28 +120,28 @@ 119 2.180447E+002 120 1.023630E-009 121 5.613722E-008 -122 1.617308E-008 -123 1.258656E-006 +122 1.617307E-008 +123 1.258655E-006 124 3.373323E-003 -125 4.619565E-003 +125 4.619564E-003 126 2.670284E-002 127 4.511439E-003 128 3.598297E+001 -129 9.643797E+002 -130 2.533495E+001 -131 4.578383E+001 -132 1.243111E+002 -133 2.219719E+001 -134 3.231465E-004 +129 9.643796E+002 +130 2.533494E+001 +131 4.578382E+001 +132 1.243110E+002 +133 2.219718E+001 +134 3.231464E-004 135 8.832669E-004 -136 9.478962E-004 -137 1.453536E+001 +136 9.478961E-004 +137 1.453535E+001 138 7.722796E+000 139 3.731379E-005 140 1.397065E-005 -141 5.987422E-006 -142 7.373696E-005 +141 5.987421E-006 +142 7.373695E-005 143 3.788601E-005 -144 9.740414E-006 -145 3.289568E-005 +144 9.740413E-006 +145 3.289567E-005 146 1.471588E-004 diff --git a/tests/model_tests/spec_model_func/output/reactionRates/32400.cmp b/tests/model_tests/spec_model_func/output/reactionRates/32400.cmp index 31873906c..d3b2ceb1b 100644 --- a/tests/model_tests/spec_model_func/output/reactionRates/32400.cmp +++ b/tests/model_tests/spec_model_func/output/reactionRates/32400.cmp @@ -15,11 +15,11 @@ 14 6.309867E+004 15 1.465909E+006 16 1.922918E+005 -17 4.912552E+000 +17 4.912551E+000 18 4.828982E+006 -19 5.736993E+001 +19 5.736992E+001 20 1.335561E+004 -21 5.649086E+003 +21 5.649087E+003 22 4.106094E+002 23 3.084408E+002 24 2.385404E+006 @@ -49,19 +49,19 @@ 48 5.484178E+005 49 2.525585E-001 50 1.580768E+003 -51 6.951392E+004 +51 6.951391E+004 52 5.470384E-005 53 2.524905E-001 54 9.079459E-007 55 2.638328E-008 -56 8.794427E-009 -57 8.794427E-009 +56 8.794426E-009 +57 8.794426E-009 58 2.002782E+004 59 3.213239E+004 60 3.180436E-001 61 2.883579E+004 -62 5.848811E+002 -63 7.903799E+002 +62 5.848812E+002 +63 7.903800E+002 64 2.054988E+002 65 2.046588E+001 66 3.476483E+002 @@ -75,35 +75,35 @@ 74 1.874419E-006 75 3.453090E-002 76 2.179549E-001 -77 1.517173E+001 -78 2.302831E-006 +77 1.517172E+001 +78 2.302830E-006 79 1.880286E-002 80 1.307296E-001 81 5.824699E-001 82 5.466767E-002 -83 6.656096E-003 +83 6.656097E-003 84 0.000000E+000 85 2.190906E+002 86 3.651510E+002 -87 2.205487E+000 +87 2.205486E+000 88 8.346564E+000 89 6.570607E-001 -90 4.984336E+004 -91 1.940701E+004 +90 4.984332E+004 +91 1.940700E+004 92 4.001508E-003 93 3.162046E-001 94 1.518732E+003 -95 6.074929E+003 +95 6.074928E+003 96 2.751043E+003 97 1.007114E-006 -98 3.433343E-007 +98 3.433344E-007 99 9.384472E-007 100 1.498582E-002 101 8.290929E-003 102 4.291956E-008 103 1.393703E-008 104 5.973015E-009 -105 1.307210E-001 +105 1.307211E-001 106 7.923300E+000 107 3.202875E-001 108 1.091889E-001 @@ -112,7 +112,7 @@ 111 2.636723E+003 112 1.364950E-002 113 4.432326E-003 -114 1.899569E-003 +114 1.899568E-003 115 3.098936E+002 116 1.385064E+002 117 4.672172E+001 @@ -125,13 +125,13 @@ 124 4.477992E-003 125 6.436529E-003 126 3.677037E-002 -127 6.453335E-003 +127 6.453334E-003 128 4.467855E+001 129 1.329361E+003 -130 3.060178E+001 -131 5.530175E+001 -132 1.501539E+002 -133 2.681172E+001 +130 3.060180E+001 +131 5.530179E+001 +132 1.501540E+002 +133 2.681175E+001 134 3.966976E-004 135 1.084307E-003 136 1.163646E-003 @@ -139,9 +139,9 @@ 138 9.579559E+000 139 4.959040E-005 140 1.610322E-005 -141 6.901380E-006 +141 6.901379E-006 142 1.196890E-004 -143 5.691365E-005 -144 1.578263E-005 -145 5.263185E-005 +143 5.691364E-005 +144 1.578262E-005 +145 5.263184E-005 146 2.295406E-004 diff --git a/tests/model_tests/spec_model_func/output/reactionRates/34200.cmp b/tests/model_tests/spec_model_func/output/reactionRates/34200.cmp index d5f9957fd..82e22a40a 100644 --- a/tests/model_tests/spec_model_func/output/reactionRates/34200.cmp +++ b/tests/model_tests/spec_model_func/output/reactionRates/34200.cmp @@ -47,7 +47,7 @@ 46 1.609572E+004 47 6.396347E+004 48 4.897041E+005 -49 2.500577E-001 +49 2.500578E-001 50 1.491371E+003 51 5.532092E+004 52 5.263457E-005 @@ -61,7 +61,7 @@ 60 3.510543E-001 61 2.558343E+004 62 5.518074E+002 -63 7.456856E+002 +63 7.456857E+002 64 1.938783E+002 65 1.582247E+001 66 2.765736E+002 @@ -73,7 +73,7 @@ 72 6.395023E-006 73 2.841066E-006 74 2.054624E-006 -75 3.419035E-002 +75 3.419036E-002 76 2.158054E-001 77 1.455981E+001 78 2.672016E-006 @@ -85,15 +85,15 @@ 84 0.000000E+000 85 2.067028E+002 86 3.445046E+002 -87 2.049504E+000 -88 7.756254E+000 -89 6.584743E-001 +87 2.049503E+000 +88 7.756253E+000 +89 6.584742E-001 90 3.960824E+004 -91 1.542187E+004 +91 1.542186E+004 92 3.652461E-003 93 3.593167E-001 94 1.387170E+003 -95 5.548681E+003 +95 5.548680E+003 96 2.663021E+003 97 9.459267E-007 98 3.224750E-007 @@ -116,19 +116,19 @@ 115 3.603605E+002 116 1.520084E+002 117 5.433047E+001 -118 1.397529E-002 +118 1.397528E-002 119 2.685248E+002 120 1.567711E-009 121 8.390670E-008 122 2.708045E-008 123 1.539667E-006 124 5.412315E-003 -125 7.350617E-003 +125 7.350616E-003 126 4.152004E-002 -127 7.858380E-003 +127 7.858379E-003 128 4.649251E+001 129 1.634328E+003 -130 3.128857E+001 +130 3.128856E+001 131 5.654287E+001 132 1.535237E+002 133 2.741345E+001 @@ -139,9 +139,9 @@ 138 1.008234E+001 139 5.587019E-005 140 1.478470E-005 -141 6.336300E-006 +141 6.336299E-006 142 1.564367E-004 -143 6.539885E-005 +143 6.539884E-005 144 2.047918E-005 -145 6.711531E-005 +145 6.711530E-005 146 2.761873E-004 diff --git a/tests/model_tests/spec_model_func/output/reactionRates/36000.cmp b/tests/model_tests/spec_model_func/output/reactionRates/36000.cmp index bfd57810e..24cc6fdf2 100644 --- a/tests/model_tests/spec_model_func/output/reactionRates/36000.cmp +++ b/tests/model_tests/spec_model_func/output/reactionRates/36000.cmp @@ -12,12 +12,12 @@ 11 2.165347E+002 12 1.064510E+006 13 3.334381E+001 -14 6.962166E+004 +14 6.962165E+004 15 9.085926E+005 16 1.279357E+005 17 5.172184E+000 18 3.186392E+006 -19 5.024303E+001 +19 5.024304E+001 20 1.024338E+004 21 2.852555E+003 22 2.390196E+002 @@ -102,7 +102,7 @@ 101 8.184894E-003 102 4.856693E-008 103 9.686552E-009 -104 4.151379E-009 +104 4.151380E-009 105 1.168086E-001 106 6.878472E+000 107 2.320061E-001 @@ -114,9 +114,9 @@ 113 2.906712E-003 114 1.245734E-003 115 3.818003E+002 -116 1.491130E+002 +116 1.491129E+002 117 5.756288E+001 -118 1.657176E-002 +118 1.657175E-002 119 2.331345E+002 120 1.496073E-009 121 7.923097E-008 @@ -125,23 +125,23 @@ 124 6.109016E-003 125 6.997151E-003 126 3.910393E-002 -127 8.369186E-003 +127 8.369185E-003 128 4.101658E+001 129 1.843954E+003 -130 2.713025E+001 -131 4.902820E+001 +130 2.713024E+001 +131 4.902819E+001 132 1.331201E+002 133 2.377014E+001 134 2.946862E-004 135 8.054755E-004 -136 8.644128E-004 +136 8.644127E-004 137 1.460995E+001 -138 9.150982E+000 +138 9.150981E+000 139 5.429943E-005 140 1.082988E-005 141 4.641379E-006 142 1.716400E-004 -143 5.913759E-005 +143 5.913758E-005 144 2.221034E-005 145 7.109314E-005 146 2.648859E-004 diff --git a/tests/model_tests/spec_model_func/output/reactionRates/37800.cmp b/tests/model_tests/spec_model_func/output/reactionRates/37800.cmp index 434d25aa6..49bdd132a 100644 --- a/tests/model_tests/spec_model_func/output/reactionRates/37800.cmp +++ b/tests/model_tests/spec_model_func/output/reactionRates/37800.cmp @@ -6,7 +6,7 @@ 5 6.305112E+003 6 1.248212E+003 7 1.632216E+006 -8 4.720047E+006 +8 4.720046E+006 9 4.232390E+008 10 1.200187E+006 11 1.838458E+002 @@ -22,12 +22,12 @@ 21 1.543261E+003 22 1.404471E+002 23 1.055008E+002 -24 8.897593E+005 +24 8.897594E+005 25 1.388797E+006 26 4.027012E+001 27 2.407412E+006 28 3.189346E+005 -29 8.668263E+001 +29 8.668264E+001 30 2.467842E+001 31 9.107035E+003 32 1.442048E+004 @@ -37,7 +37,7 @@ 36 2.475220E+005 37 1.551298E+003 38 0.000000E+000 -39 6.975728E+006 +39 6.975729E+006 40 2.262416E+008 41 4.823133E+001 42 4.244970E+008 @@ -47,7 +47,7 @@ 46 1.206195E+004 47 7.531626E+004 48 3.208619E+005 -49 2.668859E-001 +49 2.668860E-001 50 1.366831E+003 51 2.793823E+004 52 4.233598E-005 @@ -65,16 +65,16 @@ 64 1.776933E+002 65 6.024627E+000 66 1.397299E+002 -67 2.780624E+004 +67 2.780625E+004 68 1.545606E-001 69 1.941931E-003 70 5.825793E-003 71 1.941931E-003 72 4.576534E-006 -73 2.033180E-006 -74 1.993259E-006 -75 3.647620E-002 -76 2.302334E-001 +73 2.033181E-006 +74 1.993260E-006 +75 3.647621E-002 +76 2.302335E-001 77 9.274143E+000 78 3.858629E-006 79 1.198280E-002 @@ -84,39 +84,39 @@ 83 5.729153E-003 84 0.000000E+000 85 1.894497E+002 -86 3.157494E+002 +86 3.157495E+002 87 1.192608E+000 88 4.513372E+000 89 5.194275E-001 -90 2.007526E+004 -91 7.816503E+003 -92 2.091059E-003 +90 2.007516E+004 +91 7.816464E+003 +92 2.091058E-003 93 4.484475E-001 94 8.191962E+002 95 3.276785E+003 96 2.016328E+003 -97 5.390767E-007 +97 5.390768E-007 98 1.837762E-007 99 5.023215E-007 100 1.095221E-002 101 7.553251E-003 102 4.824377E-008 -103 6.540252E-009 -104 2.802965E-009 +103 6.540253E-009 +104 2.802966E-009 105 1.031314E-001 106 5.393641E+000 107 1.519909E-001 108 5.181507E-002 109 1.416279E-001 -110 3.087939E+003 +110 3.087938E+003 111 2.129614E+003 112 1.360217E-002 113 1.844002E-003 -114 7.902867E-004 +114 7.902866E-004 115 3.733853E+002 116 1.315864E+002 117 5.629418E+001 -118 1.891427E-002 +118 1.891426E-002 119 1.719638E+002 120 1.200507E-009 121 6.299689E-008 @@ -128,18 +128,18 @@ 127 7.898782E-003 128 3.049391E+001 129 1.942396E+003 -130 1.994317E+001 -131 3.604013E+001 -132 9.785523E+001 -133 1.747319E+001 +130 1.994322E+001 +131 3.604021E+001 +132 9.785546E+001 +133 1.747323E+001 134 1.740302E-004 135 4.756826E-004 136 5.104886E-004 137 1.037140E+001 138 7.152689E+000 -139 4.568533E-005 +139 4.568532E-005 140 6.193412E-006 -141 2.654320E-006 +141 2.654319E-006 142 1.625990E-004 143 4.257738E-005 144 2.068037E-005 diff --git a/tests/model_tests/spec_model_func/output/reactionRates/39600.cmp b/tests/model_tests/spec_model_func/output/reactionRates/39600.cmp index c124b52cb..34e6d13c4 100644 --- a/tests/model_tests/spec_model_func/output/reactionRates/39600.cmp +++ b/tests/model_tests/spec_model_func/output/reactionRates/39600.cmp @@ -1,36 +1,36 @@ reactionNumber reactionRate 1 4.593551E+008 2 1.320384E+008 -3 3.588432E+001 -4 7.237788E+002 -5 5.880651E+003 +3 3.588431E+001 +4 7.237787E+002 +5 5.880650E+003 6 1.164182E+003 -7 9.733883E+005 -8 2.814848E+006 +7 9.733876E+005 +8 2.814846E+006 9 3.809234E+008 10 1.240286E+006 11 1.498429E+002 12 1.098098E+006 13 4.348515E+001 14 9.079671E+004 -15 3.738729E+005 +15 3.738727E+005 16 5.495791E+004 17 2.883031E+000 18 1.371162E+006 19 2.442960E+001 -20 5.307690E+003 +20 5.307691E+003 21 6.392790E+002 22 6.461206E+001 23 4.853517E+001 24 4.905852E+005 -25 8.792281E+005 +25 8.792282E+005 26 2.792636E+001 27 1.474151E+006 28 2.242407E+005 -29 3.731317E+001 +29 3.731318E+001 30 1.900634E+001 31 3.871908E+003 -32 9.135088E+003 +32 9.135089E+003 33 0.000000E+000 34 0.000000E+000 35 0.000000E+000 @@ -42,7 +42,7 @@ 41 3.965906E+001 42 3.808445E+008 43 1.914190E+004 -44 1.311845E+005 +44 1.311844E+005 45 5.991300E+005 46 8.804974E+003 47 8.847616E+004 @@ -59,7 +59,7 @@ 58 1.011027E+004 59 1.946653E+004 60 4.616473E-001 -61 8.562262E+003 +61 8.562263E+003 62 4.913160E+002 63 6.639406E+002 64 1.726245E+002 @@ -73,12 +73,12 @@ 72 3.060588E-006 73 1.359703E-006 74 1.726815E-006 -75 4.038029E-002 -76 2.548756E-001 +75 4.038028E-002 +76 2.548755E-001 77 5.864532E+000 78 5.025188E-006 79 8.393581E-003 -80 8.508941E-002 +80 8.508942E-002 81 4.870237E-001 82 3.310749E-002 83 5.769602E-003 @@ -88,23 +88,23 @@ 87 7.217085E-001 88 2.731273E+000 89 4.071952E-001 -90 1.181315E+004 -91 4.599569E+003 +90 1.181325E+004 +91 4.599608E+003 92 1.266397E-003 -93 5.143548E-001 +93 5.143547E-001 94 5.053693E+002 95 2.021477E+003 96 1.539854E+003 97 3.106755E-007 98 1.059121E-007 -99 2.894930E-007 -100 8.401348E-003 -101 6.652765E-003 +99 2.894931E-007 +100 8.401349E-003 +101 6.652766E-003 102 4.654554E-008 103 3.699992E-009 104 1.585711E-009 -105 8.511952E-002 -106 3.613909E+000 +105 8.511946E-002 +106 3.613910E+000 107 8.162737E-002 108 2.782751E-002 109 7.606187E-002 @@ -114,7 +114,7 @@ 113 9.721417E-004 114 4.166322E-004 115 3.378208E+002 -116 1.034444E+002 +116 1.034443E+002 117 5.093222E+001 118 2.143790E-002 119 1.048334E+002 @@ -128,20 +128,20 @@ 127 6.605320E-003 128 1.854376E+001 129 1.934069E+003 -130 1.235200E+001 -131 2.232181E+001 -132 6.060759E+001 -133 1.082219E+001 -134 7.521891E-005 +130 1.235202E+001 +131 2.232185E+001 +132 6.060771E+001 +133 1.082221E+001 +134 7.521892E-005 135 2.055984E-004 -136 2.206421E-004 +136 2.206422E-004 137 5.966649E+000 138 4.724803E+000 -139 3.305670E-005 +139 3.305671E-005 140 2.627739E-006 141 1.126174E-006 142 1.361826E-004 143 2.427771E-005 144 1.678116E-005 -145 4.970568E-005 +145 4.970567E-005 146 1.288731E-004 diff --git a/tests/model_tests/spec_model_func/output/reactionRates/41400.cmp b/tests/model_tests/spec_model_func/output/reactionRates/41400.cmp index eedaf8a6b..a73c44d54 100644 --- a/tests/model_tests/spec_model_func/output/reactionRates/41400.cmp +++ b/tests/model_tests/spec_model_func/output/reactionRates/41400.cmp @@ -1,26 +1,26 @@ reactionNumber reactionRate -1 3.927162E+008 -2 1.128836E+008 -3 3.046934E+001 -4 5.315132E+002 -5 5.360792E+003 +1 3.927161E+008 +2 1.128835E+008 +3 3.046933E+001 +4 5.315131E+002 +5 5.360791E+003 6 1.061267E+003 -7 4.540654E+005 -8 1.313068E+006 +7 4.540652E+005 +8 1.313067E+006 9 3.249703E+008 10 1.313480E+006 11 1.105585E+002 12 1.151456E+006 13 5.660338E+001 14 1.181875E+005 -15 1.744040E+005 +15 1.744039E+005 16 2.664537E+004 17 1.517295E+000 18 6.691021E+005 19 1.230508E+001 20 3.015456E+003 -21 1.785143E+002 -22 2.114229E+001 +21 1.785144E+002 +22 2.114230E+001 23 1.588163E+001 24 2.057102E+005 25 4.576551E+005 @@ -43,10 +43,10 @@ 42 3.231187E+008 43 2.091940E+004 44 1.423592E+005 -45 2.940675E+005 +45 2.940676E+005 46 5.360096E+003 47 1.147531E+005 -48 1.384439E+005 +48 1.384440E+005 49 3.551593E-001 50 1.299248E+003 51 7.996525E+003 @@ -63,7 +63,7 @@ 62 4.806583E+002 63 6.495382E+002 64 1.688799E+002 -65 8.636769E-001 +65 8.636770E-001 66 4.003686E+001 67 7.967335E+003 68 7.916064E-002 @@ -71,13 +71,13 @@ 70 8.188761E-004 71 2.729587E-004 72 1.604429E-006 -73 7.127871E-007 -74 1.305305E-006 -75 4.856810E-002 -76 3.065561E-001 +73 7.127872E-007 +74 1.305306E-006 +75 4.856807E-002 +76 3.065559E-001 77 2.916113E+000 -78 7.267293E-006 -79 4.854035E-003 +78 7.267292E-006 +79 4.854036E-003 80 6.204950E-002 81 4.763048E-001 82 2.782269E-002 @@ -88,22 +88,22 @@ 87 3.474026E-001 88 1.314729E+000 89 2.826341E-001 -90 5.494332E+003 -91 2.139274E+003 -92 6.117110E-004 -93 6.293015E-001 +90 5.494683E+003 +91 2.139410E+003 +92 6.117109E-004 +93 6.293014E-001 94 2.472522E+002 -95 9.890087E+002 +95 9.890088E+002 96 1.014236E+003 97 1.416239E-007 98 4.828089E-008 -99 1.319677E-007 -100 5.750920E-003 +99 1.319678E-007 +100 5.750921E-003 101 5.653090E-003 102 4.528106E-008 103 1.684700E-009 -104 7.220142E-010 -105 6.215673E-002 +104 7.220143E-010 +105 6.215654E-002 106 1.917289E+000 107 3.517456E-002 108 1.199133E-002 @@ -113,10 +113,10 @@ 112 1.124627E-002 113 4.184220E-004 114 1.793237E-004 -115 2.789593E+002 +115 2.789592E+002 116 6.969200E+001 117 4.205784E+001 -118 2.530795E-002 +118 2.530794E-002 119 4.948911E+001 120 3.998627E-010 121 2.071119E-008 @@ -128,13 +128,13 @@ 127 4.757095E-003 128 8.623457E+000 129 1.842435E+003 -130 6.115286E+000 -131 1.105119E+001 -132 3.000590E+001 -133 5.357902E+000 +130 6.115170E+000 +131 1.105098E+001 +132 3.000533E+001 +133 5.357801E+000 134 2.138956E-005 135 5.846480E-005 -136 6.274271E-005 +136 6.274272E-005 137 2.547792E+000 138 2.504451E+000 139 2.006057E-005 diff --git a/tests/model_tests/spec_model_func/output/reactionRates/43200.cmp b/tests/model_tests/spec_model_func/output/reactionRates/43200.cmp index aea2b8cad..06e907722 100644 --- a/tests/model_tests/spec_model_func/output/reactionRates/43200.cmp +++ b/tests/model_tests/spec_model_func/output/reactionRates/43200.cmp @@ -6,30 +6,30 @@ 5 4.480957E+003 6 8.870874E+002 7 1.298141E+005 -8 3.753967E+005 +8 3.753968E+005 9 2.400126E+008 10 1.440369E+006 11 6.187204E+001 12 1.243571E+006 -13 9.076652E+001 +13 9.076651E+001 14 1.895199E+005 -15 4.986085E+004 -16 8.617663E+003 -17 5.202545E-001 +15 4.986086E+004 +16 8.617664E+003 +17 5.202546E-001 18 2.191566E+005 -19 4.135041E+000 +19 4.135042E+000 20 1.320971E+003 -21 2.594793E+001 -22 4.162501E+000 +21 2.594794E+001 +22 4.162502E+000 23 3.126780E+000 -24 5.041218E+004 +24 5.041219E+004 25 1.665245E+005 -26 7.870575E+000 +26 7.870576E+000 27 2.404316E+005 28 6.740922E+004 29 1.810161E+000 30 8.501962E+000 -31 2.218038E+002 +31 2.218039E+002 32 1.486533E+003 33 0.000000E+000 34 0.000000E+000 @@ -37,30 +37,30 @@ 36 2.612558E+005 37 3.759983E+003 38 0.000000E+000 -39 5.551139E+005 +39 5.551140E+005 40 1.443627E+008 -41 1.575065E+001 +41 1.575066E+001 42 2.354574E+008 43 2.480471E+004 44 1.661212E+005 45 1.066008E+005 46 2.304266E+003 47 1.825489E+005 -48 6.860577E+004 +48 6.860578E+004 49 5.090814E-001 50 1.273572E+003 -51 2.600889E+003 +51 2.600890E+003 52 2.387214E-005 53 5.069528E-001 -54 9.671810E-006 +54 9.671809E-006 55 1.027678E-008 56 3.425592E-009 57 3.425592E-009 58 3.101579E+003 59 7.581673E+003 -60 7.819835E-001 -61 1.316035E+003 -62 4.712216E+002 +60 7.819834E-001 +61 1.316036E+003 +62 4.712217E+002 63 6.367860E+002 64 1.655644E+002 65 1.667606E-001 @@ -70,15 +70,15 @@ 69 5.472672E-005 70 1.641802E-004 71 5.472672E-005 -72 5.568248E-007 +72 5.568249E-007 73 2.473762E-007 74 7.568365E-007 75 6.950648E-002 76 4.387166E-001 -77 9.625397E-001 +77 9.625398E-001 78 1.306185E-005 79 1.979664E-003 -80 3.430874E-002 +80 3.430875E-002 81 4.668625E-001 82 2.040425E-002 83 6.553835E-003 @@ -89,52 +89,52 @@ 88 4.265198E-001 89 1.531861E-001 90 1.867224E+003 -91 7.270225E+002 +91 7.270226E+002 92 1.990875E-004 -93 9.074773E-001 +93 9.074772E-001 94 8.090467E+001 95 3.236187E+002 -96 4.920498E+002 -97 4.882187E-008 +96 4.920499E+002 +97 4.882188E-008 98 1.664382E-008 99 4.549311E-008 100 3.342452E-003 -101 4.878359E-003 +101 4.878360E-003 102 5.078849E-008 -103 6.030602E-010 +103 6.030603E-010 104 2.584544E-010 105 3.437477E-002 -106 6.774709E-001 +106 6.774710E-001 107 1.207451E-002 -108 4.116311E-003 +108 4.116312E-003 109 1.125125E-002 -110 8.266474E+002 +110 8.266475E+002 111 1.206505E+003 112 1.256089E-002 113 1.491475E-004 114 6.392035E-005 115 1.976717E+002 -116 3.543076E+001 +116 3.543077E+001 117 2.980237E+001 -118 3.484022E-002 +118 3.484021E-002 119 1.545931E+001 120 1.328976E-010 -121 6.861199E-009 -122 9.368124E-009 -123 9.540558E-008 +121 6.861200E-009 +122 9.368125E-009 +123 9.540559E-008 124 6.222372E-003 125 6.024929E-004 -126 3.275722E-003 +126 3.275723E-003 127 2.622863E-003 128 2.619606E+000 129 1.708512E+003 130 1.803766E+000 131 3.259661E+000 -132 8.850546E+000 +132 8.850547E+000 133 1.580368E+000 -134 3.201077E-006 -135 8.749611E-006 -136 9.389826E-006 +134 3.201078E-006 +135 8.749612E-006 +136 9.389828E-006 137 6.428480E-001 138 9.382465E-001 139 9.768063E-006 @@ -144,4 +144,4 @@ 143 3.099629E-006 144 6.333662E-006 145 1.554394E-005 -146 2.019076E-005 +146 2.019077E-005 diff --git a/tests/model_tests/spec_model_func/output/reactionRates/45000.cmp b/tests/model_tests/spec_model_func/output/reactionRates/45000.cmp index 9b261b459..32f005315 100644 --- a/tests/model_tests/spec_model_func/output/reactionRates/45000.cmp +++ b/tests/model_tests/spec_model_func/output/reactionRates/45000.cmp @@ -1,35 +1,35 @@ reactionNumber reactionRate -1 1.392400E+008 -2 4.002358E+007 -3 1.041974E+001 -4 6.013666E+001 +1 1.392401E+008 +2 4.002359E+007 +3 1.041975E+001 +4 6.013668E+001 5 2.484397E+003 6 4.918318E+002 -7 7.609168E+003 -8 2.200422E+004 +7 7.609171E+003 +8 2.200423E+004 9 1.000213E+008 10 1.655918E+006 11 1.125828E+001 12 1.333617E+006 -13 2.685301E+002 -14 5.606890E+005 -15 2.922638E+003 +13 2.685300E+002 +14 5.606889E+005 +15 2.922640E+003 16 1.117582E+003 -17 7.038076E-002 +17 7.038078E-002 18 2.909103E+004 -19 5.625889E-001 +19 5.625891E-001 20 4.137510E+002 -21 1.104331E+000 -22 4.278650E-001 +21 1.104332E+000 +22 4.278651E-001 23 3.214029E-001 -24 2.854596E+003 +24 2.854597E+003 25 2.601321E+004 26 2.626629E+000 -27 3.288187E+004 +27 3.288188E+004 28 2.543261E+004 -29 9.106431E-002 +29 9.106435E-002 30 6.852786E+000 -31 1.835555E+001 +31 1.835556E+001 32 1.958773E+002 33 0.000000E+000 34 0.000000E+000 @@ -37,65 +37,65 @@ 36 2.593314E+005 37 1.078634E+004 38 0.000000E+000 -39 3.251470E+004 -40 8.749320E+007 -41 3.748952E+000 -42 9.160452E+007 +39 3.251472E+004 +40 8.749321E+007 +41 3.748953E+000 +42 9.160454E+007 43 3.810267E+004 44 2.422565E+005 -45 2.016773E+004 -46 3.461632E+002 -47 5.236819E+005 -48 2.599987E+004 -49 1.276201E+000 +45 2.016774E+004 +46 3.461633E+002 +47 5.236818E+005 +48 2.599988E+004 +49 1.276200E+000 50 1.240660E+003 51 3.442724E+002 -52 4.429797E-005 +52 4.429796E-005 53 1.251620E+000 -54 1.407330E-004 -55 2.322408E-008 -56 7.741359E-009 -57 7.741359E-009 -58 5.363079E+002 -59 1.754425E+003 -60 1.952745E+000 +54 1.407329E-004 +55 2.322407E-008 +56 7.741357E-009 +57 7.741357E-009 +58 5.363080E+002 +59 1.754426E+003 +60 1.952744E+000 61 1.735258E+002 62 4.590442E+002 63 6.203300E+002 64 1.612858E+002 65 1.667213E-002 -66 1.733653E+000 -67 3.449970E+002 -68 3.898662E-002 -69 6.663250E-006 +66 1.733654E+000 +67 3.449971E+002 +68 3.898661E-002 +69 6.663251E-006 70 1.998975E-005 -71 6.663250E-006 -72 7.885250E-008 -73 3.503117E-008 +71 6.663251E-006 +72 7.885252E-008 +73 3.503118E-008 74 1.925499E-007 75 1.714576E-001 76 1.082220E+000 -77 1.280121E-001 -78 4.609782E-005 -79 3.689060E-004 -80 7.545376E-003 +77 1.280122E-001 +78 4.609781E-005 +79 3.689061E-004 +80 7.545378E-003 81 4.547916E-001 -82 8.479081E-003 +82 8.479082E-003 83 7.513294E-003 84 0.000000E+000 85 1.719656E+002 86 2.866093E+002 -87 1.491029E-002 -88 5.642734E-002 -89 3.640944E-002 -90 2.483535E+002 -91 9.669894E+001 +87 1.491030E-002 +88 5.642735E-002 +89 3.640945E-002 +90 2.483536E+002 +91 9.669896E+001 92 2.637669E-005 93 2.278970E+000 94 1.072816E+001 -95 4.291262E+001 -96 8.776740E+001 -97 1.379016E-008 +95 4.291263E+001 +96 8.776742E+001 +97 1.379017E-008 98 4.701193E-009 99 1.284993E-008 100 1.256125E-003 @@ -103,45 +103,45 @@ 102 1.124905E-007 103 2.074459E-010 104 8.890539E-011 -105 7.715841E-003 -106 9.636251E-002 -107 3.580825E-003 +105 7.715843E-003 +106 9.636254E-002 +107 3.580826E-003 108 1.220736E-003 109 3.336678E-003 -110 3.261718E+002 +110 3.261719E+002 111 1.313293E+003 112 2.920987E-002 113 5.386647E-005 114 2.308563E-005 -115 8.565323E+001 -116 7.416116E+000 +115 8.565324E+001 +116 7.416118E+000 117 1.291368E+001 -118 8.433425E-002 -119 1.975885E+000 -120 1.772072E-011 -121 9.138268E-010 +118 8.433424E-002 +119 1.975886E+000 +120 1.772073E-011 +121 9.138270E-010 122 2.241614E-009 123 1.199847E-008 -124 5.895051E-003 -125 8.026569E-005 -126 4.358671E-004 -127 6.269992E-004 -128 3.244875E-001 +124 5.895052E-003 +125 8.026571E-005 +126 4.358672E-004 +127 6.269993E-004 +128 3.244876E-001 129 1.594262E+003 -130 2.398647E-001 -131 4.334695E-001 +130 2.398648E-001 +131 4.334696E-001 132 1.176945E+000 133 2.101573E-001 134 1.564266E-007 -135 4.275660E-007 -136 4.588513E-007 -137 4.179606E-002 +135 4.275661E-007 +136 4.588515E-007 +137 4.179607E-002 138 1.682870E-001 139 3.742989E-006 -140 6.902516E-009 -141 2.958221E-009 +140 6.902517E-009 +141 2.958222E-009 142 2.641835E-005 -143 3.828657E-007 +143 3.828658E-007 144 1.502193E-006 145 2.760326E-006 -146 2.665503E-006 +146 2.665504E-006 diff --git a/tests/model_tests/spec_model_func/output/reactionRates/46800.cmp b/tests/model_tests/spec_model_func/output/reactionRates/46800.cmp index 70e9fb1e6..a19afdfa1 100644 --- a/tests/model_tests/spec_model_func/output/reactionRates/46800.cmp +++ b/tests/model_tests/spec_model_func/output/reactionRates/46800.cmp @@ -1,31 +1,31 @@ reactionNumber reactionRate -1 4.336820E+004 -2 1.246589E+004 -3 3.182072E-003 -4 6.146127E-006 -5 8.448640E-001 -6 1.672563E-001 -7 3.055037E-005 -8 8.834567E-005 +1 4.336823E+004 +2 1.246590E+004 +3 3.182074E-003 +4 6.146133E-006 +5 8.448646E-001 +6 1.672564E-001 +7 3.054364E-005 +8 8.832621E-005 9 3.218052E+004 10 1.772732E+006 11 1.212222E-006 -12 1.221074E+004 +12 1.221075E+004 13 8.181023E+003 14 1.708192E+007 -15 1.173423E-005 +15 1.173164E-005 16 9.115629E+000 17 5.865500E-004 18 2.420024E+002 -19 4.794999E-003 +19 4.795000E-003 20 2.238905E+002 21 5.070046E-003 22 1.303193E-001 23 9.789299E-002 -24 7.792221E-003 +24 7.792223E-003 25 2.362730E+002 26 6.097003E-001 -27 5.954736E+000 +27 5.954737E+000 28 1.532500E+004 29 4.437057E-004 30 1.055296E+002 @@ -37,95 +37,95 @@ 36 2.566399E+005 37 3.197479E+005 38 0.000000E+000 -39 4.374012E-015 -40 5.568207E+004 -41 6.448954E-011 -42 1.489786E-002 -43 9.477388E+001 -44 1.531771E+002 -45 4.696552E-007 -46 1.615975E-010 +39 4.374030E-015 +40 5.568211E+004 +41 6.448969E-011 +42 1.489789E-002 +43 9.477397E+001 +44 1.531773E+002 +45 4.696563E-007 +46 1.615979E-010 47 1.552391E+007 48 1.522847E+004 49 3.555697E+001 -50 1.214641E+003 +50 1.214642E+003 51 2.859654E+000 52 2.102921E-002 -53 3.532773E-001 +53 3.532774E-001 54 3.377848E+000 55 6.000635E-005 56 2.000212E-005 57 2.000212E-005 -58 1.832103E-011 -59 1.447075E-009 +58 1.832108E-011 +59 1.447078E-009 60 5.462603E+001 61 1.447184E+000 62 4.494174E+002 -63 6.073207E+002 +63 6.073208E+002 64 1.579034E+002 -65 6.552264E-003 -66 4.051041E-004 -67 8.061572E-002 -68 7.746777E-001 +65 6.552263E-003 +66 4.051042E-004 +67 8.061573E-002 +68 7.746776E-001 69 1.425299E-005 70 4.275898E-005 71 1.425299E-005 72 4.943451E-009 73 2.196188E-009 -74 2.698336E-017 +74 2.698343E-017 75 5.102839E-001 76 3.220851E+000 77 1.065048E-003 78 2.848778E-003 -79 6.796720E-006 -80 2.993412E-015 -81 4.452594E-001 -82 2.723989E-006 +79 6.796721E-006 +80 2.993420E-015 +81 4.452595E-001 +82 2.723990E-006 83 8.031389E-003 84 0.000000E+000 85 1.683616E+002 86 2.806027E+002 87 1.240064E-004 -88 4.692968E-004 -89 6.768775E-013 -90 6.156526E-001 +88 4.692967E-004 +89 6.768790E-013 +90 6.156525E-001 91 2.397105E-001 92 2.194113E-007 -93 6.357622E+001 -94 8.922502E-002 +93 6.357621E+001 +94 8.922501E-002 95 3.569001E-001 -96 9.255441E-012 -97 1.216131E-008 +96 9.255468E-012 +97 1.216132E-008 98 4.145903E-009 99 1.133213E-008 -100 6.586397E-007 +100 6.586398E-007 101 8.824027E-003 102 5.015707E-006 -103 9.957162E-010 +103 9.957161E-010 104 4.267355E-010 -105 -1.309181E-008 +105 -1.308898E-008 106 8.533145E-004 107 2.253374E-003 -108 7.681959E-004 +108 7.681958E-004 109 2.099735E-003 110 1.220396E-001 111 1.635007E+003 112 9.293622E-001 113 1.844966E-004 -114 7.906998E-005 -115 3.884627E-006 -116 9.887551E-012 -117 5.856735E-007 +114 7.906997E-005 +115 3.884634E-006 +116 9.887577E-012 +117 5.856745E-007 118 2.333477E+000 119 1.629922E-002 120 1.476535E-013 121 7.614383E-012 -122 4.175127E-020 +122 4.175137E-020 123 1.012578E-010 124 5.980376E-003 125 6.686401E-007 -126 3.630905E-006 -127 1.167524E-014 +126 3.630904E-006 +127 1.167527E-014 128 2.662156E-003 129 1.572294E+003 130 2.735480E-001 @@ -134,14 +134,14 @@ 133 2.396689E-001 134 1.123586E-007 135 3.071134E-007 -136 3.295852E-007 +136 3.295851E-007 137 1.784987E-005 138 2.391409E-001 139 1.359312E-004 -140 2.698502E-008 +140 2.698501E-008 141 1.156501E-008 -142 6.055035E-013 +142 6.055045E-013 143 3.140840E-009 -144 2.792129E-017 -145 2.910278E-019 +144 2.792136E-017 +145 2.910286E-019 146 2.216415E-008 diff --git a/tests/model_tests/spec_model_func/output/reactionRates/48600.cmp b/tests/model_tests/spec_model_func/output/reactionRates/48600.cmp index 469189912..1190715ef 100644 --- a/tests/model_tests/spec_model_func/output/reactionRates/48600.cmp +++ b/tests/model_tests/spec_model_func/output/reactionRates/48600.cmp @@ -1,41 +1,41 @@ reactionNumber reactionRate -1 1.013494E-013 -2 2.913218E-014 -3 7.396553E-021 -4 4.801536E-024 -5 1.859689E-018 -6 3.681595E-019 -7 1.578148E-090 -8 4.563694E-090 -9 1.070019E+004 -10 1.660797E+006 -11 1.354690E-007 -12 1.217000E+004 -13 2.297370E+004 -14 4.796894E+007 -15 6.061578E-091 -16 1.702313E+001 -17 1.101256E-003 -18 4.543628E+002 -19 9.223576E-003 -20 3.073130E+002 -21 1.313623E-002 -22 2.481761E-001 -23 1.864245E-001 -24 4.890725E-003 -25 4.178314E+002 -26 3.412864E+000 -27 2.747053E+000 -28 1.991957E+004 -29 1.084833E-003 -30 4.341795E+002 -31 2.642532E-001 -32 2.994487E+000 +1 8.677235E-011 +2 2.494211E-011 +3 6.332691E-018 +4 4.111335E-021 +5 1.592157E-015 +6 3.151966E-016 +7 3.897083E-091 +8 1.126960E-090 +9 1.070121E+004 +10 1.660735E+006 +11 1.354955E-007 +12 1.217450E+004 +13 2.297916E+004 +14 4.798035E+007 +15 1.496848E-091 +16 1.702784E+001 +17 1.101564E-003 +18 4.544900E+002 +19 9.226284E-003 +20 3.073606E+002 +21 1.314198E-002 +22 2.482544E-001 +23 1.864833E-001 +24 4.892572E-003 +25 4.179341E+002 +26 3.414747E+000 +27 2.747755E+000 +28 1.992204E+004 +29 1.085272E-003 +30 4.343661E+002 +31 2.643271E-001 +32 2.995306E+000 33 0.000000E+000 34 0.000000E+000 35 0.000000E+000 -36 2.538334E+005 -37 9.566995E+005 +36 2.538318E+005 +37 9.569351E+005 38 0.000000E+000 39 0.000000E+000 40 0.000000E+000 @@ -45,103 +45,103 @@ 44 0.000000E+000 45 0.000000E+000 46 0.000000E+000 -47 4.644821E+007 -48 1.983086E+004 -49 1.058499E+002 -50 1.206324E+003 -51 5.360961E+000 -52 2.189703E-001 -53 8.911099E-001 -54 7.598821E+001 -55 2.670943E-003 -56 8.903143E-004 -57 8.903143E-004 +47 4.645965E+007 +48 1.983332E+004 +49 1.058786E+002 +50 1.206319E+003 +51 5.362457E+000 +52 2.190851E-001 +53 8.915235E-001 +54 7.603672E+001 +55 2.672852E-003 +56 8.909505E-004 +57 8.909505E-004 58 0.000000E+000 59 0.000000E+000 -60 1.633775E+002 -61 2.725711E+000 -62 4.463398E+002 -63 6.031618E+002 -64 1.568221E+002 -65 1.793767E-002 -66 2.686549E-004 -67 5.346232E-002 -68 4.581838E+000 -69 1.667962E-004 -70 5.003885E-004 -71 1.667962E-004 -72 3.351098E-007 -73 1.488766E-007 +60 1.634222E+002 +61 2.726479E+000 +62 4.463381E+002 +63 6.031596E+002 +64 1.568215E+002 +65 1.794319E-002 +66 2.687214E-004 +67 5.347556E-002 +68 4.583770E+000 +69 1.668792E-004 +70 5.006377E-004 +71 1.668792E-004 +72 3.355598E-007 +73 1.490765E-007 74 0.000000E+000 -75 1.052888E+001 -76 6.645706E+001 -77 1.999641E-003 -78 6.239413E-002 -79 9.374500E-005 +75 1.053421E+001 +76 6.649071E+001 +77 2.000201E-003 +78 6.247785E-002 +79 9.387155E-005 80 0.000000E+000 -81 4.422109E-001 -82 9.043792E-007 -83 7.512954E-003 +81 4.422092E-001 +82 9.044641E-007 +83 7.512669E-003 84 0.000000E+000 -85 1.672089E+002 -86 2.786815E+002 -87 2.328571E-004 -88 8.812371E-004 +85 1.672082E+002 +86 2.786804E+002 +87 2.329223E-004 +88 8.814839E-004 89 0.000000E+000 -90 3.339452E+000 -91 1.300249E+000 -92 4.129168E-007 -93 1.893099E+002 -94 1.673127E-001 -95 6.692507E-001 +90 3.340636E+000 +91 1.300710E+000 +92 4.130335E-007 +93 1.893612E+002 +94 1.673593E-001 +95 6.694374E-001 96 0.000000E+000 -97 1.491807E-007 -98 5.085704E-008 -99 1.390092E-007 -100 1.957191E-006 -101 7.388003E-002 -102 1.329254E-004 -103 5.221229E-008 -104 2.237670E-008 -105 6.850535E-081 -106 1.700840E-003 -107 3.624699E-003 -108 1.235693E-003 -109 3.377561E-003 -110 4.755462E-002 -111 1.795091E+003 -112 3.229740E+000 -113 1.268622E-003 -114 5.436951E-004 +97 1.494102E-007 +98 5.093530E-008 +99 1.392232E-007 +100 1.960085E-006 +101 7.397951E-002 +102 1.331451E-004 +103 5.230257E-008 +104 2.241539E-008 +105 5.719952E-077 +106 1.701372E-003 +107 3.625556E-003 +108 1.235985E-003 +109 3.378359E-003 +110 4.756299E-002 +111 1.795171E+003 +112 3.230871E+000 +113 1.269163E-003 +114 5.439270E-004 115 0.000000E+000 116 0.000000E+000 117 0.000000E+000 -118 6.948534E+000 -119 3.056469E-002 -120 2.803603E-013 -121 1.443188E-011 +118 6.950416E+000 +119 3.057322E-002 +120 2.804442E-013 +121 1.443615E-011 122 0.000000E+000 -123 3.726219E-010 -124 1.172156E-002 -125 1.258168E-006 -126 6.830238E-006 +123 3.730378E-010 +124 1.173136E-002 +125 1.258523E-006 +126 6.832159E-006 127 0.000000E+000 -128 5.113494E-003 -129 1.608551E+003 -130 8.124684E-001 -131 1.468245E+000 -132 3.986542E+000 -133 7.118435E-001 -134 4.889583E-007 -135 1.336486E-006 -136 1.434278E-006 -137 1.881715E-005 -138 7.103098E-001 -139 1.277994E-003 -140 5.019881E-007 -141 2.151378E-007 +128 5.115019E-003 +129 1.608580E+003 +130 8.126885E-001 +131 1.468643E+000 +132 3.987622E+000 +133 7.120363E-001 +134 4.891845E-007 +135 1.337104E-006 +136 1.434941E-006 +137 1.882472E-005 +138 7.105019E-001 +139 1.278731E-003 +140 5.023158E-007 +141 2.152782E-007 142 0.000000E+000 -143 5.900741E-009 +143 5.902397E-009 144 0.000000E+000 145 0.000000E+000 -146 4.162313E-008 +146 4.163479E-008 diff --git a/tests/model_tests/spec_model_func/output/reactionRates/50400.cmp b/tests/model_tests/spec_model_func/output/reactionRates/50400.cmp index 3d74b752b..eebf6178a 100644 --- a/tests/model_tests/spec_model_func/output/reactionRates/50400.cmp +++ b/tests/model_tests/spec_model_func/output/reactionRates/50400.cmp @@ -1,41 +1,41 @@ reactionNumber reactionRate -1 -1.664891E-013 -2 -4.785614E-014 -3 -1.209036E-020 -4 -8.515285E-024 -5 -2.880663E-018 -6 -5.702799E-019 -7 -1.292393E-094 -8 -3.737346E-094 -9 1.149452E+004 -10 1.558293E+006 -11 1.578877E-007 -12 1.773278E+004 -13 2.923819E+004 -14 6.104914E+007 -15 -4.964007E-095 -16 2.452133E+001 -17 1.594217E-003 -18 6.577521E+002 -19 1.366410E-002 -20 3.813198E+002 -21 2.371337E-002 -22 3.859104E-001 -23 2.898875E-001 -24 7.643405E-003 -25 5.703582E+002 -26 6.668228E+000 -27 3.698151E+000 -28 2.342235E+004 -29 1.850487E-003 -30 7.307432E+002 -31 3.825402E-001 -32 4.288531E+000 +1 -2.399793E-013 +2 -6.898039E-014 +3 -1.742714E-020 +4 -1.227383E-023 +5 -4.152079E-018 +6 -8.219799E-019 +7 1.004660E-096 +8 2.905278E-096 +9 1.149430E+004 +10 1.558235E+006 +11 1.578825E-007 +12 1.773432E+004 +13 2.924021E+004 +14 6.105338E+007 +15 3.858841E-097 +16 2.452334E+001 +17 1.594353E-003 +18 6.578081E+002 +19 1.366544E-002 +20 3.813623E+002 +21 2.371810E-002 +22 3.859986E-001 +23 2.899537E-001 +24 7.643928E-003 +25 5.703873E+002 +26 6.669486E+000 +27 3.698512E+000 +28 2.342423E+004 +29 1.850764E-003 +30 7.309023E+002 +31 3.825728E-001 +32 4.288869E+000 33 -0.000000E+000 34 0.000000E+000 35 0.000000E+000 -36 2.511167E+005 -37 1.227507E+006 +36 2.511151E+005 +37 1.227601E+006 38 0.000000E+000 39 0.000000E+000 40 0.000000E+000 @@ -45,103 +45,103 @@ 44 0.000000E+000 45 0.000000E+000 46 0.000000E+000 -47 5.959602E+007 -48 2.336711E+004 -49 1.426454E+002 -50 1.198517E+003 -51 7.748849E+000 -52 3.612405E-001 -53 1.272722E+000 -54 1.356833E+002 -55 4.630908E-003 -56 1.543636E-003 -57 1.543636E-003 +47 5.960058E+007 +48 2.336863E+004 +49 1.426600E+002 +50 1.198513E+003 +51 7.749501E+000 +52 3.612998E-001 +53 1.272764E+000 +54 1.357041E+002 +55 4.631380E-003 +56 1.543793E-003 +57 1.543793E-003 58 0.000000E+000 59 0.000000E+000 -60 2.211561E+002 -61 3.957436E+000 -62 4.434513E+002 -63 5.992586E+002 -64 1.558072E+002 -65 2.630736E-002 -66 3.411118E-004 -67 6.788126E-002 -68 7.273102E+000 -69 2.570913E-004 -70 7.712741E-004 -71 2.570913E-004 -72 1.699106E-006 -73 7.548485E-007 +60 2.211794E+002 +61 3.957779E+000 +62 4.434497E+002 +63 5.992564E+002 +64 1.558067E+002 +65 2.631266E-002 +66 3.411359E-004 +67 6.788605E-002 +68 7.274489E+000 +69 2.571272E-004 +70 7.713815E-004 +71 2.571272E-004 +72 1.700100E-006 +73 7.552900E-007 74 0.000000E+000 -75 1.858572E+001 -76 1.173109E+002 -77 2.894751E-003 -78 3.088363E-001 -79 4.976913E-004 +75 1.871559E+001 +76 1.181306E+002 +77 2.894998E-003 +78 3.090296E-001 +79 4.979935E-004 80 0.000000E+000 -81 4.393497E-001 -82 9.700309E-007 -83 7.038479E-003 +81 4.393480E-001 +82 9.700113E-007 +83 7.038213E-003 84 0.000000E+000 -85 1.661270E+002 -86 2.768783E+002 -87 3.371771E-004 -88 1.276031E-003 +85 1.661264E+002 +86 2.768773E+002 +87 3.372058E-004 +88 1.276140E-003 89 0.000000E+000 -90 5.306814E+000 -91 2.066261E+000 -92 6.012842E-007 -93 2.549805E+002 -94 2.417073E-001 -95 9.668291E-001 +90 5.283243E+000 +91 2.057084E+000 +92 6.013376E-007 +93 2.550065E+002 +94 2.417275E-001 +95 9.669100E-001 96 0.000000E+000 -97 9.778995E-007 -98 3.333748E-007 -99 9.112245E-007 -100 1.110723E-005 -101 3.662121E-001 -102 9.431019E-004 -103 3.597035E-007 -104 1.541587E-007 -105 -5.610375E-085 -106 2.601328E-003 -107 5.125580E-003 -108 1.747357E-003 -109 4.776108E-003 -110 5.821764E-002 -111 1.919471E+003 -112 4.943191E+000 -113 1.885356E-003 -114 8.080099E-004 +97 9.776235E-007 +98 3.332807E-007 +99 9.109673E-007 +100 1.110264E-005 +101 3.660545E-001 +102 9.428255E-004 +103 3.595796E-007 +104 1.541056E-007 +105 1.474567E-082 +106 2.601630E-003 +107 5.126526E-003 +108 1.747679E-003 +109 4.776990E-003 +110 5.822077E-002 +111 1.919540E+003 +112 4.944050E+000 +113 1.885587E-003 +114 8.081088E-004 115 0.000000E+000 116 0.000000E+000 117 0.000000E+000 -118 9.359279E+000 -119 4.415668E-002 -120 4.508628E-013 -121 2.270305E-011 +118 9.360235E+000 +119 4.416038E-002 +120 4.509936E-013 +121 2.270839E-011 122 0.000000E+000 -123 2.648493E-009 -124 5.755149E-002 -125 1.828011E-006 -126 9.915736E-006 +123 2.650954E-009 +124 5.760007E-002 +125 1.828170E-006 +126 9.916598E-006 127 0.000000E+000 -128 7.679259E-003 -129 1.668695E+003 -130 1.094696E+000 -131 1.978271E+000 -132 5.371349E+000 -133 9.591169E-001 -134 8.706744E-007 -135 2.379843E-006 -136 2.553978E-006 -137 2.900873E-005 -138 9.564355E-001 -139 2.463097E-003 -140 9.394370E-007 -141 4.026159E-007 +128 7.680094E-003 +129 1.668735E+003 +130 1.094808E+000 +131 1.978472E+000 +132 5.371897E+000 +133 9.592147E-001 +134 8.709092E-007 +135 2.380485E-006 +136 2.554667E-006 +137 2.901276E-005 +138 9.565515E-001 +139 2.463735E-003 +140 9.396318E-007 +141 4.026994E-007 142 0.000000E+000 -143 8.555729E-009 +143 8.556466E-009 144 0.000000E+000 145 0.000000E+000 -146 6.028705E-008 +146 6.029220E-008 diff --git a/tests/model_tests/spec_model_func/output/speciesConcentrations.output.cmp b/tests/model_tests/spec_model_func/output/speciesConcentrations.output.cmp index 45cc4843d..91a58b99a 100644 --- a/tests/model_tests/spec_model_func/output/speciesConcentrations.output.cmp +++ b/tests/model_tests/spec_model_func/output/speciesConcentrations.output.cmp @@ -1,32 +1,32 @@ t CO O3 NO NO2 C2H4 OH HO2 ETHENO3O2 HOCH2CH2O2 NO3CH2CO3 HOCH2CO3 HCOCO3 2.340000E+004 4.800000E+012 6.110000E+011 6.800000E+010 8.370000E+010 2.760000E+009 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 - 2.430000E+004 4.796633E+012 6.163608E+011 7.065953E+010 7.744115E+010 2.690022E+009 4.149617E+006 7.682670E+006 4.755265E-001 1.358277E+005 1.543195E-003 2.907844E+002 1.104317E-001 + 2.430000E+004 4.796633E+012 6.163608E+011 7.065953E+010 7.744115E+010 2.690022E+009 4.149617E+006 7.682670E+006 4.755265E-001 1.358277E+005 1.543195E-003 2.907843E+002 1.104317E-001 2.520000E+004 4.792251E+012 6.176982E+011 6.885875E+010 7.565352E+010 2.601894E+009 4.826991E+006 9.183572E+006 4.740316E-001 1.568539E+005 3.464636E-003 7.788542E+002 6.561231E-001 2.610000E+004 4.787431E+012 6.191966E+011 6.699721E+010 7.395202E+010 2.508167E+009 5.138277E+006 1.005456E+007 4.729817E-001 1.654383E+005 5.345739E-003 1.340879E+003 1.763351E+000 - 2.700000E+004 4.782420E+012 6.207836E+011 6.509101E+010 7.234147E+010 2.414064E+009 5.277412E+006 1.063286E+007 4.729999E-001 1.683369E+005 7.091283E-003 1.918889E+003 3.394120E+000 - 2.790000E+004 4.777341E+012 6.224167E+011 6.315771E+010 7.083095E+010 2.322054E+009 5.316767E+006 1.104092E+007 4.743649E-001 1.681243E+005 8.678147E-003 2.482185E+003 5.437937E+000 + 2.700000E+004 4.782420E+012 6.207836E+011 6.509101E+010 7.234147E+010 2.414064E+009 5.277412E+006 1.063286E+007 4.729999E-001 1.683369E+005 7.091283E-003 1.918889E+003 3.394119E+000 + 2.790000E+004 4.777341E+012 6.224167E+011 6.315771E+010 7.083095E+010 2.322054E+009 5.316767E+006 1.104092E+007 4.743649E-001 1.681243E+005 8.678147E-003 2.482185E+003 5.437936E+000 2.880000E+004 4.772275E+012 6.240632E+011 6.121446E+010 6.943171E+010 2.233527E+009 5.282332E+006 1.131628E+007 4.772404E-001 1.657697E+005 1.009366E-002 3.008284E+003 7.743539E+000 - 2.970000E+004 4.767286E+012 6.256915E+011 5.927671E+010 6.815622E+010 2.149408E+009 5.183187E+006 1.146381E+007 4.817732E-001 1.616517E+005 1.132481E-002 3.477448E+003 1.013204E+001 + 2.970000E+004 4.767286E+012 6.256915E+011 5.927671E+010 6.815622E+010 2.149408E+009 5.183187E+006 1.146381E+007 4.817732E-001 1.616517E+005 1.132481E-002 3.477447E+003 1.013204E+001 3.060000E+004 4.762432E+012 6.272679E+011 5.735741E+010 6.701783E+010 2.070387E+009 5.022925E+006 1.147693E+007 4.881409E-001 1.559464E+005 1.235826E-002 3.872154E+003 1.241077E+001 3.150000E+004 4.757769E+012 6.287563E+011 5.546635E+010 6.603066E+010 1.996990E+009 4.804120E+006 1.134660E+007 4.965842E-001 1.487742E+005 1.318175E-002 4.177898E+003 1.439051E+001 - 3.240000E+004 4.753349E+012 6.301177E+011 5.360948E+010 6.520977E+010 1.929612E+009 4.530121E+006 1.106556E+007 5.074386E-001 1.402553E+005 1.378514E-002 4.384145E+003 1.590421E+001 - 3.330000E+004 4.749220E+012 6.313119E+011 5.178824E+010 6.457140E+010 1.868524E+009 4.205803E+006 1.063086E+007 5.211749E-001 1.305315E+005 1.416108E-002 4.485115E+003 1.682451E+001 + 3.240000E+004 4.753349E+012 6.301177E+011 5.360948E+010 6.520977E+010 1.929612E+009 4.530121E+006 1.106556E+007 5.074387E-001 1.402553E+005 1.378514E-002 4.384145E+003 1.590421E+001 + 3.330000E+004 4.749220E+012 6.313119E+011 5.178824E+010 6.457140E+010 1.868525E+009 4.205803E+006 1.063086E+007 5.211749E-001 1.305315E+005 1.416109E-002 4.485114E+003 1.682450E+001 3.420000E+004 4.745426E+012 6.322971E+011 4.999875E+010 6.413339E+010 1.813885E+009 3.837873E+006 1.004546E+007 5.384567E-001 1.197738E+005 1.430585E-002 4.480285E+003 1.707751E+001 3.510000E+004 4.742002E+012 6.330316E+011 4.823080E+010 6.391589E+010 1.765738E+009 3.434940E+006 9.319328E+006 5.602286E-001 1.081854E+005 1.422003E-002 4.374573E+003 1.665086E+001 - 3.600000E+004 4.738974E+012 6.334729E+011 4.646649E+010 6.394234E+010 1.724018E+009 3.007413E+006 8.469928E+006 5.878570E-001 9.600101E+004 1.390953E-002 4.178165E+003 1.559465E+001 - 3.690000E+004 4.736361E+012 6.335784E+011 4.467841E+010 6.424102E+010 1.688554E+009 2.567240E+006 7.522152E+006 6.233660E-001 8.348423E+004 1.338653E-002 3.905991E+003 1.401473E+001 - 3.780000E+004 4.734165E+012 6.333028E+011 4.282705E+010 6.484739E+010 1.659073E+009 2.127500E+006 6.507484E+006 6.698555E-001 7.092286E+004 1.267058E-002 3.576873E+003 1.205928E+001 + 3.600000E+004 4.738974E+012 6.334729E+011 4.646649E+010 6.394234E+010 1.724018E+009 3.007413E+006 8.469928E+006 5.878570E-001 9.600101E+004 1.390953E-002 4.178164E+003 1.559465E+001 + 3.690000E+004 4.736361E+012 6.335784E+011 4.467841E+010 6.424102E+010 1.688554E+009 2.567240E+006 7.522152E+006 6.233660E-001 8.348422E+004 1.338653E-002 3.905991E+003 1.401473E+001 + 3.780000E+004 4.734165E+012 6.333028E+011 4.282705E+010 6.484739E+010 1.659073E+009 2.127500E+006 6.507483E+006 6.698555E-001 7.092286E+004 1.267058E-002 3.576873E+003 1.205928E+001 3.870000E+004 4.732380E+012 6.325959E+011 4.085686E+010 6.580784E+010 1.635199E+009 1.701866E+006 5.462519E+006 7.322872E-001 5.862190E+004 1.178976E-002 3.212388E+003 9.900338E+000 - 3.960000E+004 4.730984E+012 6.313959E+011 3.869029E+010 6.718552E+010 1.616462E+009 1.303930E+006 4.426893E+006 8.190728E-001 4.689441E+004 1.078196E-002 2.835582E+003 7.713170E+000 + 3.960000E+004 4.730984E+012 6.313959E+011 3.869029E+010 6.718552E+010 1.616462E+009 1.303930E+006 4.426893E+006 8.190728E-001 4.689441E+004 1.078196E-002 2.835582E+003 7.713169E+000 4.050000E+004 4.729944E+012 6.296199E+011 3.621828E+010 6.906978E+010 1.602299E+009 9.464362E+005 3.440826E+006 9.455781E-001 3.605019E+004 9.696266E-003 2.469654E+003 5.656480E+000 - 4.140000E+004 4.729217E+012 6.271471E+011 3.328489E+010 7.159162E+010 1.592066E+009 6.404176E+005 2.542489E+006 1.142778E+000 2.638217E+004 8.594791E-003 2.136801E+003 3.856507E+000 - 4.230000E+004 4.728748E+012 6.237923E+011 2.966302E+010 7.494822E+010 1.585053E+009 3.942002E+005 1.765376E+006 1.482114E+000 1.814990E+004 7.554857E-003 1.857442E+003 2.396899E+000 - 4.320000E+004 4.728478E+012 6.192683E+011 2.502019E+010 7.943745E+010 1.580511E+009 2.121955E+005 1.135651E+006 2.163788E+000 1.155817E+004 6.671593E-003 1.650040E+003 1.314810E+000 - 4.410000E+004 4.728347E+012 6.131640E+011 1.890162E+010 8.547464E+010 1.577694E+009 9.331138E+004 6.690434E+005 3.950797E+000 6.724972E+003 6.059757E-003 1.531717E+003 6.015910E-001 - 4.500000E+004 4.728297E+012 6.051496E+011 1.094758E+010 9.336946E+010 1.575919E+009 2.906148E+004 3.660405E+005 1.193980E+001 3.623624E+003 5.848019E-003 1.517984E+003 2.058421E-001 - 4.590000E+004 4.728286E+012 5.966022E+011 2.581539E+009 1.015525E+011 1.574651E+009 3.729359E+003 2.073880E+005 1.507696E+002 1.998742E+003 6.189569E-003 1.603034E+003 5.657250E-002 - 4.680000E+004 4.728286E+012 5.930215E+011 4.414287E+006 1.024178E+011 1.573529E+009 2.258981E+002 1.960032E+005 1.025227E+004 2.468589E+003 9.214619E-003 1.729437E+003 2.450336E-001 - 4.770000E+004 4.728286E+012 5.914391E+011 9.870461E+005 9.946339E+010 1.572385E+009 3.198740E+002 2.322064E+005 4.697112E+004 4.026377E+003 2.240698E-002 1.872777E+003 5.465698E-001 - 4.860000E+004 4.728287E+012 5.899067E+011 1.153009E+006 9.658467E+010 1.571212E+009 4.205178E+002 2.692791E+005 8.094325E+004 4.943396E+003 7.728065E-002 2.011169E+003 7.854359E-001 - 4.950000E+004 4.728287E+012 5.884212E+011 1.224455E+006 9.378848E+010 1.570018E+009 5.201738E+002 3.051487E+005 1.005288E+005 5.461885E+003 2.057345E-001 2.146950E+003 9.767848E-001 - 5.040000E+004 4.728288E+012 5.869815E+011 1.251606E+006 9.107410E+010 1.568811E+009 6.126092E+002 3.369418E+005 1.091143E+005 5.838641E+003 4.192602E-001 2.281948E+003 1.132266E+000 + 4.140000E+004 4.729217E+012 6.271471E+011 3.328489E+010 7.159162E+010 1.592066E+009 6.404176E+005 2.542489E+006 1.142778E+000 2.638217E+004 8.594792E-003 2.136801E+003 3.856506E+000 + 4.230000E+004 4.728748E+012 6.237923E+011 2.966302E+010 7.494822E+010 1.585053E+009 3.942002E+005 1.765376E+006 1.482115E+000 1.814990E+004 7.554857E-003 1.857442E+003 2.396898E+000 + 4.320000E+004 4.728478E+012 6.192683E+011 2.502019E+010 7.943745E+010 1.580512E+009 2.121955E+005 1.135651E+006 2.163788E+000 1.155817E+004 6.671593E-003 1.650040E+003 1.314810E+000 + 4.410000E+004 4.728347E+012 6.131640E+011 1.890162E+010 8.547464E+010 1.577694E+009 9.331138E+004 6.690434E+005 3.950797E+000 6.724971E+003 6.059757E-003 1.531717E+003 6.015910E-001 + 4.500000E+004 4.728297E+012 6.051496E+011 1.094758E+010 9.336946E+010 1.575919E+009 2.906148E+004 3.660405E+005 1.193980E+001 3.623623E+003 5.848019E-003 1.517984E+003 2.058421E-001 + 4.590000E+004 4.728286E+012 5.966022E+011 2.581539E+009 1.015525E+011 1.574651E+009 3.729359E+003 2.073880E+005 1.507696E+002 1.998742E+003 6.189569E-003 1.603034E+003 5.657249E-002 + 4.680000E+004 4.728286E+012 5.930215E+011 4.414287E+006 1.024178E+011 1.573530E+009 2.258981E+002 1.960032E+005 1.025227E+004 2.468589E+003 9.214620E-003 1.729437E+003 2.450336E-001 + 4.770000E+004 4.728286E+012 5.914391E+011 9.870494E+005 9.946339E+010 1.572385E+009 3.198740E+002 2.322064E+005 4.697112E+004 4.026377E+003 2.240699E-002 1.872776E+003 5.465698E-001 + 4.860000E+004 4.728287E+012 5.899067E+011 1.153009E+006 9.658467E+010 1.571212E+009 4.205178E+002 2.692791E+005 8.094325E+004 4.943396E+003 7.728064E-002 2.011169E+003 7.854358E-001 + 4.950000E+004 4.728287E+012 5.884212E+011 1.224455E+006 9.378848E+010 1.570018E+009 5.201738E+002 3.051487E+005 1.005288E+005 5.461885E+003 2.057345E-001 2.146950E+003 9.767847E-001 + 5.040000E+004 4.728288E+012 5.869815E+011 1.251606E+006 9.107410E+010 1.568811E+009 6.126092E+002 3.369418E+005 1.091143E+005 5.838641E+003 4.192600E-001 2.281948E+003 1.132266E+000 diff --git a/tests/model_tests/spec_model_func/spec_model_func.out.cmp b/tests/model_tests/spec_model_func/spec_model_func.out.cmp index 698a53efd..a27fec120 100644 --- a/tests/model_tests/spec_model_func/spec_model_func.out.cmp +++ b/tests/model_tests/spec_model_func/spec_model_func.out.cmp @@ -202,10 +202,10 @@ AtChem2 v1.3-dev ------------------ Final statistics ------------------ - No. steps = 503 No. f-s = 619 No. J-s = 970 No. LU-s = 108 - No. nonlinear iterations = 618 + No. steps = 536 No. f-s = 663 No. J-s = 1004 No. LU-s = 117 + No. nonlinear iterations = 662 No. nonlinear convergence failures = 0 - No. error test failures = 30 + No. error test failures = 32 Runtime = 0 Deallocating memory. From 53e209dd76603e4f80574db81f6c2f863efb97d4 Mon Sep 17 00:00:00 2001 From: "Alfred.Mayhew" Date: Fri, 5 Jan 2024 10:33:08 -0700 Subject: [PATCH 6/8] Added custom rate file for the new stoichiometry test from a recent update --- .../configuration/customRateFuncs.f90 | 14 ++++++++++++++ 1 file changed, 14 insertions(+) create mode 100644 tests/model_tests/spec_model_stoich/configuration/customRateFuncs.f90 diff --git a/tests/model_tests/spec_model_stoich/configuration/customRateFuncs.f90 b/tests/model_tests/spec_model_stoich/configuration/customRateFuncs.f90 new file mode 100644 index 000000000..6704277cd --- /dev/null +++ b/tests/model_tests/spec_model_stoich/configuration/customRateFuncs.f90 @@ -0,0 +1,14 @@ +! ******************************************************************** ! +! ATCHEM2 -- MODULE customRateFunctions +! +! This module contains user-defined functions that can be referenced +! in the mechanism file +! ******************************************************************** ! +module custom_functions_mod + implicit none + +contains + + !Define your functions here. + +end module custom_functions_mod \ No newline at end of file From 44e1a06738effaaacf57009c5f75baa5cadb1356 Mon Sep 17 00:00:00 2001 From: "Alfred.Mayhew" Date: Thu, 11 Jan 2024 16:01:34 -0700 Subject: [PATCH 7/8] Added my name to acknowledgements --- build/mech_converter.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/build/mech_converter.py b/build/mech_converter.py index cc0b01c64..12ba1a5dd 100644 --- a/build/mech_converter.py +++ b/build/mech_converter.py @@ -24,7 +24,7 @@ # - mechanism.ro2 # - mechanism.f90 # -# Acknowledgements: B. Nelson, M. Newland +# Acknowledgements: B. Nelson, M. Newland, A. Mayhew # # ARGUMENTS: # 1. path to the mechanism .fac file From d4042c37987bae6ca87a132cc0fdb61cfaa3afb9 Mon Sep 17 00:00:00 2001 From: "Alfred.Mayhew" Date: Thu, 11 Jan 2024 16:09:05 -0700 Subject: [PATCH 8/8] Added copyright headers to each of the customRateFuncs.f90 files --- model/configuration/customRateFuncs.f90 | 15 +++++++++++++++ .../env_model_1/configuration/customRateFuncs.f90 | 15 +++++++++++++++ .../env_model_2/configuration/customRateFuncs.f90 | 15 +++++++++++++++ .../env_model_3/configuration/customRateFuncs.f90 | 15 +++++++++++++++ .../env_model_4/configuration/customRateFuncs.f90 | 15 +++++++++++++++ .../firstorder/configuration/customRateFuncs.f90 | 15 +++++++++++++++ .../secondorder/configuration/customRateFuncs.f90 | 15 +++++++++++++++ .../configuration/customRateFuncs.f90 | 15 +++++++++++++++ .../configuration/customRateFuncs.f90 | 15 +++++++++++++++ .../configuration/customRateFuncs.f90 | 15 +++++++++++++++ .../configuration/customRateFuncs.f90 | 15 +++++++++++++++ .../static/configuration/customRateFuncs.f90 | 15 +++++++++++++++ 12 files changed, 180 insertions(+) diff --git a/model/configuration/customRateFuncs.f90 b/model/configuration/customRateFuncs.f90 index 6704277cd..04e30b8d2 100644 --- a/model/configuration/customRateFuncs.f90 +++ b/model/configuration/customRateFuncs.f90 @@ -1,3 +1,18 @@ +! ----------------------------------------------------------------------------- +! +! Copyright (c) 2009 - 2012 Chris Martin, Kasia Boronska, Jenny Young, +! Peter Jimack, Mike Pilling +! +! Copyright (c) 2017 Sam Cox, Roberto Sommariva +! +! Copyright (c) 2023 Alfred Mayhew +! +! This file is part of the AtChem2 software package. +! +! This file is covered by the MIT license which can be found in the file +! LICENSE.md at the top level of the AtChem2 distribution. +! +! ----------------------------------------------------------------------------- ! ******************************************************************** ! ! ATCHEM2 -- MODULE customRateFunctions ! diff --git a/tests/model_tests/env_model_1/configuration/customRateFuncs.f90 b/tests/model_tests/env_model_1/configuration/customRateFuncs.f90 index 6704277cd..04e30b8d2 100644 --- a/tests/model_tests/env_model_1/configuration/customRateFuncs.f90 +++ b/tests/model_tests/env_model_1/configuration/customRateFuncs.f90 @@ -1,3 +1,18 @@ +! ----------------------------------------------------------------------------- +! +! Copyright (c) 2009 - 2012 Chris Martin, Kasia Boronska, Jenny Young, +! Peter Jimack, Mike Pilling +! +! Copyright (c) 2017 Sam Cox, Roberto Sommariva +! +! Copyright (c) 2023 Alfred Mayhew +! +! This file is part of the AtChem2 software package. +! +! This file is covered by the MIT license which can be found in the file +! LICENSE.md at the top level of the AtChem2 distribution. +! +! ----------------------------------------------------------------------------- ! ******************************************************************** ! ! ATCHEM2 -- MODULE customRateFunctions ! diff --git a/tests/model_tests/env_model_2/configuration/customRateFuncs.f90 b/tests/model_tests/env_model_2/configuration/customRateFuncs.f90 index 6704277cd..04e30b8d2 100644 --- a/tests/model_tests/env_model_2/configuration/customRateFuncs.f90 +++ b/tests/model_tests/env_model_2/configuration/customRateFuncs.f90 @@ -1,3 +1,18 @@ +! ----------------------------------------------------------------------------- +! +! Copyright (c) 2009 - 2012 Chris Martin, Kasia Boronska, Jenny Young, +! Peter Jimack, Mike Pilling +! +! Copyright (c) 2017 Sam Cox, Roberto Sommariva +! +! Copyright (c) 2023 Alfred Mayhew +! +! This file is part of the AtChem2 software package. +! +! This file is covered by the MIT license which can be found in the file +! LICENSE.md at the top level of the AtChem2 distribution. +! +! ----------------------------------------------------------------------------- ! ******************************************************************** ! ! ATCHEM2 -- MODULE customRateFunctions ! diff --git a/tests/model_tests/env_model_3/configuration/customRateFuncs.f90 b/tests/model_tests/env_model_3/configuration/customRateFuncs.f90 index 6704277cd..04e30b8d2 100644 --- a/tests/model_tests/env_model_3/configuration/customRateFuncs.f90 +++ b/tests/model_tests/env_model_3/configuration/customRateFuncs.f90 @@ -1,3 +1,18 @@ +! ----------------------------------------------------------------------------- +! +! Copyright (c) 2009 - 2012 Chris Martin, Kasia Boronska, Jenny Young, +! Peter Jimack, Mike Pilling +! +! Copyright (c) 2017 Sam Cox, Roberto Sommariva +! +! Copyright (c) 2023 Alfred Mayhew +! +! This file is part of the AtChem2 software package. +! +! This file is covered by the MIT license which can be found in the file +! LICENSE.md at the top level of the AtChem2 distribution. +! +! ----------------------------------------------------------------------------- ! ******************************************************************** ! ! ATCHEM2 -- MODULE customRateFunctions ! diff --git a/tests/model_tests/env_model_4/configuration/customRateFuncs.f90 b/tests/model_tests/env_model_4/configuration/customRateFuncs.f90 index 6704277cd..04e30b8d2 100644 --- a/tests/model_tests/env_model_4/configuration/customRateFuncs.f90 +++ b/tests/model_tests/env_model_4/configuration/customRateFuncs.f90 @@ -1,3 +1,18 @@ +! ----------------------------------------------------------------------------- +! +! Copyright (c) 2009 - 2012 Chris Martin, Kasia Boronska, Jenny Young, +! Peter Jimack, Mike Pilling +! +! Copyright (c) 2017 Sam Cox, Roberto Sommariva +! +! Copyright (c) 2023 Alfred Mayhew +! +! This file is part of the AtChem2 software package. +! +! This file is covered by the MIT license which can be found in the file +! LICENSE.md at the top level of the AtChem2 distribution. +! +! ----------------------------------------------------------------------------- ! ******************************************************************** ! ! ATCHEM2 -- MODULE customRateFunctions ! diff --git a/tests/model_tests/firstorder/configuration/customRateFuncs.f90 b/tests/model_tests/firstorder/configuration/customRateFuncs.f90 index 6704277cd..04e30b8d2 100644 --- a/tests/model_tests/firstorder/configuration/customRateFuncs.f90 +++ b/tests/model_tests/firstorder/configuration/customRateFuncs.f90 @@ -1,3 +1,18 @@ +! ----------------------------------------------------------------------------- +! +! Copyright (c) 2009 - 2012 Chris Martin, Kasia Boronska, Jenny Young, +! Peter Jimack, Mike Pilling +! +! Copyright (c) 2017 Sam Cox, Roberto Sommariva +! +! Copyright (c) 2023 Alfred Mayhew +! +! This file is part of the AtChem2 software package. +! +! This file is covered by the MIT license which can be found in the file +! LICENSE.md at the top level of the AtChem2 distribution. +! +! ----------------------------------------------------------------------------- ! ******************************************************************** ! ! ATCHEM2 -- MODULE customRateFunctions ! diff --git a/tests/model_tests/secondorder/configuration/customRateFuncs.f90 b/tests/model_tests/secondorder/configuration/customRateFuncs.f90 index 6704277cd..04e30b8d2 100644 --- a/tests/model_tests/secondorder/configuration/customRateFuncs.f90 +++ b/tests/model_tests/secondorder/configuration/customRateFuncs.f90 @@ -1,3 +1,18 @@ +! ----------------------------------------------------------------------------- +! +! Copyright (c) 2009 - 2012 Chris Martin, Kasia Boronska, Jenny Young, +! Peter Jimack, Mike Pilling +! +! Copyright (c) 2017 Sam Cox, Roberto Sommariva +! +! Copyright (c) 2023 Alfred Mayhew +! +! This file is part of the AtChem2 software package. +! +! This file is covered by the MIT license which can be found in the file +! LICENSE.md at the top level of the AtChem2 distribution. +! +! ----------------------------------------------------------------------------- ! ******************************************************************** ! ! ATCHEM2 -- MODULE customRateFunctions ! diff --git a/tests/model_tests/spec_model_1/configuration/customRateFuncs.f90 b/tests/model_tests/spec_model_1/configuration/customRateFuncs.f90 index 6704277cd..04e30b8d2 100644 --- a/tests/model_tests/spec_model_1/configuration/customRateFuncs.f90 +++ b/tests/model_tests/spec_model_1/configuration/customRateFuncs.f90 @@ -1,3 +1,18 @@ +! ----------------------------------------------------------------------------- +! +! Copyright (c) 2009 - 2012 Chris Martin, Kasia Boronska, Jenny Young, +! Peter Jimack, Mike Pilling +! +! Copyright (c) 2017 Sam Cox, Roberto Sommariva +! +! Copyright (c) 2023 Alfred Mayhew +! +! This file is part of the AtChem2 software package. +! +! This file is covered by the MIT license which can be found in the file +! LICENSE.md at the top level of the AtChem2 distribution. +! +! ----------------------------------------------------------------------------- ! ******************************************************************** ! ! ATCHEM2 -- MODULE customRateFunctions ! diff --git a/tests/model_tests/spec_model_func/configuration/customRateFuncs.f90 b/tests/model_tests/spec_model_func/configuration/customRateFuncs.f90 index 997d344b0..2c6caf6c2 100644 --- a/tests/model_tests/spec_model_func/configuration/customRateFuncs.f90 +++ b/tests/model_tests/spec_model_func/configuration/customRateFuncs.f90 @@ -1,3 +1,18 @@ +! ----------------------------------------------------------------------------- +! +! Copyright (c) 2009 - 2012 Chris Martin, Kasia Boronska, Jenny Young, +! Peter Jimack, Mike Pilling +! +! Copyright (c) 2017 Sam Cox, Roberto Sommariva +! +! Copyright (c) 2023 Alfred Mayhew +! +! This file is part of the AtChem2 software package. +! +! This file is covered by the MIT license which can be found in the file +! LICENSE.md at the top level of the AtChem2 distribution. +! +! ----------------------------------------------------------------------------- ! ******************************************************************** ! ! ATCHEM2 -- MODULE customRateFunctions ! diff --git a/tests/model_tests/spec_model_kpp/configuration/customRateFuncs.f90 b/tests/model_tests/spec_model_kpp/configuration/customRateFuncs.f90 index 6704277cd..04e30b8d2 100644 --- a/tests/model_tests/spec_model_kpp/configuration/customRateFuncs.f90 +++ b/tests/model_tests/spec_model_kpp/configuration/customRateFuncs.f90 @@ -1,3 +1,18 @@ +! ----------------------------------------------------------------------------- +! +! Copyright (c) 2009 - 2012 Chris Martin, Kasia Boronska, Jenny Young, +! Peter Jimack, Mike Pilling +! +! Copyright (c) 2017 Sam Cox, Roberto Sommariva +! +! Copyright (c) 2023 Alfred Mayhew +! +! This file is part of the AtChem2 software package. +! +! This file is covered by the MIT license which can be found in the file +! LICENSE.md at the top level of the AtChem2 distribution. +! +! ----------------------------------------------------------------------------- ! ******************************************************************** ! ! ATCHEM2 -- MODULE customRateFunctions ! diff --git a/tests/model_tests/spec_model_stoich/configuration/customRateFuncs.f90 b/tests/model_tests/spec_model_stoich/configuration/customRateFuncs.f90 index 6704277cd..04e30b8d2 100644 --- a/tests/model_tests/spec_model_stoich/configuration/customRateFuncs.f90 +++ b/tests/model_tests/spec_model_stoich/configuration/customRateFuncs.f90 @@ -1,3 +1,18 @@ +! ----------------------------------------------------------------------------- +! +! Copyright (c) 2009 - 2012 Chris Martin, Kasia Boronska, Jenny Young, +! Peter Jimack, Mike Pilling +! +! Copyright (c) 2017 Sam Cox, Roberto Sommariva +! +! Copyright (c) 2023 Alfred Mayhew +! +! This file is part of the AtChem2 software package. +! +! This file is covered by the MIT license which can be found in the file +! LICENSE.md at the top level of the AtChem2 distribution. +! +! ----------------------------------------------------------------------------- ! ******************************************************************** ! ! ATCHEM2 -- MODULE customRateFunctions ! diff --git a/tests/model_tests/static/configuration/customRateFuncs.f90 b/tests/model_tests/static/configuration/customRateFuncs.f90 index 6704277cd..04e30b8d2 100644 --- a/tests/model_tests/static/configuration/customRateFuncs.f90 +++ b/tests/model_tests/static/configuration/customRateFuncs.f90 @@ -1,3 +1,18 @@ +! ----------------------------------------------------------------------------- +! +! Copyright (c) 2009 - 2012 Chris Martin, Kasia Boronska, Jenny Young, +! Peter Jimack, Mike Pilling +! +! Copyright (c) 2017 Sam Cox, Roberto Sommariva +! +! Copyright (c) 2023 Alfred Mayhew +! +! This file is part of the AtChem2 software package. +! +! This file is covered by the MIT license which can be found in the file +! LICENSE.md at the top level of the AtChem2 distribution. +! +! ----------------------------------------------------------------------------- ! ******************************************************************** ! ! ATCHEM2 -- MODULE customRateFunctions !