From 0f5a498adc632a10467b4156ee2fc63140b73218 Mon Sep 17 00:00:00 2001 From: Sam Cox Date: Wed, 13 Jun 2018 13:40:20 +0100 Subject: [PATCH 01/10] First attempt at upgrade. Largely works, with small-ish errors, but needs more exploration (and only solverType==2 is tested in the testsuite). --- src/atchem2.f90 | 13 ++++++++++--- tools/install/install_cvode.sh | 12 ++++++------ 2 files changed, 16 insertions(+), 9 deletions(-) diff --git a/src/atchem2.f90 b/src/atchem2.f90 index d9f6ba8c5..b5ea327f8 100644 --- a/src/atchem2.f90 +++ b/src/atchem2.f90 @@ -327,11 +327,16 @@ end subroutine FCVFUN ! SELECT SOLVER TYPE ACCORDING TO FILE INPUT ! SPGMR SOLVER if ( solverType == 1 ) then - call FCVSPGMR( 0, 1, lookBack, deltaMain, ier ) + call FSUNSPGMRINIT( 1, 0, lookBack, ier ) + ! call FCVSPGMR( 0, 1, lookBack, deltaMain, ier ) + call FCVSPILSINIT( ier ) ! SPGMR SOLVER WITH BANDED PRECONDITIONER else if ( solverType == 2 ) then - call FCVSPGMR( 1, 1, lookBack, deltaMain, ier ) + call FSUNSPGMRINIT( 1, 1, lookBack, ier ) + call FCVSPILSINIT( ier ) call FCVBPINIT( neq, preconBandUpper, preconBandLower, ier ) + ! call FCVSPGMR( 1, 1, lookBack, deltaMain, ier ) + ! call FCVBPINIT( neq, preconBandUpper, preconBandLower, ier ) if ( ier /= 0 ) then write (stderr,*) 'SUNDIALS_ERROR: preconditioner returned ier = ', ier ; call FCVFREE() @@ -339,7 +344,9 @@ end subroutine FCVFUN end if ! DENSE SOLVER else if ( solverType == 3 ) then - call FCVDENSE( neq, ier ) + call FSUNDENSEMATINIT( 1, neq, neq, ier ) + ! call FCVDENSE( neq, ier ) + call FCVDLSINIT( ier ) ! UNEXPECTED SOLVER TYPE else write (stderr,*) 'Error with solverType input, input = ', solverType diff --git a/tools/install/install_cvode.sh b/tools/install/install_cvode.sh index 5570d4c84..516922323 100755 --- a/tools/install/install_cvode.sh +++ b/tools/install/install_cvode.sh @@ -23,7 +23,7 @@ OS=$(uname -s) if [ "$OS" == 'Darwin' ]; then LAPACK_LIBS=/usr/lib/liblapack.dylib:/usr/lib/libblas.dylib else - LAPACK_LIBS=/usr/lib/liblapack.so:/usr/lib/libblas.so + LAPACK_LIBS=/usr/lib/liblapack.dylib:/usr/lib/libblas.dylib fi # Ensure a first argument is provided, and that it is an existing directory if [ -z "$1" ] ; then @@ -60,15 +60,15 @@ fi # Move to provided directory cd $cvode_dir -wget https://computation.llnl.gov/projects/sundials/download/sundials-2.7.0.tar.gz -tar -zxf sundials-2.7.0.tar.gz -rm sundials-2.7.0.tar.gz -cd sundials-2.7.0/ +wget https://computation.llnl.gov/projects/sundials/download/cvode-3.1.1.tar.gz +tar -zxf cvode-3.1.1.tar.gz +rm cvode-3.1.1.tar.gz +cd cvode-3.1.1/ mkdir build cd build -cmake -DCMAKE_INSTALL_PREFIX=$cvode_dir/cvode \ +cmake -DCMAKE_INSTALL_PREFIX=$cvode_dir/cvode-3.1.1-install \ -DCMAKE_C_COMPILER:FILEPATH=gcc \ -DCMAKE_Fortran_COMPILER=$FORT_COMP \ -DBUILD_ARKODE:BOOL=OFF \ From 50833c217487cca74336a064cda9ad9fed049843 Mon Sep 17 00:00:00 2001 From: Sam Cox Date: Thu, 14 Jun 2018 10:23:23 +0100 Subject: [PATCH 02/10] Correct lapack/blas locations in cvode install. --- tools/install/install_cvode.sh | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tools/install/install_cvode.sh b/tools/install/install_cvode.sh index 516922323..9aa7ad1a1 100755 --- a/tools/install/install_cvode.sh +++ b/tools/install/install_cvode.sh @@ -23,7 +23,7 @@ OS=$(uname -s) if [ "$OS" == 'Darwin' ]; then LAPACK_LIBS=/usr/lib/liblapack.dylib:/usr/lib/libblas.dylib else - LAPACK_LIBS=/usr/lib/liblapack.dylib:/usr/lib/libblas.dylib + LAPACK_LIBS=/usr/lib/liblapack.so:/usr/lib/libblas.so fi # Ensure a first argument is provided, and that it is an existing directory if [ -z "$1" ] ; then From b5151d70175307bd953b9dd28a0f94e58620b396 Mon Sep 17 00:00:00 2001 From: Sam Cox Date: Thu, 14 Jun 2018 10:25:41 +0100 Subject: [PATCH 03/10] Temporarily change cvode location. --- tools/Makefile | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/tools/Makefile b/tools/Makefile index 101775f17..9d76b9de4 100644 --- a/tools/Makefile +++ b/tools/Makefile @@ -28,11 +28,11 @@ ifeq ($(TRAVIS),true) ifeq ($(TRAVIS_OS_NAME),linux) # if linux, pass gfortran FORT_COMP = gfortran -FORT_LIB = "" +CVODELIB = /home/travis/build/AtChem/AtChem2/cvode-3.1.1-install/lib else # if macOS, pass homebrew gfortran FORT_COMP = /usr/local/Cellar/gcc@4.9/4.9.4_1/bin/gfortran-4.9 -FORT_LIB = /usr/local/Cellar/gcc@4.9/4.9.4_1/lib/gcc/4.9 +CVODELIB = /Users/travis/build/AtChem/AtChem2/cvode-3.1.1-install/lib endif # else it's not on Travis, so set the fortran compiler as gfortran else From 8869c1f26bdb772e27efced5cb4abc2f24101ab0 Mon Sep 17 00:00:00 2001 From: Sam Cox Date: Thu, 14 Jun 2018 14:16:34 +0100 Subject: [PATCH 04/10] Add missing SUNMATRIX module initialization in the DENSE solver case (solverType==3). --- src/atchem2.f90 | 1 + 1 file changed, 1 insertion(+) diff --git a/src/atchem2.f90 b/src/atchem2.f90 index b5ea327f8..d25bcb3a9 100644 --- a/src/atchem2.f90 +++ b/src/atchem2.f90 @@ -346,6 +346,7 @@ end subroutine FCVFUN else if ( solverType == 3 ) then call FSUNDENSEMATINIT( 1, neq, neq, ier ) ! call FCVDENSE( neq, ier ) + call FSUNDENSELINSOLINIT( 1, ier ) call FCVDLSINIT( ier ) ! UNEXPECTED SOLVER TYPE else From 56b04ee27d3cb398c65844c87fbeafffc5ab1755 Mon Sep 17 00:00:00 2001 From: Sam Cox Date: Wed, 22 Aug 2018 10:51:45 +0100 Subject: [PATCH 05/10] Move to cvode 3.1.2 and fix FORT_LIB. --- tools/Makefile | 6 ++++-- tools/install/install_cvode.sh | 10 +++++----- 2 files changed, 9 insertions(+), 7 deletions(-) diff --git a/tools/Makefile b/tools/Makefile index 9d76b9de4..52b70999e 100644 --- a/tools/Makefile +++ b/tools/Makefile @@ -28,11 +28,13 @@ ifeq ($(TRAVIS),true) ifeq ($(TRAVIS_OS_NAME),linux) # if linux, pass gfortran FORT_COMP = gfortran -CVODELIB = /home/travis/build/AtChem/AtChem2/cvode-3.1.1-install/lib +FORT_LIB = "" +CVODELIB = /home/travis/build/AtChem/AtChem2/cvode-3.1.2-install/lib else # if macOS, pass homebrew gfortran FORT_COMP = /usr/local/Cellar/gcc@4.9/4.9.4_1/bin/gfortran-4.9 -CVODELIB = /Users/travis/build/AtChem/AtChem2/cvode-3.1.1-install/lib +FORT_LIB = /usr/local/Cellar/gcc@4.9/4.9.4_1/lib/gcc/4.9 +CVODELIB = /Users/travis/build/AtChem/AtChem2/cvode-3.1.2-install/lib endif # else it's not on Travis, so set the fortran compiler as gfortran else diff --git a/tools/install/install_cvode.sh b/tools/install/install_cvode.sh index 9aa7ad1a1..0b6680489 100755 --- a/tools/install/install_cvode.sh +++ b/tools/install/install_cvode.sh @@ -60,15 +60,15 @@ fi # Move to provided directory cd $cvode_dir -wget https://computation.llnl.gov/projects/sundials/download/cvode-3.1.1.tar.gz -tar -zxf cvode-3.1.1.tar.gz -rm cvode-3.1.1.tar.gz -cd cvode-3.1.1/ +wget https://computation.llnl.gov/projects/sundials/download/cvode-3.1.2.tar.gz +tar -zxf cvode-3.1.2.tar.gz +rm cvode-3.1.2.tar.gz +cd cvode-3.1.2/ mkdir build cd build -cmake -DCMAKE_INSTALL_PREFIX=$cvode_dir/cvode-3.1.1-install \ +cmake -DCMAKE_INSTALL_PREFIX=$cvode_dir/cvode-3.1.2-install \ -DCMAKE_C_COMPILER:FILEPATH=gcc \ -DCMAKE_Fortran_COMPILER=$FORT_COMP \ -DBUILD_ARKODE:BOOL=OFF \ From c5da7cd368dd65726355ef04e507c8c51dc20b3f Mon Sep 17 00:00:00 2001 From: Sam Cox Date: Wed, 22 Aug 2018 11:16:46 +0100 Subject: [PATCH 06/10] Fix style in atchem.f90. --- src/atchem2.f90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/atchem2.f90 b/src/atchem2.f90 index d25bcb3a9..61fea83f2 100644 --- a/src/atchem2.f90 +++ b/src/atchem2.f90 @@ -344,7 +344,7 @@ end subroutine FCVFUN end if ! DENSE SOLVER else if ( solverType == 3 ) then - call FSUNDENSEMATINIT( 1, neq, neq, ier ) + call FSUNDENSEMATINIT( 1, neq, neq, ier ) ! call FCVDENSE( neq, ier ) call FSUNDENSELINSOLINIT( 1, ier ) call FCVDLSINIT( ier ) From 96603efe3560ea1e7b798525029f9ec479e3d06b Mon Sep 17 00:00:00 2001 From: Sam Cox Date: Wed, 22 Aug 2018 11:18:24 +0100 Subject: [PATCH 07/10] Fix style in outputFunctions.f90 (whitespace). --- src/outputFunctions.f90 | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/outputFunctions.f90 b/src/outputFunctions.f90 index 004b3f797..283ee7721 100644 --- a/src/outputFunctions.f90 +++ b/src/outputFunctions.f90 @@ -333,7 +333,7 @@ end subroutine outputInstantaneousRates subroutine outputSpeciesOfInterest( t, specOutReqNames, allSpeciesConcs ) use types_mod use storage_mod, only : maxSpecLength - use config_functions_mod, only: getConcForSpeciesOfInterest + use config_functions_mod, only : getConcForSpeciesOfInterest implicit none real(kind=DP), intent(in) :: t From f53e49b359ff5505217302634b9a506274309a18 Mon Sep 17 00:00:00 2001 From: Sam Cox Date: Wed, 22 Aug 2018 11:30:41 +0100 Subject: [PATCH 08/10] Explore cvode 3 directory. --- .travis.yml | 1 + 1 file changed, 1 insertion(+) diff --git a/.travis.yml b/.travis.yml index 7bc594283..e1bda1dee 100644 --- a/.travis.yml +++ b/.travis.yml @@ -39,6 +39,7 @@ - ./tools/build.sh ./tools/mcm_example.fac script: + - if [[ "$TRAVIS_OS_NAME" == "osx" ]]; then ls -R /Users/travis/build/AtChem/AtChem2/cvode-3.1.2-install/ ; fi - ./atchem2 - if [[ "$TRAVIS_OS_NAME" == "linux" ]]; then bash <(curl -s https://codecov.io/bash) -F build ; fi - make clean From f1987572d886e2aca3ad990272a47c87b676f2af Mon Sep 17 00:00:00 2001 From: Sam Cox Date: Wed, 22 Aug 2018 11:45:53 +0100 Subject: [PATCH 09/10] Remove ls, and fix DYLD_LIBRARY_PATH for new cvode install. --- .travis.yml | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/.travis.yml b/.travis.yml index e1bda1dee..4367d6f37 100644 --- a/.travis.yml +++ b/.travis.yml @@ -23,7 +23,7 @@ - numdiff before_install: - - if [[ "$TRAVIS_OS_NAME" == "osx" ]]; then export DYLD_LIBRARY_PATH=$PWD/cvode/lib:$PWD/openlibm-0.4.1 ; fi + - if [[ "$TRAVIS_OS_NAME" == "osx" ]]; then export DYLD_LIBRARY_PATH=$PWD/cvode-3.1.2-install/lib:$PWD/openlibm-0.4.1 ; fi - if [[ "$TRAVIS_OS_NAME" == "osx" ]]; then rm '/usr/local/include/c++' ; fi - if [[ "$TRAVIS_OS_NAME" == "osx" ]]; then ./tools/install/install_cvode.sh $PWD /usr/local/Cellar/gcc@4.9/4.9.4_1/bin/gfortran-4.9 ; fi - if [[ "$TRAVIS_OS_NAME" == "linux" ]]; then ./tools/install/install_cvode.sh $PWD /usr/bin/gfortran ; fi @@ -39,7 +39,6 @@ - ./tools/build.sh ./tools/mcm_example.fac script: - - if [[ "$TRAVIS_OS_NAME" == "osx" ]]; then ls -R /Users/travis/build/AtChem/AtChem2/cvode-3.1.2-install/ ; fi - ./atchem2 - if [[ "$TRAVIS_OS_NAME" == "linux" ]]; then bash <(curl -s https://codecov.io/bash) -F build ; fi - make clean From b24f46827fdf0ac7000b10cbb3aced759b37e890 Mon Sep 17 00:00:00 2001 From: Sam Cox Date: Thu, 23 Aug 2018 10:09:07 +0100 Subject: [PATCH 10/10] Add changes to output files. None seem to be major, based on looking at the output of the plotting tools. --- travis/tests/full/full.out.cmp | 2 +- .../output/mainSolverParameters.output.cmp | 10 +- .../output/mainSolverParameters.output.cmp | 6 +- .../output/mainSolverParameters.output.cmp | 6 +- .../output/mainSolverParameters.output.cmp | 20 +- .../output/environmentVariables.output.cmp | 6 +- .../output/finalModelState.output.cmp | 200 +++--- .../output/instantaneousRates/43500.cmp | 640 +++++++++--------- .../output/instantaneousRates/43800.cmp | 640 +++++++++--------- .../output/instantaneousRates/44100.cmp | 640 +++++++++--------- .../short_ext1/output/lossRates.output.cmp | 244 +++---- .../output/mainSolverParameters.output.cmp | 6 +- .../output/photolysisRates.output.cmp | 6 +- .../photolysisRatesParameters.output.cmp | 4 +- .../output/productionRates.output.cmp | 228 +++---- .../output/speciesConcentrations.output.cmp | 6 +- travis/tests/short_ext1/short_ext1.out.cmp | 6 +- .../output/environmentVariables.output.cmp | 6 +- .../output/finalModelState.output.cmp | 200 +++--- .../output/instantaneousRates/43500.cmp | 640 +++++++++--------- .../output/instantaneousRates/43800.cmp | 640 +++++++++--------- .../output/instantaneousRates/44100.cmp | 640 +++++++++--------- .../short_ext2/output/lossRates.output.cmp | 244 +++---- .../output/mainSolverParameters.output.cmp | 6 +- .../output/photolysisRates.output.cmp | 6 +- .../photolysisRatesParameters.output.cmp | 4 +- .../output/productionRates.output.cmp | 228 +++---- .../output/speciesConcentrations.output.cmp | 6 +- travis/tests/short_ext2/short_ext2.out.cmp | 6 +- .../output/environmentVariables.output.cmp | 6 +- .../output/finalModelState.output.cmp | 200 +++--- .../output/instantaneousRates/43500.cmp | 640 +++++++++--------- .../output/instantaneousRates/43800.cmp | 640 +++++++++--------- .../output/instantaneousRates/44100.cmp | 640 +++++++++--------- .../short_ext3/output/lossRates.output.cmp | 244 +++---- .../output/mainSolverParameters.output.cmp | 6 +- .../output/photolysisRates.output.cmp | 6 +- .../photolysisRatesParameters.output.cmp | 4 +- .../output/productionRates.output.cmp | 228 +++---- .../output/speciesConcentrations.output.cmp | 6 +- travis/tests/short_ext3/short_ext3.out.cmp | 6 +- .../output/environmentVariables.output.cmp | 6 +- .../output/finalModelState.output.cmp | 200 +++--- .../output/instantaneousRates/43500.cmp | 640 +++++++++--------- .../output/instantaneousRates/43800.cmp | 640 +++++++++--------- .../output/instantaneousRates/44100.cmp | 640 +++++++++--------- .../short_ext4/output/lossRates.output.cmp | 244 +++---- .../output/mainSolverParameters.output.cmp | 6 +- .../output/photolysisRates.output.cmp | 6 +- .../photolysisRatesParameters.output.cmp | 4 +- .../output/productionRates.output.cmp | 228 +++---- .../output/speciesConcentrations.output.cmp | 6 +- travis/tests/short_ext4/short_ext4.out.cmp | 6 +- .../output/mainSolverParameters.output.cmp | 6 +- .../output/environmentVariables.output.cmp | 8 +- .../output/finalModelState.output.cmp | 14 +- .../output/instantaneousRates/3600.cmp | 30 +- .../output/lossRates.output.cmp | 16 +- .../output/mainSolverParameters.output.cmp | 8 +- .../photolysisRatesParameters.output.cmp | 6 +- .../spec_no_env_yes1/spec_no_env_yes1.out.cmp | 6 +- .../output/environmentVariables.output.cmp | 2 +- .../output/finalModelState.output.cmp | 14 +- .../output/instantaneousRates/300.cmp | 28 +- .../output/mainSolverParameters.output.cmp | 2 +- .../spec_no_env_yes2/spec_no_env_yes2.out.cmp | 6 +- .../output/environmentVariables.output.cmp | 4 +- .../output/finalModelState.output.cmp | 48 +- .../output/instantaneousRates/36400.cmp | 132 ++-- .../output/mainSolverParameters.output.cmp | 4 +- .../output/photolysisRates.output.cmp | 4 +- .../photolysisRatesParameters.output.cmp | 2 +- .../output/speciesConcentrations.output.cmp | 4 +- .../spec_yes_env_no/spec_yes_env_no.out.cmp | 6 +- .../output/environmentVariables.output.cmp | 4 +- .../output/finalModelState.output.cmp | 48 +- .../output/instantaneousRates/36400.cmp | 132 ++-- .../output/lossRates.output.cmp | 56 +- .../output/mainSolverParameters.output.cmp | 4 +- .../output/photolysisRates.output.cmp | 4 +- .../photolysisRatesParameters.output.cmp | 2 +- .../output/productionRates.output.cmp | 46 +- .../output/speciesConcentrations.output.cmp | 4 +- .../spec_yes_env_no_with_jfac.out.cmp | 6 +- .../output/environmentVariables.output.cmp | 4 +- .../output/finalModelState.output.cmp | 48 +- .../output/instantaneousRates/36400.cmp | 132 ++-- .../output/lossRates.output.cmp | 56 +- .../output/mainSolverParameters.output.cmp | 4 +- .../output/photolysisRates.output.cmp | 4 +- .../photolysisRatesParameters.output.cmp | 2 +- .../output/productionRates.output.cmp | 46 +- .../output/speciesConcentrations.output.cmp | 4 +- .../spec_yes_env_no_with_jfac_fixed.out.cmp | 6 +- .../output/environmentVariables.output.cmp | 4 +- .../output/finalModelState.output.cmp | 48 +- .../output/instantaneousRates/36400.cmp | 132 ++-- .../output/mainSolverParameters.output.cmp | 4 +- .../output/photolysisRates.output.cmp | 4 +- .../photolysisRatesParameters.output.cmp | 2 +- .../output/speciesConcentrations.output.cmp | 4 +- .../spec_yes_env_no_with_photo.out.cmp | 6 +- .../output/environmentVariables.output.cmp | 2 +- .../output/finalModelState.output.cmp | 12 +- .../output/mainSolverParameters.output.cmp | 2 +- .../output/speciesConcentrations.output.cmp | 2 +- .../spec_yes_env_yes/spec_yes_env_yes.out.cmp | 6 +- .../output/finalModelState.output.cmp | 14 +- .../output/instantaneousRates/300.cmp | 16 +- .../output/instantaneousRates/600.cmp | 16 +- .../output/instantaneousRates/900.cmp | 16 +- .../output/mainSolverParameters.output.cmp | 6 +- .../photolysisRatesParameters.output.cmp | 4 +- .../output/speciesConcentrations.output.cmp | 6 +- .../spec_yes_plus_fixed_env_no.out.cmp | 4 +- 115 files changed, 5910 insertions(+), 5910 deletions(-) diff --git a/travis/tests/full/full.out.cmp b/travis/tests/full/full.out.cmp index 741ba40fc..b450dafcf 100644 --- a/travis/tests/full/full.out.cmp +++ b/travis/tests/full/full.out.cmp @@ -172,5 +172,5 @@ AtChem2 v1.1-dev No. nonlinear convergence failures = 0 No. error test failures = 0 - Runtime = 10 + Runtime = 12 Deallocating memory. diff --git a/travis/tests/full/output/mainSolverParameters.output.cmp b/travis/tests/full/output/mainSolverParameters.output.cmp index 62766cae7..76b797bc8 100644 --- a/travis/tests/full/output/mainSolverParameters.output.cmp +++ b/travis/tests/full/output/mainSolverParameters.output.cmp @@ -1,6 +1,6 @@ t currentStepSize previousStepSize LENRW LENIW NST NFE NETF NCFN NNI NSETUPS QU QCUR NOR LENRWLS LENIWLS LS_FLAG NFELS NJTV NPE NPS NLI NCFL - 4.50E+03 1.00000000E+002 1.00000000E+002 58409 50 10 14 0 0 10 2 1 1 0 622761 105 0 0 0 1 0 0 0 - 5.40E+03 1.00000000E+002 1.00000000E+002 58409 50 19 23 0 0 19 2 1 1 0 622761 105 0 0 0 1 0 0 0 - 6.30E+03 1.00000000E+002 1.00000000E+002 58409 50 28 32 0 0 28 3 1 1 0 622761 105 0 0 0 1 0 0 0 - 7.20E+03 1.00000000E+002 1.00000000E+002 58409 50 37 41 0 0 37 3 1 1 0 622761 105 0 0 0 1 0 0 0 - 8.10E+03 1.00000000E+002 1.00000000E+002 58409 50 46 50 0 0 46 4 1 1 0 622761 105 0 0 0 1 0 0 0 + 4.50E+03 1.00000000E+002 1.00000000E+002 58409 50 10 14 0 0 10 2 1 1 0 634429 117 0 0 0 1 0 0 0 + 5.40E+03 1.00000000E+002 1.00000000E+002 58409 50 19 23 0 0 19 2 1 1 0 634429 117 0 0 0 1 0 0 0 + 6.30E+03 1.00000000E+002 1.00000000E+002 58409 50 28 32 0 0 28 3 1 1 0 634429 117 0 0 0 1 0 0 0 + 7.20E+03 1.00000000E+002 1.00000000E+002 58409 50 37 41 0 0 37 3 1 1 0 634429 117 0 0 0 1 0 0 0 + 8.10E+03 1.00000000E+002 1.00000000E+002 58409 50 46 50 0 0 46 4 1 1 0 634429 117 0 0 0 1 0 0 0 diff --git a/travis/tests/short/output/mainSolverParameters.output.cmp b/travis/tests/short/output/mainSolverParameters.output.cmp index 0bbffd2f2..a92528768 100644 --- a/travis/tests/short/output/mainSolverParameters.output.cmp +++ b/travis/tests/short/output/mainSolverParameters.output.cmp @@ -1,4 +1,4 @@ t currentStepSize previousStepSize LENRW LENIW NST NFE NETF NCFN NNI NSETUPS QU QCUR NOR LENRWLS LENIWLS LS_FLAG NFELS NJTV NPE NPS NLI NCFL - 4.35E+04 1.00000000E+002 1.00000000E+002 1129 50 4 8 0 0 4 2 1 1 0 21321 105 0 0 0 1 0 0 0 - 4.38E+04 1.00000000E+002 1.00000000E+002 1129 50 7 11 0 0 7 2 1 1 0 21321 105 0 0 0 1 0 0 0 - 4.41E+04 1.00000000E+002 1.00000000E+002 1129 50 10 14 0 0 10 2 1 1 0 21321 105 0 0 0 1 0 0 0 + 4.35E+04 1.00000000E+002 1.00000000E+002 1129 50 4 8 0 0 4 2 1 1 0 21533 117 0 0 0 1 0 0 0 + 4.38E+04 1.00000000E+002 1.00000000E+002 1129 50 7 11 0 0 7 2 1 1 0 21533 117 0 0 0 1 0 0 0 + 4.41E+04 1.00000000E+002 1.00000000E+002 1129 50 10 14 0 0 10 2 1 1 0 21533 117 0 0 0 1 0 0 0 diff --git a/travis/tests/short_dense/output/mainSolverParameters.output.cmp b/travis/tests/short_dense/output/mainSolverParameters.output.cmp index dd4ef0272..2500c448d 100644 --- a/travis/tests/short_dense/output/mainSolverParameters.output.cmp +++ b/travis/tests/short_dense/output/mainSolverParameters.output.cmp @@ -1,4 +1,4 @@ t currentStepSize previousStepSize LENRW LENIW NST NFE NETF NCFN NNI NSETUPS QU QCUR NOR LENRWLS LENIWLS LS_FLAG NFELS NJE - 4.35E+04 1.00000000E+002 1.00000000E+002 1129 50 4 8 0 0 4 2 1 1 0 21632 104 0 104 1 - 4.38E+04 1.00000000E+002 1.00000000E+002 1129 50 7 11 0 0 7 2 1 1 0 21632 104 0 104 1 - 4.41E+04 1.00000000E+002 1.00000000E+002 1129 50 10 14 0 0 10 2 1 1 0 21632 104 0 104 1 + 4.35E+04 1.00000000E+002 1.00000000E+002 1129 50 4 8 0 0 4 2 1 1 0 10920 214 0 104 1 + 4.38E+04 1.00000000E+002 1.00000000E+002 1129 50 7 11 0 0 7 2 1 1 0 10920 214 0 104 1 + 4.41E+04 1.00000000E+002 1.00000000E+002 1129 50 10 14 0 0 10 2 1 1 0 10920 214 0 104 1 diff --git a/travis/tests/short_end_of_day/output/mainSolverParameters.output.cmp b/travis/tests/short_end_of_day/output/mainSolverParameters.output.cmp index cc9f9bfcc..b5cdc016a 100644 --- a/travis/tests/short_end_of_day/output/mainSolverParameters.output.cmp +++ b/travis/tests/short_end_of_day/output/mainSolverParameters.output.cmp @@ -1,11 +1,11 @@ t currentStepSize previousStepSize LENRW LENIW NST NFE NETF NCFN NNI NSETUPS QU QCUR NOR LENRWLS LENIWLS LS_FLAG NFELS NJTV NPE NPS NLI NCFL - 8.49E+04 1.00000000E+002 1.00000000E+002 1129 50 4 8 0 0 4 2 1 1 0 21321 105 0 0 0 1 0 0 0 - 8.52E+04 1.00000000E+002 1.00000000E+002 1129 50 7 11 0 0 7 2 1 1 0 21321 105 0 0 0 1 0 0 0 - 8.55E+04 1.00000000E+002 1.00000000E+002 1129 50 10 14 0 0 10 2 1 1 0 21321 105 0 0 0 1 0 0 0 - 8.58E+04 1.00000000E+002 1.00000000E+002 1129 50 13 17 0 0 13 2 1 1 0 21321 105 0 0 0 1 0 0 0 - 8.61E+04 1.00000000E+002 1.00000000E+002 1129 50 16 20 0 0 16 2 1 1 0 21321 105 0 0 0 1 0 0 0 - 8.64E+04 1.00000000E+002 1.00000000E+002 1129 50 19 23 0 0 19 2 1 1 0 21321 105 0 0 0 1 0 0 0 - 8.67E+04 1.00000000E+002 1.00000000E+002 1129 50 22 26 0 0 22 3 1 1 0 21321 105 0 0 0 1 0 0 0 - 8.70E+04 1.00000000E+002 1.00000000E+002 1129 50 25 29 0 0 25 3 1 1 0 21321 105 0 0 0 1 0 0 0 - 8.73E+04 1.00000000E+002 1.00000000E+002 1129 50 28 32 0 0 28 3 1 1 0 21321 105 0 0 0 1 0 0 0 - 8.76E+04 1.00000000E+002 1.00000000E+002 1129 50 31 35 0 0 31 3 1 1 0 21321 105 0 0 0 1 0 0 0 + 8.49E+04 1.00000000E+002 1.00000000E+002 1129 50 4 8 0 0 4 2 1 1 0 21533 117 0 0 0 1 0 0 0 + 8.52E+04 1.00000000E+002 1.00000000E+002 1129 50 7 11 0 0 7 2 1 1 0 21533 117 0 0 0 1 0 0 0 + 8.55E+04 1.00000000E+002 1.00000000E+002 1129 50 10 14 0 0 10 2 1 1 0 21533 117 0 0 0 1 0 0 0 + 8.58E+04 1.00000000E+002 1.00000000E+002 1129 50 13 17 0 0 13 2 1 1 0 21533 117 0 0 0 1 0 0 0 + 8.61E+04 1.00000000E+002 1.00000000E+002 1129 50 16 20 0 0 16 2 1 1 0 21533 117 0 0 0 1 0 0 0 + 8.64E+04 1.00000000E+002 1.00000000E+002 1129 50 19 23 0 0 19 2 1 1 0 21533 117 0 0 0 1 0 0 0 + 8.67E+04 1.00000000E+002 1.00000000E+002 1129 50 22 26 0 0 22 3 1 1 0 21533 117 0 0 0 1 0 0 0 + 8.70E+04 1.00000000E+002 1.00000000E+002 1129 50 25 29 0 0 25 3 1 1 0 21533 117 0 0 0 1 0 0 0 + 8.73E+04 1.00000000E+002 1.00000000E+002 1129 50 28 32 0 0 28 3 1 1 0 21533 117 0 0 0 1 0 0 0 + 8.76E+04 1.00000000E+002 1.00000000E+002 1129 50 31 35 0 0 31 3 1 1 0 21533 117 0 0 0 1 0 0 0 diff --git a/travis/tests/short_ext1/output/environmentVariables.output.cmp b/travis/tests/short_ext1/output/environmentVariables.output.cmp index e6183dc7a..0d330e378 100644 --- a/travis/tests/short_ext1/output/environmentVariables.output.cmp +++ b/travis/tests/short_ext1/output/environmentVariables.output.cmp @@ -1,4 +1,4 @@ t M TEMP PRESS RH H2O DEC BLHEIGHT DILUTE JFAC ROOFOPEN RO2 - 4.350000E+004 2.445710E+019 3.000000E+002 1.013000E+003 -1.000000E+000 7.020000E+017 1.925804E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 1.702440E+007 - 4.380000E+004 2.445710E+019 3.000000E+002 1.013000E+003 -1.000000E+000 7.020000E+017 1.925804E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 2.499414E+007 - 4.410000E+004 2.445710E+019 3.000000E+002 1.013000E+003 -1.000000E+000 7.020000E+017 1.925804E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 3.245431E+007 + 4.350000E+004 2.445710E+019 3.000000E+002 1.013000E+003 -1.000000E+000 7.020000E+017 1.925804E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 1.702469E+007 + 4.380000E+004 2.445710E+019 3.000000E+002 1.013000E+003 -1.000000E+000 7.020000E+017 1.925804E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 2.499424E+007 + 4.410000E+004 2.445710E+019 3.000000E+002 1.013000E+003 -1.000000E+000 7.020000E+017 1.925804E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 3.245428E+007 diff --git a/travis/tests/short_ext1/output/finalModelState.output.cmp b/travis/tests/short_ext1/output/finalModelState.output.cmp index 8892c6de0..9f7794998 100644 --- a/travis/tests/short_ext1/output/finalModelState.output.cmp +++ b/travis/tests/short_ext1/output/finalModelState.output.cmp @@ -1,104 +1,104 @@ - O 7412.2375533713393 - O3 1194363491044.2952 - NO 934984482.09758961 - NO2 2844136563.7568483 - NO3 770930.24831808871 - O1D 2.7419030210709381E-002 - N2O5 47976.329665724777 - OH 66606434.328231946 - HO2 304301032.00681430 - H2 3039405.9925602800 - CO 51967386.873602919 - H2O2 446385791.22285587 - HONO 281515740.38746786 - HNO3 2057701385.6665778 - HO2NO2 8135880.2924831994 + O 7412.2382749063327 + O3 1194363503689.1306 + NO 934983952.77471757 + NO2 2844142383.0029101 + NO3 770932.31069285655 + O1D 2.7419030502228457E-002 + N2O5 47975.940448811823 + OH 66606541.111708939 + HO2 304301359.06207067 + H2 3039421.7903136248 + CO 51968030.978537925 + H2O2 446383807.35440761 + HONO 281521216.51839793 + HNO3 2057691265.7951615 + HO2NO2 8135996.8801693162 SO2 0.0000000000000000 SO3 0.0000000000000000 HSO3 0.0000000000000000 - NA 5970301.5968593983 + NA 5970264.6874506325 SA 0.0000000000000000 - CH3OH 2941768112.8451562 - HCHO 171267078.10179707 - C2H5OH 1079129380.8365753 - C2H5O 0.29418863330860023 - CH3CHO 261757889.76575544 - HOCH2CH2O2 1065244.1942161403 - BUT2OL 585293689.10120261 - BUT2OLO2 10194506.578054052 - MEK 237113100.60036585 - CH3O2 12360146.604007693 - CH3CO3 5909771.5736429729 - HCOCH2O2 1088078.6083119719 - HYETHO2H 1681920.5653726631 - ETHOHNO3 39420.195531343830 - HOCH2CH2O 3.5586051708099593E-002 - ETHGLY 4480.7888451853378 - HOCH2CHO 1740596.6070283672 - BUT2OLOOH 16396267.404487729 - BUT2OLAO 2.7422300806993812E-003 - BUT2OLNO3 3727746.9098214349 - BUT2OLO 14601768.598165385 - BUT2OLOH 23616.788806669731 - MEKAO2 587449.20791552053 - MEKBO2 595908.20190151478 - MEKCO2 101898.88143173090 - C2H5O2 85712.042165434759 - CH3OOH 5517223.2332656179 - CH3NO3 39476.373002316410 - CH3O 8.7601016757638313 - CH3O2NO2 108200.58795917679 - CH3CO2H 1533463.2506651233 - CH3CO3H 3753078.8384067793 - PAN 61573996.896633878 - HCOCH2OOH 690904.59188650816 - HCOCH2O 9.1671678736965564E-003 - GLYOX 428805.58926420630 - HOCH2CO3 20671.134613568083 - BIACET 1917620.2325598770 - MEKAOOH 459092.54266640020 - MEKANO3 75445.265462478099 - MEKAO 2.5884992459971091E-002 - CO2C3CHO 414745.24050063186 - MEKAOH 1999.3318012152572 - MEKBOOH 676900.65891034354 - MEKBO 5.0089426155049757E-003 - MEKCOOH 132816.64483193340 - MEKCO 8.5881701635284811E-004 - EGLYOX 19531.318543952035 - MEKCOH 399.70811855928980 - C2H5OOH 62751.799721621981 - C2H5NO3 2947.2088099213461 - HCOCO 2.1785345255364223E-006 - HOCH2CO2H 4561.2664510691557 - HOCH2CO3H 10426.706022358567 - PHAN 172126.72198394811 - BIACETO2 1896.1218662681995 - HO1CO3C4O2 263200.73918662715 - CO2C3CO3 42617.712301145912 - CH3COCH2O2 65263.520078314126 - C2H5CO3 17508.639374664195 - HCOCO3 556.73550850604033 - BIACETOOH 1359.2924292706302 - BIACETO 1.6307153151453086E-005 - BIACETOH 4.0586636323463896 - CO23C3CHO 78.161854655244838 - HOCO3C4OOH 286190.30171471409 - HO1CO3C4O 2.2188185984141325E-003 - HO14CO2C4 864.86875981546029 - HO1CO3CHO 83292.779703248671 - CO2C3CO3H 24906.180544554943 - CO2C3PAN 290005.98307162046 - CH3COCH2O 5.7765335022770515E-004 - HYPERACET 32351.399731619527 - ACETOL 299.54221716432107 - MGLYOX 5566.0848907914888 - PERPROACID 10497.052020673125 - PROPACID 4589.0566245672426 - PPN 199480.45796325413 - HCOCO2H 70.322480689969126 - HCOCO3H 164.90265294256488 - HOC2H4CO3 53877.654346304633 - HOC2H4CO2H 10873.304413317739 - HOC2H4CO3H 24929.915857379383 - C3PAN1 459919.73777624301 + CH3OH 2941768284.5181780 + HCHO 171267740.92514509 + C2H5OH 1079129752.3487494 + C2H5O 0.29418869695169653 + CH3CHO 261756034.47946370 + HOCH2CH2O2 1065256.4725644619 + BUT2OL 585294845.59532380 + BUT2OLO2 10194757.836228305 + MEK 237112304.72916156 + CH3O2 12359874.724022660 + CH3CO3 5909827.3672067132 + HCOCH2O2 1088039.8243746706 + HYETHO2H 1681913.8928323055 + ETHOHNO3 39420.154719720143 + HOCH2CH2O 3.5586512142819722E-002 + ETHGLY 4480.8353411281387 + HOCH2CHO 1740595.3125494113 + BUT2OLOOH 16396182.682430845 + BUT2OLAO 2.7423004518446902E-003 + BUT2OLNO3 3727724.2550063226 + BUT2OLO 14601654.035085032 + BUT2OLOH 23617.063591966784 + MEKAO2 587436.62081483414 + MEKBO2 595895.61655175849 + MEKCO2 101896.73075542013 + C2H5O2 85710.040332241129 + CH3OOH 5517335.4767062757 + CH3NO3 39477.696034298693 + CH3O 8.7599338928705173 + CH3O2NO2 108195.17198409019 + CH3CO2H 1533488.1869781129 + CH3CO3H 3753143.6198512157 + PAN 61573245.996188611 + HCOCH2OOH 690905.33250452706 + HCOCH2O 9.1668636740360240E-003 + GLYOX 428819.94753806025 + HOCH2CO3 20671.393368786408 + BIACET 1917668.3228794155 + MEKAOOH 459088.55532564892 + MEKANO3 75446.292533182364 + MEKAO 2.5884494626407489E-002 + CO2C3CHO 414742.21004419983 + MEKAOH 1999.3282354332991 + MEKBOOH 676905.51469334192 + MEKBO 5.0088471414069672E-003 + MEKCOOH 132817.79695958577 + MEKCO 8.5880077423553219E-004 + EGLYOX 19531.572998048912 + MEKCOH 399.70595522475918 + C2H5OOH 62752.212833031073 + C2H5NO3 2947.2601600476764 + HCOCO 2.1785844000625249E-006 + HOCH2CO2H 4561.3331057263413 + HOCH2CO3H 10426.870905036190 + PHAN 172125.50703272535 + BIACETO2 1896.1292785693915 + HO1CO3C4O2 263191.00536581199 + CO2C3CO3 42618.149606346851 + CH3COCH2O2 65264.673021582195 + C2H5CO3 17508.311357882503 + HCOCO3 556.75654374547048 + BIACETOOH 1359.2243095074409 + BIACETO 1.6307227497320605E-005 + BIACETOH 4.0588870448825762 + CO23C3CHO 78.169611724511171 + HOCO3C4OOH 286193.92760948034 + HO1CO3C4O 2.2187433480263274E-003 + HO14CO2C4 864.86849097004585 + HO1CO3CHO 83296.921400691572 + CO2C3CO3H 24906.645869264317 + CO2C3PAN 290013.67178827425 + CH3COCH2O 5.7766386120078155E-004 + HYPERACET 32352.053469820712 + ACETOL 299.53448645715446 + MGLYOX 5565.8213637869358 + PERPROACID 10497.272968336934 + PROPACID 4589.1447473825447 + PPN 199480.84878931893 + HCOCO2H 70.321843373615081 + HCOCO3H 164.89978426264886 + HOC2H4CO3 53876.354428173145 + HOC2H4CO2H 10873.701800874511 + HOC2H4CO3H 24930.866154753265 + C3PAN1 459922.53504065250 diff --git a/travis/tests/short_ext1/output/instantaneousRates/43500.cmp b/travis/tests/short_ext1/output/instantaneousRates/43500.cmp index 829be4306..d1e1070a2 100644 --- a/travis/tests/short_ext1/output/instantaneousRates/43500.cmp +++ b/travis/tests/short_ext1/output/instantaneousRates/43500.cmp @@ -1,325 +1,325 @@ reactionNumber reactionRate -1 4.145981E+008 -2 1.191734E+008 -3 7.562135E+001 -4 2.171219E+001 -5 3.030885E+002 -6 6.083964E+001 -7 5.675195E+006 -8 1.631075E+007 -9 2.749776E+007 -10 1.735784E+005 -11 1.647455E-001 -12 3.046736E+004 -13 2.387631E+000 -14 4.374776E+003 -15 4.159108E+006 -16 5.832687E+006 -17 1.553239E-001 -18 8.372213E+001 -19 1.313945E+004 -20 6.644317E+005 -21 1.965063E+006 -22 2.988273E+005 -23 2.240075E+005 -24 8.164273E+005 -25 2.486994E+006 -26 1.193910E+003 -27 2.966790E+006 -28 7.802550E+005 -29 2.075936E+003 -30 9.852049E+002 -31 7.099879E+004 -32 8.084743E+003 +1 4.147062E+008 +2 1.192044E+008 +3 7.564407E+001 +4 2.178418E+001 +5 3.043052E+002 +6 6.108388E+001 +7 5.675658E+006 +8 1.631209E+007 +9 2.758283E+007 +10 1.742367E+005 +11 1.657533E-001 +12 3.062764E+004 +13 2.401864E+000 +14 4.400855E+003 +15 4.159448E+006 +16 5.828201E+006 +17 1.487302E-001 +18 8.006044E+001 +19 1.277639E+004 +20 6.630436E+005 +21 1.959294E+006 +22 2.975564E+005 +23 2.230548E+005 +24 8.182583E+005 +25 2.494308E+006 +26 1.195569E+003 +27 2.969515E+006 +28 7.815158E+005 +29 2.076953E+003 +30 9.852706E+002 +31 6.988801E+004 +32 7.924972E+003 33 0.000000E+000 34 0.000000E+000 35 0.000000E+000 -36 4.886163E+003 -37 3.107738E+001 +36 4.793479E+003 +37 3.121102E+001 38 0.000000E+000 -39 2.614506E+007 -40 4.812251E+008 -41 7.208069E+002 -42 3.043044E+007 -43 1.890539E+004 -44 1.304716E+005 -45 3.127692E+005 -46 3.811730E+002 -47 4.418759E+003 -48 7.810419E+005 -49 1.805382E+005 -50 1.286808E+004 -51 2.316254E+005 -52 1.286808E+004 -53 1.691911E+005 -54 2.994823E+005 -55 1.384479E+003 -56 2.274774E+003 -57 2.809492E-002 -58 3.124986E+004 -59 1.311360E+004 -60 3.930549E+002 -61 3.142222E-001 -62 1.126552E+005 -63 5.929223E+003 -64 2.747684E+003 -65 5.031231E+001 -66 1.001215E+004 -67 1.818775E+000 -68 5.293296E+000 -69 1.587989E+001 -70 5.293296E+000 -71 4.172906E+004 -72 1.232858E+005 -73 5.270822E+003 -74 2.323641E+001 -75 1.023775E+002 -76 3.412583E+001 -77 3.412583E+001 -78 3.166467E+003 -79 3.187163E+003 -80 5.449911E+002 -81 2.608366E+002 -82 3.681629E+003 -83 3.532505E+002 -84 2.868250E+001 -85 2.865382E+004 -86 6.547222E+004 -87 3.175272E+000 -88 1.327222E+001 -89 1.102255E+001 -90 1.102255E+001 -91 9.784790E+002 -92 2.674509E+003 -93 2.870205E+003 -94 4.492574E+004 -95 6.088640E+004 -96 6.420073E+000 -97 4.284554E+001 -98 9.997292E+001 -99 7.454977E+002 -100 3.709122E+003 -101 6.704182E-001 -102 2.237728E+000 -103 6.713183E+000 -104 2.237728E+000 -105 1.205572E+002 -106 4.647994E+002 -107 2.332685E+000 -108 6.794985E-001 -109 8.150596E+003 -110 1.884595E+003 -111 8.110218E-001 -112 1.246915E-003 -113 6.340470E+001 -114 2.536188E+002 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9.430834E-001 -168 4.017084E-001 -169 1.421858E-001 -170 4.742860E-005 -171 1.161066E+001 -172 6.183889E+000 -173 2.108144E+000 -174 5.762260E+000 -175 9.679302E+001 -176 1.311804E+002 -177 1.383904E-002 -178 4.645752E-001 -179 1.991037E-001 -180 1.576725E+001 -181 1.020457E+000 -182 1.790170E+002 -183 1.313050E+001 -184 2.540645E-001 -185 1.541287E-001 -186 5.095593E-001 -187 9.869879E-003 -188 2.220889E-002 -189 4.614013E+002 -190 1.350029E+003 -191 5.549128E-004 -192 2.521885E+002 -193 8.029314E-001 -194 9.953197E-002 -195 3.097690E-004 -196 8.045265E+001 -197 1.531755E+001 -198 1.798008E-001 -199 2.963822E-001 -200 1.885767E+003 -201 7.326721E+000 -202 2.746079E+000 -203 3.223409E-002 -204 5.313442E-002 -205 3.225606E+002 -206 6.779283E-002 -207 6.187267E-006 -208 5.466484E-001 -209 4.588911E-003 -210 5.604804E-005 -211 2.178515E-002 -212 1.125894E+000 -213 2.519552E+000 -214 2.531814E-004 -215 3.238704E-003 -216 1.714999E+000 -217 2.356640E+000 -218 6.335556E+000 -219 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b/travis/tests/short_ext1/output/instantaneousRates/44100.cmp index 6a000548b..a6173f476 100644 --- a/travis/tests/short_ext1/output/instantaneousRates/44100.cmp +++ b/travis/tests/short_ext1/output/instantaneousRates/44100.cmp @@ -1,325 +1,325 @@ reactionNumber reactionRate -1 4.055578E+008 -2 1.165748E+008 -3 7.365325E+001 -4 1.498444E+001 -5 2.111768E+002 -6 4.238999E+001 -7 5.614938E+006 -8 1.613757E+007 -9 1.931661E+007 -10 1.231031E+005 -11 8.200428E-002 -12 1.799827E+004 -13 1.423977E+000 -14 2.609105E+003 -15 4.114949E+006 -16 5.888009E+006 -17 1.588823E+000 -18 8.808031E+002 -19 5.403753E+004 -20 7.484407E+005 -21 2.253924E+006 -22 3.824637E+005 -23 2.867032E+005 -24 5.839918E+005 -25 1.795989E+006 -26 1.013524E+003 -27 2.368008E+006 -28 6.287424E+005 -29 1.698184E+003 -30 9.332457E+002 -31 1.114154E+005 -32 2.161714E+004 +1 4.057488E+008 +2 1.166297E+008 +3 7.369599E+001 +4 1.511659E+001 +5 2.129233E+002 +6 4.274058E+001 +7 5.616692E+006 +8 1.614261E+007 +9 1.947991E+007 +10 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2.564182E-002 -275 9.098276E-007 -276 8.612951E-002 -277 7.584398E+001 -278 4.576865E+002 -279 1.443401E+000 -280 8.743758E-001 -281 2.285870E+003 -282 1.041163E+000 -283 2.736547E-003 -284 8.405049E-004 -285 1.656029E+002 -286 1.098574E+001 -287 8.302107E+000 -288 1.352959E-001 -289 8.195883E-002 -290 1.329551E+001 -291 1.975123E+002 -292 6.365921E+002 -293 9.265021E+000 -294 2.171709E+001 -295 1.068128E-001 -296 1.763244E-001 -297 1.095247E-001 -298 1.021981E-003 -299 7.875246E-001 -300 3.615149E-005 -301 5.989824E+000 -302 3.497205E+000 -303 5.389786E-002 -304 4.177464E-001 -305 1.870537E+001 -306 1.761214E-014 -307 1.003804E-002 -308 7.270306E-002 -309 9.397205E-004 -310 3.087133E-003 -311 2.179631E-001 -312 3.620362E+001 -313 9.895657E+001 -314 1.061973E+002 -315 1.036627E+003 -316 1.418362E+003 -317 1.758965E-001 -318 5.828644E+000 -319 1.360017E+001 -320 1.144577E+001 -321 1.278320E-001 -322 3.246482E+001 -323 2.980957E+002 -324 1.526119E+002 +39 2.587554E+007 +40 4.786994E+008 +41 2.857993E+003 +42 2.181059E+007 +43 1.587914E+004 +44 1.095841E+005 +45 4.835396E+005 +46 9.882509E+002 +47 2.657043E+003 +48 6.334110E+005 +49 1.764009E+005 +50 1.143599E+004 +51 2.058478E+005 +52 1.143599E+004 +53 1.199509E+005 +54 2.123230E+005 +55 4.367495E+003 +56 7.182104E+003 +57 7.473792E-002 +58 1.002816E+005 +59 1.217453E+004 +60 8.558459E+002 +61 5.777498E-001 +62 2.498702E+005 +63 1.315106E+004 +64 3.831681E+003 +65 4.421689E+001 +66 8.799162E+003 +67 1.888694E+000 +68 1.247432E+001 +69 3.742297E+001 +70 1.247432E+001 +71 4.285224E+004 +72 7.978833E+004 +73 3.411180E+003 +74 1.776905E+001 +75 1.776674E+002 +76 5.922245E+001 +77 5.922245E+001 +78 8.285941E+003 +79 8.340098E+003 +80 1.426121E+003 +81 6.703443E+002 +82 1.842516E+004 +83 1.767884E+003 +84 9.046478E+001 +85 9.037431E+004 +86 2.083642E+005 +87 1.183347E+001 +88 1.122491E+002 +89 9.322268E+001 +90 9.322268E+001 +91 3.845594E+003 +92 1.051129E+004 +93 1.128041E+004 +94 1.112753E+005 +95 1.521694E+005 +96 1.878936E+001 +97 2.845678E+002 +98 6.639916E+002 +99 2.952332E+003 +100 9.257239E+003 +101 1.977083E+000 +102 1.497595E+001 +103 4.492785E+001 +104 1.497595E+001 +105 4.159942E+002 +106 1.603835E+003 +107 7.916278E+000 +108 2.287408E+000 +109 7.185519E+003 +110 1.661449E+003 +111 4.590011E+000 +112 3.946720E-003 +113 2.420922E+002 +114 9.683687E+002 +115 2.708666E+001 +116 3.203201E+004 +117 3.967283E+003 +118 7.549652E+001 +119 8.006436E+004 +120 4.568426E+002 +121 6.057962E+003 +122 4.265800E+001 +123 2.845129E+001 +124 2.597018E+003 +125 1.663934E+002 +126 4.875832E+003 +127 1.076876E+000 +128 8.157088E+000 +129 2.447126E+001 +130 8.157088E+000 +131 2.635769E+003 +132 5.117461E+003 +133 1.092944E+000 +134 3.642673E+000 +135 3.642673E+000 +136 1.092802E+001 +137 4.507663E+002 +138 8.751826E+002 +139 1.869141E-001 +140 1.415832E+000 +141 4.247495E+000 +142 1.415832E+000 +143 2.143582E+002 +144 6.705830E+000 +145 7.383864E+002 +146 1.576246E-001 +147 5.343419E-001 +148 1.781140E-001 +149 1.781140E-001 +150 2.726672E+001 +151 2.398129E+003 +152 1.598753E+003 +153 3.401164E-002 +154 6.785709E-002 +155 9.052906E+004 +156 2.083097E+005 +157 8.905092E+001 +158 1.004803E+003 +159 1.849779E+001 +160 1.309049E+002 +161 3.843327E+004 +162 1.428787E+003 +163 1.757443E+002 +164 3.344374E+000 +165 1.098700E+001 +166 9.308013E+003 +167 2.435136E+001 +168 1.035472E+001 +169 3.671381E+000 +170 1.030485E-003 +171 3.043114E+002 +172 4.041831E+001 +173 1.377897E+001 +174 3.766251E+001 +175 3.987052E+002 +176 5.452310E+002 +177 6.735695E-002 +178 5.131458E+000 +179 2.199196E+000 +180 5.207218E+002 +181 3.421160E+001 +182 1.591586E+003 +183 1.167393E+002 +184 2.221524E+000 +185 1.345805E+000 +186 5.200089E+000 +187 9.891066E-002 +188 2.225899E-001 +189 1.249530E+003 +190 3.656042E+003 +191 3.828773E-003 +192 2.099037E+003 +193 6.569294E+000 +194 1.985631E+000 +195 6.069269E-003 +196 9.139576E+002 +197 1.740103E+002 +198 2.006041E+000 +199 3.311378E+000 +200 5.133126E+003 +201 9.153727E+001 +202 3.430847E+001 +203 3.955180E-001 +204 6.528826E-001 +205 8.803253E+002 +206 2.477035E+000 +207 1.902528E-004 +208 2.027684E+001 +209 1.017371E-001 +210 1.220373E-003 +211 3.097191E-001 +212 1.627550E+001 +213 3.642168E+001 +214 2.916162E-003 +215 3.799275E-002 +216 4.495808E+001 +217 6.177848E+001 +218 1.660843E+002 +219 3.160681E+001 +220 9.216459E-001 +221 4.756437E+000 +222 5.233975E-002 +223 1.391785E+001 +224 1.094528E+002 +225 9.122017E+000 +226 1.771080E+001 +227 3.782522E-003 +228 8.595523E-002 +229 2.865174E-002 +230 2.865174E-002 +231 1.160087E+003 +232 2.252360E+003 +233 4.810400E-001 +234 3.643768E+000 +235 1.093130E+001 +236 3.643768E+000 +237 8.485701E+001 +238 1.079998E+002 +239 8.370695E+002 +240 1.144696E+003 +241 1.414139E-001 +242 1.539049E+001 +243 2.860351E+001 +244 1.620866E+002 +245 5.849138E+002 +246 1.249209E-001 +247 1.583375E+000 +248 4.750125E+000 +249 1.583375E+000 +250 3.355741E+001 +251 3.126940E+001 +252 1.144003E+001 +253 3.493479E+002 +254 4.526794E+002 +255 5.592328E-002 +256 4.260406E+000 +257 1.825888E+000 +258 3.923730E-001 +259 1.072486E+000 +260 1.150961E+000 +261 1.135362E+001 +262 1.552612E+001 +263 1.918072E-003 +264 1.461245E-001 +265 6.262480E-002 +266 7.310796E-003 +267 3.929803E-001 +268 3.841766E-001 +269 6.429112E-001 +270 1.820375E+001 +271 1.200028E-003 +272 8.816517E-004 +273 1.088149E-002 +274 2.346327E-002 +275 8.357713E-007 +276 7.882192E-002 +277 7.350095E+001 +278 4.435473E+002 +279 1.398707E+000 +280 8.473402E-001 +281 2.266116E+003 +282 9.983585E-001 +283 2.623968E-003 +284 8.060823E-004 +285 1.582245E+002 +286 1.049495E+001 +287 7.865591E+000 +288 1.281727E-001 +289 7.764736E-002 +290 1.271967E+001 +291 1.889270E+002 +292 6.185892E+002 +293 8.771473E+000 +294 2.056022E+001 +295 1.011201E-001 +296 1.669192E-001 +297 1.026464E-001 +298 9.577730E-004 +299 7.363436E-001 +300 3.393366E-005 +301 5.601254E+000 +302 3.369998E+000 +303 5.193354E-002 +304 4.017633E-001 +305 1.813938E+001 +306 1.707642E-014 +307 9.357625E-003 +308 6.778353E-002 +309 8.773395E-004 +310 2.882251E-003 +311 2.035093E-001 +312 3.537809E+001 +313 9.670012E+001 +314 1.037757E+002 +315 1.023693E+003 +316 1.399904E+003 +317 1.729419E-001 +318 5.646531E+000 +319 1.317524E+001 +320 1.101494E+001 +321 1.232384E-001 +322 3.130052E+001 +323 2.893535E+002 +324 1.481606E+002 diff --git a/travis/tests/short_ext1/output/lossRates.output.cmp b/travis/tests/short_ext1/output/lossRates.output.cmp index 77044a3eb..fb70875f7 100644 --- a/travis/tests/short_ext1/output/lossRates.output.cmp +++ b/travis/tests/short_ext1/output/lossRates.output.cmp @@ -1,124 +1,124 @@ time speciesNumber speciesName reactionNumber rate - 4.380000E+004 8 OH 16 2.896820E+007 OH+O3=HO2 - 4.380000E+004 8 OH 17 6.862135E-001 OH+H2=HO2 - 4.380000E+004 8 OH 18 3.806139E+002 OH+CO=HO2 - 4.380000E+004 8 OH 19 3.279763E+004 OH+H2O2=HO2 - 4.380000E+004 8 OH 21 2.851252E+006 OH+HO2= - 4.380000E+004 8 OH 24 2.363971E+007 OH+NO=HONO - 4.380000E+004 8 OH 25 2.264324E+006 OH+NO2=HNO3 - 4.380000E+004 8 OH 26 2.761522E+004 OH+NO3=HO2+NO2 - 4.380000E+004 8 OH 29 1.897840E+003 OH+HO2NO2=NO2 - 4.380000E+004 8 OH 31 1.050398E+005 OH+HONO=NO2 - 4.380000E+004 8 OH 32 1.548604E+004 OH+HNO3=NO3 + 4.380000E+004 8 OH 16 2.899550E+007 OH+O3=HO2 + 4.380000E+004 8 OH 17 6.814746E-001 OH+H2=HO2 + 4.380000E+004 8 OH 18 3.779804E+002 OH+CO=HO2 + 4.380000E+004 8 OH 19 3.266097E+004 OH+H2O2=HO2 + 4.380000E+004 8 OH 21 2.850067E+006 OH+HO2= + 4.380000E+004 8 OH 24 2.366790E+007 OH+NO=HONO + 4.380000E+004 8 OH 25 2.266718E+006 OH+NO2=HNO3 + 4.380000E+004 8 OH 26 2.766263E+004 OH+NO3=HO2+NO2 + 4.380000E+004 8 OH 29 1.899381E+003 OH+HO2NO2=NO2 + 4.380000E+004 8 OH 31 1.049262E+005 OH+HONO=NO2 + 4.380000E+004 8 OH 32 1.544116E+004 OH+HNO3=NO3 4.380000E+004 8 OH 34 0.000000E+000 OH+SO2=HSO3 - 4.380000E+004 8 OH 49 1.117892E+007 CH3OH+OH=HO2+HCHO - 4.380000E+004 8 OH 50 1.119110E+007 C2H5OH+OH=C2H5O - 4.380000E+004 8 OH 51 1.141046E+007 C2H5OH+OH=CH3CHO+HO2 - 4.380000E+004 8 OH 52 1.142264E+007 C2H5OH+OH=HOCH2CH2O2 - 4.380000E+004 8 OH 53 1.156535E+007 BUT2OL+OH=BUT2OLO2 - 4.380000E+004 8 OH 54 1.181797E+007 BUT2OL+OH=MEK+HO2 - 4.380000E+004 8 OH 58 7.512266E+004 OH+HCHO=HO2+CO - 4.380000E+004 8 OH 62 2.029363E+005 OH+CH3CHO=CH3CO3 - 4.380000E+004 8 OH 63 2.135806E+005 OH+CH3CHO=HCOCH2O2 - 4.380000E+004 8 OH 78 1.210427E+007 MEK+OH=MEKAO2 - 4.380000E+004 8 OH 79 1.211039E+007 MEK+OH=MEKBO2 - 4.380000E+004 8 OH 80 1.211143E+007 MEK+OH=MEKCO2 - 4.380000E+004 8 OH 105 1.211171E+007 HYETHO2H+OH=HOCH2CH2O2 - 4.380000E+004 8 OH 106 1.211279E+007 HYETHO2H+OH=HOCH2CHO+OH - 4.380000E+004 8 OH 108 1.211279E+007 ETHOHNO3+OH=HOCH2CHO+NO2 - 4.380000E+004 8 OH 111 1.211280E+007 ETHGLY+OH=HOCH2CHO+HO2 - 4.380000E+004 8 OH 113 1.211295E+007 HOCH2CHO+OH=GLYOX+HO2 - 4.380000E+004 8 OH 114 1.211357E+007 HOCH2CHO+OH=HOCH2CO3 - 4.380000E+004 8 OH 116 1.213973E+007 BUT2OLOOH+OH=BUT2OLO+OH - 4.380000E+004 8 OH 117 1.214297E+007 BUT2OLOOH+OH=BUT2OLO2 - 4.380000E+004 8 OH 120 1.214330E+007 BUT2OLNO3+OH=BUT2OLO+NO2 - 4.380000E+004 8 OH 121 1.214637E+007 BUT2OLO+OH=BIACET+HO2 - 4.380000E+004 8 OH 123 1.214639E+007 BUT2OLOH+OH=BUT2OLO+HO2 - 4.380000E+004 8 OH 151 9.710506E+002 OH+CH3OOH=CH3O2 - 4.380000E+004 8 OH 152 1.611123E+003 OH+CH3OOH=HCHO+OH - 4.380000E+004 8 OH 154 4.470574E-002 OH+CH3NO3=HCHO+NO2 - 4.380000E+004 8 OH 157 1.214803E+007 CH3CO2H+OH=CH3O2 - 4.380000E+004 8 OH 158 1.214845E+007 CH3CO3H+OH=CH3CO3 - 4.380000E+004 8 OH 160 1.214852E+007 PAN+OH=HCHO+CO+NO2 - 4.380000E+004 8 OH 162 1.214921E+007 HCOCH2OOH+OH=GLYOX+OH - 4.380000E+004 8 OH 163 1.214930E+007 HCOCH2OOH+OH=HCOCH2O2 - 4.380000E+004 8 OH 171 1.156601E+002 OH+GLYOX=HCOCO - 4.380000E+004 8 OH 181 1.757726E+002 OH+BIACET=BIACETO2 - 4.380000E+004 8 OH 182 1.215020E+007 MEKAOOH+OH=CO2C3CHO+OH - 4.380000E+004 8 OH 183 1.215026E+007 MEKAOOH+OH=MEKAO2 - 4.380000E+004 8 OH 186 1.215026E+007 MEKANO3+OH=CO2C3CHO+NO2 - 4.380000E+004 8 OH 192 1.215134E+007 CO2C3CHO+OH=CO2C3CO3 - 4.380000E+004 8 OH 194 1.215134E+007 MEKAOH+OH=CO2C3CHO+HO2 - 4.380000E+004 8 OH 196 1.215175E+007 MEKBOOH+OH=BIACET+OH - 4.380000E+004 8 OH 197 1.215182E+007 MEKBOOH+OH=MEKBO2 - 4.380000E+004 8 OH 201 1.215186E+007 MEKCOOH+OH=EGLYOX+OH - 4.380000E+004 8 OH 202 1.215188E+007 MEKCOOH+OH=MEKCO2 - 4.380000E+004 8 OH 208 6.777911E+000 OH+EGLYOX=C2H5CO3+CO - 4.380000E+004 8 OH 209 1.215188E+007 MEKCOH+OH=EGLYOX+HO2 - 4.380000E+004 8 OH 212 6.808543E+000 OH+C2H5OOH=C2H5O2 - 4.380000E+004 8 OH 213 2.175968E+001 OH+C2H5OOH=CH3CHO+OH - 4.380000E+004 8 OH 215 1.832400E-002 OH+C2H5NO3=CH3CHO+NO2 - 4.380000E+004 8 OH 220 1.215191E+007 HOCH2CO2H+OH=HCHO+HO2 - 4.380000E+004 8 OH 221 1.215191E+007 HOCH2CO3H+OH=HOCH2CO3 - 4.380000E+004 8 OH 223 1.215191E+007 PHAN+OH=HCHO+CO+NO2 - 4.380000E+004 8 OH 268 1.289965E-001 OH+BIACETOOH=BIACETO2 - 4.380000E+004 8 OH 269 2.346388E-001 OH+BIACETOOH=CO23C3CHO+OH - 4.380000E+004 8 OH 272 2.754925E-004 OH+BIACETOH=CO23C3CHO+HO2 - 4.380000E+004 8 OH 276 1.258579E-002 OH+CO23C3CHO=CH3CO3+CO+CO - 4.380000E+004 8 OH 277 1.215195E+007 HOCO3C4OOH+OH=HO1CO3C4O2 - 4.380000E+004 8 OH 278 1.215214E+007 HOCO3C4OOH+OH=HO1CO3CHO+OH - 4.380000E+004 8 OH 282 1.215214E+007 HO14CO2C4+OH=HO1CO3CHO+HO2 - 4.380000E+004 8 OH 285 1.215219E+007 HO1CO3CHO+OH=HOC2H4CO3+CO - 4.380000E+004 8 OH 287 1.215219E+007 CO2C3CO3H+OH=CO2C3CO3 - 4.380000E+004 8 OH 290 1.215220E+007 CO2C3PAN+OH=MGLYOX+CO+NO2 - 4.380000E+004 8 OH 293 1.215220E+007 HYPERACET+OH=CH3COCH2O2 - 4.380000E+004 8 OH 294 1.215221E+007 HYPERACET+OH=MGLYOX+OH - 4.380000E+004 8 OH 297 1.215221E+007 ACETOL+OH=MGLYOX+HO2 - 4.380000E+004 8 OH 301 1.198879E+000 OH+MGLYOX=CH3CO3+CO - 4.380000E+004 8 OH 302 1.215221E+007 PERPROACID+OH=C2H5CO3 - 4.380000E+004 8 OH 304 1.215221E+007 PROPACID+OH=C2H5O2 - 4.380000E+004 8 OH 305 1.215222E+007 PPN+OH=CH3CHO+CO+NO2 - 4.380000E+004 8 OH 308 1.409549E-002 OH+HCOCO2H=CO+HO2 - 4.380000E+004 8 OH 311 3.901132E-002 OH+HCOCO3H=HCOCO3 - 4.380000E+004 8 OH 320 4.229872E+000 OH+HOC2H4CO2H=HOCH2CH2O2 - 4.380000E+004 8 OH 322 1.253372E+001 OH+HOC2H4CO3H=HOC2H4CO3 - 4.380000E+004 8 OH 324 2.010395E+002 OH+C3PAN1=HOCH2CHO+CO+NO2 - 4.380000E+004 9 HO2 20 2.968047E+007 HO2+O3=OH - 4.380000E+004 9 HO2 21 2.851252E+006 OH+HO2= - 4.380000E+004 9 HO2 22 3.541002E+006 HO2+HO2=H2O2 - 4.380000E+004 9 HO2 22 3.541002E+006 HO2+HO2=H2O2 - 4.380000E+004 9 HO2 23 4.058053E+006 HO2+HO2=H2O2 - 4.380000E+004 9 HO2 23 4.058053E+006 HO2+HO2=H2O2 - 4.380000E+004 9 HO2 27 2.630257E+007 HO2+NO=OH+NO2 - 4.380000E+004 9 HO2 28 2.967949E+006 HO2+NO2=HO2NO2 - 4.380000E+004 9 HO2 30 2.857859E+004 HO2+NO3=OH+NO2 - 4.380000E+004 9 HO2 64 7.428846E+006 HOCH2CH2O2+HO2=HYETHO2H - 4.380000E+004 9 HO2 71 7.472283E+006 BUT2OLO2+HO2=BUT2OLOOH - 4.380000E+004 9 HO2 82 7.483273E+006 CH3O2+HO2=CH3OOH - 4.380000E+004 9 HO2 83 7.484327E+006 CH3O2+HO2=HCHO - 4.380000E+004 9 HO2 91 7.486739E+006 CH3CO3+HO2=CH3CO2H+O3 - 4.380000E+004 9 HO2 92 7.493331E+006 CH3CO3+HO2=CH3CO3H - 4.380000E+004 9 HO2 93 7.500406E+006 CH3CO3+HO2=CH3O2+OH - 4.380000E+004 9 HO2 99 7.502332E+006 HCOCH2O2+HO2=HCOCH2OOH - 4.380000E+004 9 HO2 124 7.503915E+006 MEKAO2+HO2=MEKAOOH - 4.380000E+004 9 HO2 131 7.505514E+006 MEKBO2+HO2=MEKBOOH - 4.380000E+004 9 HO2 137 7.505788E+006 MEKCO2+HO2=MEKCOOH - 4.380000E+004 9 HO2 143 7.505914E+006 C2H5O2+HO2=C2H5OOH - 4.380000E+004 9 HO2 172 7.505935E+006 HOCH2CO3+HO2=HO2+HCHO+OH - 4.380000E+004 9 HO2 173 7.505942E+006 HOCH2CO3+HO2=HOCH2CO2H+O3 - 4.380000E+004 9 HO2 174 7.505961E+006 HOCH2CO3+HO2=HOCH2CO3H - 4.380000E+004 9 HO2 225 7.505963E+006 BIACETO2+HO2=BIACETOOH - 4.380000E+004 9 HO2 231 7.506677E+006 HO1CO3C4O2+HO2=HOCO3C4OOH - 4.380000E+004 9 HO2 237 7.506712E+006 CO2C3CO3+HO2=CH3COCH2O2+OH - 4.380000E+004 9 HO2 238 7.506755E+006 CO2C3CO3+HO2=CO2C3CO3H - 4.380000E+004 9 HO2 243 7.506766E+006 CH3COCH2O2+HO2=CH3COCH2O+OH - 4.380000E+004 9 HO2 244 7.506828E+006 CH3COCH2O2+HO2=HYPERACET - 4.380000E+004 9 HO2 250 7.506848E+006 C2H5CO3+HO2=C2H5O2+OH - 4.380000E+004 9 HO2 251 7.506867E+006 C2H5CO3+HO2=PERPROACID - 4.380000E+004 9 HO2 252 7.506874E+006 C2H5CO3+HO2=PROPACID+O3 - 4.380000E+004 9 HO2 258 7.506874E+006 HCOCO3+HO2=HCOCO2H+O3 - 4.380000E+004 9 HO2 259 7.506874E+006 HCOCO3+HO2=HCOCO3H - 4.380000E+004 9 HO2 260 7.506875E+006 HCOCO3+HO2=HO2+CO+OH - 4.380000E+004 9 HO2 312 7.506895E+006 HOC2H4CO3+HO2=HOC2H4CO2H+O3 - 4.380000E+004 9 HO2 313 7.506950E+006 HOC2H4CO3+HO2=HOC2H4CO3H - 4.380000E+004 9 HO2 314 7.507009E+006 HOC2H4CO3+HO2=HOCH2CH2O2+OH + 4.380000E+004 8 OH 49 1.118049E+007 CH3OH+OH=HO2+HCHO + 4.380000E+004 8 OH 50 1.119268E+007 C2H5OH+OH=C2H5O + 4.380000E+004 8 OH 51 1.141212E+007 C2H5OH+OH=CH3CHO+HO2 + 4.380000E+004 8 OH 52 1.142431E+007 C2H5OH+OH=HOCH2CH2O2 + 4.380000E+004 8 OH 53 1.156719E+007 BUT2OL+OH=BUT2OLO2 + 4.380000E+004 8 OH 54 1.182009E+007 BUT2OL+OH=MEK+HO2 + 4.380000E+004 8 OH 58 7.485815E+004 OH+HCHO=HO2+CO + 4.380000E+004 8 OH 62 2.024839E+005 OH+CH3CHO=CH3CO3 + 4.380000E+004 8 OH 63 2.131044E+005 OH+CH3CHO=HCOCH2O2 + 4.380000E+004 8 OH 78 1.210567E+007 MEK+OH=MEKAO2 + 4.380000E+004 8 OH 79 1.211177E+007 MEK+OH=MEKBO2 + 4.380000E+004 8 OH 80 1.211281E+007 MEK+OH=MEKCO2 + 4.380000E+004 8 OH 105 1.211309E+007 HYETHO2H+OH=HOCH2CH2O2 + 4.380000E+004 8 OH 106 1.211416E+007 HYETHO2H+OH=HOCH2CHO+OH + 4.380000E+004 8 OH 108 1.211416E+007 ETHOHNO3+OH=HOCH2CHO+NO2 + 4.380000E+004 8 OH 111 1.211417E+007 ETHGLY+OH=HOCH2CHO+HO2 + 4.380000E+004 8 OH 113 1.211432E+007 HOCH2CHO+OH=GLYOX+HO2 + 4.380000E+004 8 OH 114 1.211493E+007 HOCH2CHO+OH=HOCH2CO3 + 4.380000E+004 8 OH 116 1.214103E+007 BUT2OLOOH+OH=BUT2OLO+OH + 4.380000E+004 8 OH 117 1.214427E+007 BUT2OLOOH+OH=BUT2OLO2 + 4.380000E+004 8 OH 120 1.214460E+007 BUT2OLNO3+OH=BUT2OLO+NO2 + 4.380000E+004 8 OH 121 1.214765E+007 BUT2OLO+OH=BIACET+HO2 + 4.380000E+004 8 OH 123 1.214767E+007 BUT2OLOH+OH=BUT2OLO+HO2 + 4.380000E+004 8 OH 151 9.631702E+002 OH+CH3OOH=CH3O2 + 4.380000E+004 8 OH 152 1.598048E+003 OH+CH3OOH=HCHO+OH + 4.380000E+004 8 OH 154 4.437340E-002 OH+CH3NO3=HCHO+NO2 + 4.380000E+004 8 OH 157 1.214929E+007 CH3CO2H+OH=CH3O2 + 4.380000E+004 8 OH 158 1.214971E+007 CH3CO3H+OH=CH3CO3 + 4.380000E+004 8 OH 160 1.214978E+007 PAN+OH=HCHO+CO+NO2 + 4.380000E+004 8 OH 162 1.215047E+007 HCOCH2OOH+OH=GLYOX+OH + 4.380000E+004 8 OH 163 1.215055E+007 HCOCH2OOH+OH=HCOCH2O2 + 4.380000E+004 8 OH 171 1.145502E+002 OH+GLYOX=HCOCO + 4.380000E+004 8 OH 181 1.739958E+002 OH+BIACET=BIACETO2 + 4.380000E+004 8 OH 182 1.215145E+007 MEKAOOH+OH=CO2C3CHO+OH + 4.380000E+004 8 OH 183 1.215151E+007 MEKAOOH+OH=MEKAO2 + 4.380000E+004 8 OH 186 1.215151E+007 MEKANO3+OH=CO2C3CHO+NO2 + 4.380000E+004 8 OH 192 1.215258E+007 CO2C3CHO+OH=CO2C3CO3 + 4.380000E+004 8 OH 194 1.215258E+007 MEKAOH+OH=CO2C3CHO+HO2 + 4.380000E+004 8 OH 196 1.215299E+007 MEKBOOH+OH=BIACET+OH + 4.380000E+004 8 OH 197 1.215307E+007 MEKBOOH+OH=MEKBO2 + 4.380000E+004 8 OH 201 1.215310E+007 MEKCOOH+OH=EGLYOX+OH + 4.380000E+004 8 OH 202 1.215312E+007 MEKCOOH+OH=MEKCO2 + 4.380000E+004 8 OH 208 6.706385E+000 OH+EGLYOX=C2H5CO3+CO + 4.380000E+004 8 OH 209 1.215313E+007 MEKCOH+OH=EGLYOX+HO2 + 4.380000E+004 8 OH 212 6.755503E+000 OH+C2H5OOH=C2H5O2 + 4.380000E+004 8 OH 213 2.159015E+001 OH+C2H5OOH=CH3CHO+OH + 4.380000E+004 8 OH 215 1.819254E-002 OH+C2H5NO3=CH3CHO+NO2 + 4.380000E+004 8 OH 220 1.215315E+007 HOCH2CO2H+OH=HCHO+HO2 + 4.380000E+004 8 OH 221 1.215315E+007 HOCH2CO3H+OH=HOCH2CO3 + 4.380000E+004 8 OH 223 1.215315E+007 PHAN+OH=HCHO+CO+NO2 + 4.380000E+004 8 OH 268 1.269882E-001 OH+BIACETOOH=BIACETO2 + 4.380000E+004 8 OH 269 2.309828E-001 OH+BIACETOOH=CO23C3CHO+OH + 4.380000E+004 8 OH 272 2.707557E-004 OH+BIACETOH=CO23C3CHO+HO2 + 4.380000E+004 8 OH 276 1.234508E-002 OH+CO23C3CHO=CH3CO3+CO+CO + 4.380000E+004 8 OH 277 1.215319E+007 HOCO3C4OOH+OH=HO1CO3C4O2 + 4.380000E+004 8 OH 278 1.215338E+007 HOCO3C4OOH+OH=HO1CO3CHO+OH + 4.380000E+004 8 OH 282 1.215338E+007 HO14CO2C4+OH=HO1CO3CHO+HO2 + 4.380000E+004 8 OH 285 1.215343E+007 HO1CO3CHO+OH=HOC2H4CO3+CO + 4.380000E+004 8 OH 287 1.215343E+007 CO2C3CO3H+OH=CO2C3CO3 + 4.380000E+004 8 OH 290 1.215344E+007 CO2C3PAN+OH=MGLYOX+CO+NO2 + 4.380000E+004 8 OH 293 1.215344E+007 HYPERACET+OH=CH3COCH2O2 + 4.380000E+004 8 OH 294 1.215344E+007 HYPERACET+OH=MGLYOX+OH + 4.380000E+004 8 OH 297 1.215344E+007 ACETOL+OH=MGLYOX+HO2 + 4.380000E+004 8 OH 301 1.181553E+000 OH+MGLYOX=CH3CO3+CO + 4.380000E+004 8 OH 302 1.215345E+007 PERPROACID+OH=C2H5CO3 + 4.380000E+004 8 OH 304 1.215345E+007 PROPACID+OH=C2H5O2 + 4.380000E+004 8 OH 305 1.215345E+007 PPN+OH=CH3CHO+CO+NO2 + 4.380000E+004 8 OH 308 1.389265E-002 OH+HCOCO2H=CO+HO2 + 4.380000E+004 8 OH 311 3.845768E-002 OH+HCOCO3H=HCOCO3 + 4.380000E+004 8 OH 320 4.194741E+000 OH+HOC2H4CO2H=HOCH2CH2O2 + 4.380000E+004 8 OH 322 1.243290E+001 OH+HOC2H4CO3H=HOC2H4CO3 + 4.380000E+004 8 OH 324 1.995798E+002 OH+C3PAN1=HOCH2CHO+CO+NO2 + 4.380000E+004 9 HO2 20 2.970752E+007 HO2+O3=OH + 4.380000E+004 9 HO2 21 2.850067E+006 OH+HO2= + 4.380000E+004 9 HO2 22 3.539293E+006 HO2+HO2=H2O2 + 4.380000E+004 9 HO2 22 3.539293E+006 HO2+HO2=H2O2 + 4.380000E+004 9 HO2 23 4.055952E+006 HO2+HO2=H2O2 + 4.380000E+004 9 HO2 23 4.055952E+006 HO2+HO2=H2O2 + 4.380000E+004 9 HO2 27 2.633289E+007 HO2+NO=OH+NO2 + 4.380000E+004 9 HO2 28 2.970853E+006 HO2+NO2=HO2NO2 + 4.380000E+004 9 HO2 30 2.862621E+004 HO2+NO3=OH+NO2 + 4.380000E+004 9 HO2 64 7.429381E+006 HOCH2CH2O2+HO2=HYETHO2H + 4.380000E+004 9 HO2 71 7.472819E+006 BUT2OLO2+HO2=BUT2OLOOH + 4.380000E+004 9 HO2 82 7.483759E+006 CH3O2+HO2=CH3OOH + 4.380000E+004 9 HO2 83 7.484809E+006 CH3O2+HO2=HCHO + 4.380000E+004 9 HO2 91 7.487212E+006 CH3CO3+HO2=CH3CO2H+O3 + 4.380000E+004 9 HO2 92 7.493780E+006 CH3CO3+HO2=CH3CO3H + 4.380000E+004 9 HO2 93 7.500829E+006 CH3CO3+HO2=CH3O2+OH + 4.380000E+004 9 HO2 99 7.502748E+006 HCOCH2O2+HO2=HCOCH2OOH + 4.380000E+004 9 HO2 124 7.504324E+006 MEKAO2+HO2=MEKAOOH + 4.380000E+004 9 HO2 131 7.505917E+006 MEKBO2+HO2=MEKBOOH + 4.380000E+004 9 HO2 137 7.506190E+006 MEKCO2+HO2=MEKCOOH + 4.380000E+004 9 HO2 143 7.506316E+006 C2H5O2+HO2=C2H5OOH + 4.380000E+004 9 HO2 172 7.506336E+006 HOCH2CO3+HO2=HO2+HCHO+OH + 4.380000E+004 9 HO2 173 7.506343E+006 HOCH2CO3+HO2=HOCH2CO2H+O3 + 4.380000E+004 9 HO2 174 7.506362E+006 HOCH2CO3+HO2=HOCH2CO3H + 4.380000E+004 9 HO2 225 7.506364E+006 BIACETO2+HO2=BIACETOOH + 4.380000E+004 9 HO2 231 7.507075E+006 HO1CO3C4O2+HO2=HOCO3C4OOH + 4.380000E+004 9 HO2 237 7.507109E+006 CO2C3CO3+HO2=CH3COCH2O2+OH + 4.380000E+004 9 HO2 238 7.507152E+006 CO2C3CO3+HO2=CO2C3CO3H + 4.380000E+004 9 HO2 243 7.507163E+006 CH3COCH2O2+HO2=CH3COCH2O+OH + 4.380000E+004 9 HO2 244 7.507225E+006 CH3COCH2O2+HO2=HYPERACET + 4.380000E+004 9 HO2 250 7.507245E+006 C2H5CO3+HO2=C2H5O2+OH + 4.380000E+004 9 HO2 251 7.507264E+006 C2H5CO3+HO2=PERPROACID + 4.380000E+004 9 HO2 252 7.507270E+006 C2H5CO3+HO2=PROPACID+O3 + 4.380000E+004 9 HO2 258 7.507271E+006 HCOCO3+HO2=HCOCO2H+O3 + 4.380000E+004 9 HO2 259 7.507271E+006 HCOCO3+HO2=HCOCO3H + 4.380000E+004 9 HO2 260 7.507271E+006 HCOCO3+HO2=HO2+CO+OH + 4.380000E+004 9 HO2 312 7.507291E+006 HOC2H4CO3+HO2=HOC2H4CO2H+O3 + 4.380000E+004 9 HO2 313 7.507346E+006 HOC2H4CO3+HO2=HOC2H4CO3H + 4.380000E+004 9 HO2 314 7.507405E+006 HOC2H4CO3+HO2=HOCH2CH2O2+OH diff --git a/travis/tests/short_ext1/output/mainSolverParameters.output.cmp b/travis/tests/short_ext1/output/mainSolverParameters.output.cmp index 2775ea681..110cafa12 100644 --- a/travis/tests/short_ext1/output/mainSolverParameters.output.cmp +++ b/travis/tests/short_ext1/output/mainSolverParameters.output.cmp @@ -1,4 +1,4 @@ t currentStepSize previousStepSize LENRW LENIW NST NFE NETF NCFN NNI NSETUPS QU QCUR NOR LENRWLS LENIWLS LS_FLAG NFELS NJTV NPE NPS NLI NCFL - 4.35E+04 2.43019007E+001 2.43019007E+001 1129 50 132 156 1 0 155 41 5 5 0 21321 105 0 257 257 3 394 257 0 - 4.38E+04 6.33267097E+001 4.09136057E+001 1129 50 141 166 1 0 165 42 5 5 0 21321 105 0 297 297 3 444 297 0 - 4.41E+04 6.33267097E+001 6.33267097E+001 1129 50 146 172 1 0 171 43 5 5 0 21321 105 0 325 325 3 478 325 0 + 4.35E+04 1.73690212E+001 1.73690212E+001 1129 50 135 159 2 0 158 41 5 5 0 21533 117 0 145 145 3 280 145 0 + 4.38E+04 4.25420008E+001 4.25420008E+001 1129 50 147 171 2 0 170 43 4 4 0 21533 117 0 163 163 3 310 163 0 + 4.41E+04 6.51849690E+001 6.51849690E+001 1129 50 152 176 2 0 175 44 4 4 0 21533 117 0 169 169 3 321 169 0 diff --git a/travis/tests/short_ext1/output/photolysisRates.output.cmp b/travis/tests/short_ext1/output/photolysisRates.output.cmp index c072dd9c3..d5401ae50 100644 --- a/travis/tests/short_ext1/output/photolysisRates.output.cmp +++ b/travis/tests/short_ext1/output/photolysisRates.output.cmp @@ -1,4 +1,4 @@ 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 - 4.350000E+004 2.180367E-005 4.013177E-004 6.128654E-006 7.818244E-003 2.079664E-002 1.435237E-001 1.720484E-003 4.680642E-007 2.463848E-005 4.048234E-005 3.230808E-006 1.410587E-005 1.494887E-005 8.968252E-006 4.140121E-005 9.216172E-007 9.216172E-007 4.726242E-004 3.866581E-007 2.759042E-006 1.512005E-006 1.511631E-006 5.135757E-005 7.743026E-006 2.187587E-005 1.131982E-004 2.440758E-004 4.547983E-006 8.016803E-007 9.218566E-007 1.226149E-006 2.094209E-006 6.053407E-006 2.224268E-005 4.762031E-004 - 4.380000E+004 2.174551E-005 4.011351E-004 6.121137E-006 7.813048E-003 2.078941E-002 1.434723E-001 1.719255E-003 4.672014E-007 2.460453E-005 4.044143E-005 3.224441E-006 1.408144E-005 1.492786E-005 8.955649E-006 4.134340E-005 9.208040E-007 9.208040E-007 4.722072E-004 3.858127E-007 2.754110E-006 1.510677E-006 1.510303E-006 5.133501E-005 7.739625E-006 2.184995E-005 1.131422E-004 2.439587E-004 4.542616E-006 8.002590E-007 9.201053E-007 1.223899E-006 2.090604E-006 6.043992E-006 2.220473E-005 4.757492E-004 - 4.410000E+004 2.166565E-005 4.008837E-004 6.110796E-006 7.805894E-003 2.077945E-002 1.434017E-001 1.717563E-003 4.660156E-007 2.455783E-005 4.038512E-005 3.215691E-006 1.404785E-005 1.489897E-005 8.938316E-006 4.126389E-005 9.196847E-007 9.196847E-007 4.716332E-004 3.846513E-007 2.747329E-006 1.508849E-006 1.508475E-006 5.130394E-005 7.734940E-006 2.181430E-005 1.130650E-004 2.437973E-004 4.535233E-006 7.983054E-007 9.176984E-007 1.220807E-006 2.085650E-006 6.031046E-006 2.215256E-005 4.751246E-004 + 4.350000E+004 2.180459E-005 4.013206E-004 6.128773E-006 7.818326E-003 2.079675E-002 1.435245E-001 1.720504E-003 4.680778E-007 2.463902E-005 4.048298E-005 3.230908E-006 1.410625E-005 1.494920E-005 8.968450E-006 4.140212E-005 9.216300E-007 9.216300E-007 4.726308E-004 3.866714E-007 2.759120E-006 1.512026E-006 1.511652E-006 5.135793E-005 7.743080E-006 2.187628E-005 1.131991E-004 2.440777E-004 4.548067E-006 8.017027E-007 9.218842E-007 1.226185E-006 2.094265E-006 6.053555E-006 2.224328E-005 4.762103E-004 + 4.380000E+004 2.174596E-005 4.011365E-004 6.121195E-006 7.813089E-003 2.078947E-002 1.434727E-001 1.719265E-003 4.672081E-007 2.460479E-005 4.044174E-005 3.224490E-006 1.408163E-005 1.492803E-005 8.955747E-006 4.134385E-005 9.208104E-007 9.208104E-007 4.722104E-004 3.858193E-007 2.754148E-006 1.510687E-006 1.510313E-006 5.133519E-005 7.739652E-006 2.185016E-005 1.131426E-004 2.439596E-004 4.542658E-006 8.002701E-007 9.201190E-007 1.223917E-006 2.090632E-006 6.044065E-006 2.220502E-005 4.757528E-004 + 4.410000E+004 2.167005E-005 4.008975E-004 6.111366E-006 7.806288E-003 2.078000E-002 1.434056E-001 1.717657E-003 4.660810E-007 2.456040E-005 4.038823E-005 3.216173E-006 1.404970E-005 1.490057E-005 8.939272E-006 4.126828E-005 9.197464E-007 9.197464E-007 4.716648E-004 3.847153E-007 2.747703E-006 1.508950E-006 1.508576E-006 5.130565E-005 7.735198E-006 2.181627E-005 1.130693E-004 2.438062E-004 4.535641E-006 7.984131E-007 9.178311E-007 1.220977E-006 2.085923E-006 6.031760E-006 2.215543E-005 4.751591E-004 diff --git a/travis/tests/short_ext1/output/photolysisRatesParameters.output.cmp b/travis/tests/short_ext1/output/photolysisRatesParameters.output.cmp index 173921308..348188a1c 100644 --- a/travis/tests/short_ext1/output/photolysisRatesParameters.output.cmp +++ b/travis/tests/short_ext1/output/photolysisRatesParameters.output.cmp @@ -1,4 +1,4 @@ t latitude longitude secx cosx lha sinld cosld eqtime 4.320000E+004 4.920000E+001 -2.100000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 - 4.350000E+004 4.920000E+001 -2.100000E+000 1.273129E+000 7.854661E-001 4.862766E-002 1.448830E-001 6.413412E-001 -1.095879E-002 - 4.380000E+004 4.920000E+001 -2.100000E+000 1.274579E+000 7.845727E-001 7.178144E-002 1.448830E-001 6.413412E-001 -1.095879E-002 + 4.350000E+004 4.920000E+001 -2.100000E+000 1.273107E+000 7.854802E-001 4.817415E-002 1.448830E-001 6.413412E-001 -1.095879E-002 + 4.380000E+004 4.920000E+001 -2.100000E+000 1.274568E+000 7.845796E-001 7.162994E-002 1.448830E-001 6.413412E-001 -1.095879E-002 diff --git a/travis/tests/short_ext1/output/productionRates.output.cmp b/travis/tests/short_ext1/output/productionRates.output.cmp index 937404cee..a30698082 100644 --- a/travis/tests/short_ext1/output/productionRates.output.cmp +++ b/travis/tests/short_ext1/output/productionRates.output.cmp @@ -1,116 +1,116 @@ time speciesNumber speciesName reactionNumber rate - 4.380000E+004 8 OH 15 8.278455E+006 O1D=OH+OH - 4.380000E+004 8 OH 15 8.278455E+006 O1D=OH+OH - 4.380000E+004 8 OH 20 7.122786E+005 HO2+O3=OH - 4.380000E+004 8 OH 27 5.325710E+006 HO2+NO=OH+NO2 - 4.380000E+004 8 OH 30 1.926736E+003 HO2+NO3=OH+NO2 - 4.380000E+004 8 OH 41 3.547094E+003 H2O2=OH+OH - 4.380000E+004 8 OH 41 3.547094E+003 H2O2=OH+OH - 4.380000E+004 8 OH 45 9.127215E+005 HONO=OH+NO - 4.380000E+004 8 OH 46 1.438522E+003 HNO3=OH+NO2 - 4.380000E+004 8 OH 93 1.414893E+004 CH3CO3+HO2=CH3O2+OH - 4.380000E+004 8 OH 106 2.157497E+003 HYETHO2H+OH=HOCH2CHO+OH - 4.380000E+004 8 OH 107 1.067381E+001 HYETHO2H=HOCH2CH2O+OH - 4.380000E+004 8 OH 116 5.232069E+004 BUT2OLOOH+OH=BUT2OLO+OH - 4.380000E+004 8 OH 118 1.236016E+002 BUT2OLOOH=BUT2OLAO+OH - 4.380000E+004 8 OH 150 2.188360E+001 CH3OOH=CH3O+OH - 4.380000E+004 8 OH 152 1.280145E+003 OH+CH3OOH=HCHO+OH - 4.380000E+004 8 OH 159 1.559654E+001 CH3CO3H=CH3O2+OH - 4.380000E+004 8 OH 162 1.386531E+003 HCOCH2OOH+OH=GLYOX+OH - 4.380000E+004 8 OH 164 3.253007E+000 HCOCH2OOH=HCOCH2O+OH - 4.380000E+004 8 OH 165 2.137995E+001 HCOCH2OOH=HO2+CO+HCHO+OH - 4.380000E+004 8 OH 172 6.104883E+001 HOCH2CO3+HO2=HO2+HCHO+OH - 4.380000E+004 8 OH 182 1.582403E+003 MEKAOOH+OH=CO2C3CHO+OH - 4.380000E+004 8 OH 184 2.213838E+000 MEKAOOH=MEKAO+OH - 4.380000E+004 8 OH 185 1.342212E+000 MEKAOOH=MEKAO+OH - 4.380000E+004 8 OH 196 8.186762E+002 MEKBOOH+OH=BIACET+OH - 4.380000E+004 8 OH 198 2.703767E+000 MEKBOOH=CH3CO3+CH3CHO+OH - 4.380000E+004 8 OH 199 2.973054E+000 MEKBOOH=MEKBO+OH - 4.380000E+004 8 OH 201 7.848670E+001 MEKCOOH+OH=EGLYOX+OH - 4.380000E+004 8 OH 203 5.102789E-001 MEKCOOH=C2H5CO3+HCHO+OH - 4.380000E+004 8 OH 204 5.611012E-001 MEKCOOH=MEKCO+OH - 4.380000E+004 8 OH 211 2.548709E-001 C2H5OOH=C2H5O+OH - 4.380000E+004 8 OH 213 2.990227E+001 OH+C2H5OOH=CH3CHO+OH - 4.380000E+004 8 OH 218 1.120516E+002 HCOCO=CO+OH - 4.380000E+004 8 OH 222 5.589385E-002 HOCH2CO3H=HCHO+HO2+OH - 4.380000E+004 8 OH 237 6.857326E+001 CO2C3CO3+HO2=CH3COCH2O2+OH - 4.380000E+004 8 OH 243 2.184882E+001 CH3COCH2O2+HO2=CH3COCH2O+OH - 4.380000E+004 8 OH 250 4.042007E+001 C2H5CO3+HO2=C2H5O2+OH - 4.380000E+004 8 OH 260 9.391153E-001 HCOCO3+HO2=HO2+CO+OH - 4.380000E+004 8 OH 266 2.408183E-003 BIACETOOH=BIACETO+OH - 4.380000E+004 8 OH 267 1.293301E-001 BIACETOOH=BIACETO+OH - 4.380000E+004 8 OH 269 2.112845E-001 OH+BIACETOOH=CO23C3CHO+OH - 4.380000E+004 8 OH 278 3.916323E+002 HOCO3C4OOH+OH=HO1CO3CHO+OH - 4.380000E+004 8 OH 279 1.237865E+000 HOCO3C4OOH=HO1CO3C4O+OH - 4.380000E+004 8 OH 280 7.504962E-001 HOCO3C4OOH=HO1CO3C4O+OH - 4.380000E+004 8 OH 288 6.877271E-002 CO2C3CO3H=CH3COCH2O2+OH - 4.380000E+004 8 OH 289 4.169570E-002 CO2C3CO3H=CH3COCH2O2+OH - 4.380000E+004 8 OH 294 1.045030E+001 HYPERACET+OH=MGLYOX+OH - 4.380000E+004 8 OH 295 7.733600E-002 HYPERACET=CH3CO3+HCHO+OH - 4.380000E+004 8 OH 296 8.503844E-002 HYPERACET=CH3COCH2O+OH - 4.380000E+004 8 OH 303 4.202366E-002 PERPROACID=C2H5O2+OH - 4.380000E+004 8 OH 309 4.965162E-004 HCOCO3H=HO2+CO+OH - 4.380000E+004 8 OH 310 1.631643E-003 HCOCO3H=HO2+CO+OH - 4.380000E+004 8 OH 314 1.181901E+002 HOC2H4CO3+HO2=HOCH2CH2O2+OH - 4.380000E+004 8 OH 321 9.853758E-002 HOC2H4CO3H=HOCH2CH2O2+OH - 4.380000E+004 9 HO2 16 5.897339E+006 OH+O3=HO2 - 4.380000E+004 9 HO2 17 6.862135E-001 OH+H2=HO2 - 4.380000E+004 9 HO2 18 3.806139E+002 OH+CO=HO2 - 4.380000E+004 9 HO2 19 3.279763E+004 OH+H2O2=HO2 - 4.380000E+004 9 HO2 26 2.202192E+003 OH+NO3=HO2+NO2 + 4.380000E+004 8 OH 15 8.278745E+006 O1D=OH+OH + 4.380000E+004 8 OH 15 8.278745E+006 O1D=OH+OH + 4.380000E+004 8 OH 20 7.120183E+005 HO2+O3=OH + 4.380000E+004 8 OH 27 5.329968E+006 HO2+NO=OH+NO2 + 4.380000E+004 8 OH 30 1.927150E+003 HO2+NO3=OH+NO2 + 4.380000E+004 8 OH 41 3.532534E+003 H2O2=OH+OH + 4.380000E+004 8 OH 41 3.532534E+003 H2O2=OH+OH + 4.380000E+004 8 OH 45 9.117877E+005 HONO=OH+NO + 4.380000E+004 8 OH 46 1.434449E+003 HNO3=OH+NO2 + 4.380000E+004 8 OH 93 1.409787E+004 CH3CO3+HO2=CH3O2+OH + 4.380000E+004 8 OH 106 2.149688E+003 HYETHO2H+OH=HOCH2CHO+OH + 4.380000E+004 8 OH 107 1.063584E+001 HYETHO2H=HOCH2CH2O+OH + 4.380000E+004 8 OH 116 5.220164E+004 BUT2OLOOH+OH=BUT2OLO+OH + 4.380000E+004 8 OH 118 1.233280E+002 BUT2OLOOH=BUT2OLAO+OH + 4.380000E+004 8 OH 150 2.170733E+001 CH3OOH=CH3O+OH + 4.380000E+004 8 OH 152 1.269755E+003 OH+CH3OOH=HCHO+OH + 4.380000E+004 8 OH 159 1.548123E+001 CH3CO3H=CH3O2+OH + 4.380000E+004 8 OH 162 1.377327E+003 HCOCH2OOH+OH=GLYOX+OH + 4.380000E+004 8 OH 164 3.231613E+000 HCOCH2OOH=HCOCH2O+OH + 4.380000E+004 8 OH 165 2.123938E+001 HCOCH2OOH=HO2+CO+HCHO+OH + 4.380000E+004 8 OH 172 6.073198E+001 HOCH2CO3+HO2=HO2+HCHO+OH + 4.380000E+004 8 OH 182 1.572543E+003 MEKAOOH+OH=CO2C3CHO+OH + 4.380000E+004 8 OH 184 2.200180E+000 MEKAOOH=MEKAO+OH + 4.380000E+004 8 OH 185 1.333937E+000 MEKAOOH=MEKAO+OH + 4.380000E+004 8 OH 196 8.129019E+002 MEKBOOH+OH=BIACET+OH + 4.380000E+004 8 OH 198 2.684876E+000 MEKBOOH=CH3CO3+CH3CHO+OH + 4.380000E+004 8 OH 199 2.952267E+000 MEKBOOH=MEKBO+OH + 4.380000E+004 8 OH 201 7.790815E+001 MEKCOOH+OH=EGLYOX+OH + 4.380000E+004 8 OH 203 5.065512E-001 MEKCOOH=C2H5CO3+HCHO+OH + 4.380000E+004 8 OH 204 5.569996E-001 MEKCOOH=MEKCO+OH + 4.380000E+004 8 OH 211 2.529007E-001 C2H5OOH=C2H5O+OH + 4.380000E+004 8 OH 213 2.966929E+001 OH+C2H5OOH=CH3CHO+OH + 4.380000E+004 8 OH 218 1.109897E+002 HCOCO=CO+OH + 4.380000E+004 8 OH 222 5.541054E-002 HOCH2CO3H=HCHO+HO2+OH + 4.380000E+004 8 OH 237 6.806675E+001 CO2C3CO3+HO2=CH3COCH2O2+OH + 4.380000E+004 8 OH 243 2.166495E+001 CH3COCH2O2+HO2=CH3COCH2O+OH + 4.380000E+004 8 OH 250 4.025315E+001 C2H5CO3+HO2=C2H5O2+OH + 4.380000E+004 8 OH 260 9.291024E-001 HCOCO3+HO2=HO2+CO+OH + 4.380000E+004 8 OH 266 2.370769E-003 BIACETOOH=BIACETO+OH + 4.380000E+004 8 OH 267 1.273201E-001 BIACETOOH=BIACETO+OH + 4.380000E+004 8 OH 269 2.079891E-001 OH+BIACETOOH=CO23C3CHO+OH + 4.380000E+004 8 OH 278 3.887224E+002 HOCO3C4OOH+OH=HO1CO3CHO+OH + 4.380000E+004 8 OH 279 1.228743E+000 HOCO3C4OOH=HO1CO3C4O+OH + 4.380000E+004 8 OH 280 7.449694E-001 HOCO3C4OOH=HO1CO3C4O+OH + 4.380000E+004 8 OH 288 6.800037E-002 CO2C3CO3H=CH3COCH2O2+OH + 4.380000E+004 8 OH 289 4.122764E-002 CO2C3CO3H=CH3COCH2O2+OH + 4.380000E+004 8 OH 294 1.032429E+001 HYPERACET+OH=MGLYOX+OH + 4.380000E+004 8 OH 295 7.640857E-002 HYPERACET=CH3CO3+HCHO+OH + 4.380000E+004 8 OH 296 8.401824E-002 HYPERACET=CH3COCH2O+OH + 4.380000E+004 8 OH 303 4.169974E-002 PERPROACID=C2H5O2+OH + 4.380000E+004 8 OH 309 4.894995E-004 HCOCO3H=HO2+CO+OH + 4.380000E+004 8 OH 310 1.608587E-003 HCOCO3H=HO2+CO+OH + 4.380000E+004 8 OH 314 1.176375E+002 HOC2H4CO3+HO2=HOCH2CH2O2+OH + 4.380000E+004 8 OH 321 9.775099E-002 HOC2H4CO3H=HOCH2CH2O2+OH + 4.380000E+004 9 HO2 16 5.897113E+006 OH+O3=HO2 + 4.380000E+004 9 HO2 17 6.814746E-001 OH+H2=HO2 + 4.380000E+004 9 HO2 18 3.779804E+002 OH+CO=HO2 + 4.380000E+004 9 HO2 19 3.266097E+004 OH+H2O2=HO2 + 4.380000E+004 9 HO2 26 2.203386E+003 OH+NO3=HO2+NO2 4.380000E+004 9 HO2 35 0.000000E+000 HSO3=HO2+SO3 - 4.380000E+004 9 HO2 48 1.409423E+006 HO2NO2=HO2+NO2 - 4.380000E+004 9 HO2 49 3.589627E+005 CH3OH+OH=HO2+HCHO - 4.380000E+004 9 HO2 51 4.387067E+005 C2H5OH+OH=CH3CHO+HO2 - 4.380000E+004 9 HO2 54 5.052225E+005 BUT2OL+OH=MEK+HO2 - 4.380000E+004 9 HO2 55 8.822241E+003 HCHO=CO+HO2+HO2 - 4.380000E+004 9 HO2 55 8.822241E+003 HCHO=CO+HO2+HO2 - 4.380000E+004 9 HO2 57 1.631790E-001 NO3+HCHO=HNO3+CO+HO2 - 4.380000E+004 9 HO2 58 1.346965E+005 OH+HCHO=HO2+CO - 4.380000E+004 9 HO2 59 2.545024E+004 C2H5O=CH3CHO+HO2 - 4.380000E+004 9 HO2 60 2.085100E+003 CH3CHO=CH3O2+HO2+CO - 4.380000E+004 9 HO2 109 2.321974E+004 HOCH2CH2O=HO2+HCHO+HCHO - 4.380000E+004 9 HO2 110 3.579274E+003 HOCH2CH2O=HO2+HOCH2CHO - 4.380000E+004 9 HO2 111 5.004659E+000 ETHGLY+OH=HOCH2CHO+HO2 - 4.380000E+004 9 HO2 113 3.078528E+002 HOCH2CHO+OH=GLYOX+HO2 - 4.380000E+004 9 HO2 115 6.906900E+001 HOCH2CHO=HO2+HCHO+HO2+CO - 4.380000E+004 9 HO2 115 6.906900E+001 HOCH2CHO=HO2+HCHO+HO2+CO - 4.380000E+004 9 HO2 119 3.002504E+005 BUT2OLAO=CH3CHO+CH3CHO+HO2 - 4.380000E+004 9 HO2 121 6.148793E+003 BUT2OLO+OH=BIACET+HO2 - 4.380000E+004 9 HO2 122 6.514892E+001 BUT2OLO=CH3CO3+CH3CHO+HO2 - 4.380000E+004 9 HO2 123 3.507850E+001 BUT2OLOH+OH=BUT2OLO+HO2 - 4.380000E+004 9 HO2 155 1.332882E+005 CH3O=HCHO+HO2 - 4.380000E+004 9 HO2 165 2.137995E+001 HCOCH2OOH=HO2+CO+HCHO+OH - 4.380000E+004 9 HO2 166 2.246163E+004 HCOCH2O=HCHO+CO+HO2 - 4.380000E+004 9 HO2 168 1.400917E+001 GLYOX=CO+CO+HO2+HO2 - 4.380000E+004 9 HO2 168 1.400917E+001 GLYOX=CO+CO+HO2+HO2 - 4.380000E+004 9 HO2 172 6.104883E+001 HOCH2CO3+HO2=HO2+HCHO+OH - 4.380000E+004 9 HO2 175 7.431552E+002 HOCH2CO3+NO=NO2+HO2+HCHO - 4.380000E+004 9 HO2 177 1.157567E-001 HOCH2CO3+NO3=NO2+HO2+HCHO - 4.380000E+004 9 HO2 178 4.218717E+000 HOCH2CO3=HCHO+HO2 - 4.380000E+004 9 HO2 189 1.876823E+003 MEKAO=CO2C3CHO+HO2 - 4.380000E+004 9 HO2 194 1.409709E+000 MEKAOH+OH=CO2C3CHO+HO2 - 4.380000E+004 9 HO2 206 2.216373E+000 EGLYOX=C2H5CO3+CO+HO2 - 4.380000E+004 9 HO2 209 6.868553E-002 MEKCOH+OH=EGLYOX+HO2 - 4.380000E+004 9 HO2 210 1.239715E-003 MEKCOH=C2H5CO3+HCHO+HO2 - 4.380000E+004 9 HO2 216 4.549759E+001 HCOCO=CO+CO+HO2 - 4.380000E+004 9 HO2 217 6.251985E+001 HCOCO=CO+CO+HO2 - 4.380000E+004 9 HO2 220 6.296880E-001 HOCH2CO2H+OH=HCHO+HO2 - 4.380000E+004 9 HO2 222 5.589385E-002 HOCH2CO3H=HCHO+HO2+OH - 4.380000E+004 9 HO2 260 9.391153E-001 HCOCO3+HO2=HO2+CO+OH - 4.380000E+004 9 HO2 261 1.143197E+001 HCOCO3+NO=HO2+CO+NO2 - 4.380000E+004 9 HO2 262 1.556648E+001 HCOCO3+NO2=HO2+CO+NO3 - 4.380000E+004 9 HO2 263 1.780688E-003 HCOCO3+NO3=HO2+CO+NO2 - 4.380000E+004 9 HO2 264 6.489659E-002 HCOCO3=CO+HO2 - 4.380000E+004 9 HO2 272 2.331685E-004 OH+BIACETOH=CO23C3CHO+HO2 - 4.380000E+004 9 HO2 273 4.845523E-003 CO23C3CHO=CH3CO3+CO+CO+HO2 - 4.380000E+004 9 HO2 282 6.969287E-001 HO14CO2C4+OH=HO1CO3CHO+HO2 - 4.380000E+004 9 HO2 286 9.685012E+000 HO1CO3CHO=HOC2H4CO3+HO2+CO - 4.380000E+004 9 HO2 297 4.181886E-002 ACETOL+OH=MGLYOX+HO2 - 4.380000E+004 9 HO2 298 5.871303E-004 ACETOL=CH3CO3+HCHO+HO2 - 4.380000E+004 9 HO2 299 4.184065E-001 MGLYOX=CH3CO3+CO+HO2 - 4.380000E+004 9 HO2 307 5.136013E-003 HCOCO2H=HO2+HO2+CO - 4.380000E+004 9 HO2 307 5.136013E-003 HCOCO2H=HO2+HO2+CO - 4.380000E+004 9 HO2 308 2.476697E-002 OH+HCOCO2H=CO+HO2 - 4.380000E+004 9 HO2 309 4.965162E-004 HCOCO3H=HO2+CO+OH - 4.380000E+004 9 HO2 310 1.631643E-003 HCOCO3H=HO2+CO+OH + 4.380000E+004 9 HO2 48 1.410642E+006 HO2NO2=HO2+NO2 + 4.380000E+004 9 HO2 49 3.589888E+005 CH3OH+OH=HO2+HCHO + 4.380000E+004 9 HO2 51 4.388790E+005 C2H5OH+OH=CH3CHO+HO2 + 4.380000E+004 9 HO2 54 5.058077E+005 BUT2OL+OH=MEK+HO2 + 4.380000E+004 9 HO2 55 8.791680E+003 HCHO=CO+HO2+HO2 + 4.380000E+004 9 HO2 55 8.791680E+003 HCHO=CO+HO2+HO2 + 4.380000E+004 9 HO2 57 1.627087E-001 NO3+HCHO=HNO3+CO+HO2 + 4.380000E+004 9 HO2 58 1.342214E+005 OH+HCHO=HO2+CO + 4.380000E+004 9 HO2 59 2.545757E+004 C2H5O=CH3CHO+HO2 + 4.380000E+004 9 HO2 60 2.080591E+003 CH3CHO=CH3O2+HO2+CO + 4.380000E+004 9 HO2 109 2.322781E+004 HOCH2CH2O=HO2+HCHO+HCHO + 4.380000E+004 9 HO2 110 3.580518E+003 HOCH2CH2O=HO2+HOCH2CHO + 4.380000E+004 9 HO2 111 4.978593E+000 ETHGLY+OH=HOCH2CHO+HO2 + 4.380000E+004 9 HO2 113 3.066309E+002 HOCH2CHO+OH=GLYOX+HO2 + 4.380000E+004 9 HO2 115 6.879924E+001 HOCH2CHO=HO2+HCHO+HO2+CO + 4.380000E+004 9 HO2 115 6.879924E+001 HOCH2CHO=HO2+HCHO+HO2+CO + 4.380000E+004 9 HO2 119 3.006741E+005 BUT2OLAO=CH3CHO+CH3CHO+HO2 + 4.380000E+004 9 HO2 121 6.110505E+003 BUT2OLO+OH=BIACET+HO2 + 4.380000E+004 9 HO2 122 6.474755E+001 BUT2OLO=CH3CO3+CH3CHO+HO2 + 4.380000E+004 9 HO2 123 3.492409E+001 BUT2OLOH+OH=BUT2OLO+HO2 + 4.380000E+004 9 HO2 155 1.328767E+005 CH3O=HCHO+HO2 + 4.380000E+004 9 HO2 165 2.123938E+001 HCOCH2OOH=HO2+CO+HCHO+OH + 4.380000E+004 9 HO2 166 2.240602E+004 HCOCH2O=HCHO+CO+HO2 + 4.380000E+004 9 HO2 168 1.387550E+001 GLYOX=CO+CO+HO2+HO2 + 4.380000E+004 9 HO2 168 1.387550E+001 GLYOX=CO+CO+HO2+HO2 + 4.380000E+004 9 HO2 172 6.073198E+001 HOCH2CO3+HO2=HO2+HCHO+OH + 4.380000E+004 9 HO2 175 7.404513E+002 HOCH2CO3+NO=NO2+HO2+HCHO + 4.380000E+004 9 HO2 177 1.152682E-001 HOCH2CO3+NO3=NO2+HO2+HCHO + 4.380000E+004 9 HO2 178 4.190251E+000 HOCH2CO3=HCHO+HO2 + 4.380000E+004 9 HO2 189 1.871370E+003 MEKAO=CO2C3CHO+HO2 + 4.380000E+004 9 HO2 194 1.397326E+000 MEKAOH+OH=CO2C3CHO+HO2 + 4.380000E+004 9 HO2 206 2.193094E+000 EGLYOX=C2H5CO3+CO+HO2 + 4.380000E+004 9 HO2 209 6.805771E-002 MEKCOH+OH=EGLYOX+HO2 + 4.380000E+004 9 HO2 210 1.228465E-003 MEKCOH=C2H5CO3+HCHO+HO2 + 4.380000E+004 9 HO2 216 4.506641E+001 HCOCO=CO+CO+HO2 + 4.380000E+004 9 HO2 217 6.192735E+001 HCOCO=CO+CO+HO2 + 4.380000E+004 9 HO2 220 6.240337E-001 HOCH2CO2H+OH=HCHO+HO2 + 4.380000E+004 9 HO2 222 5.541054E-002 HOCH2CO3H=HCHO+HO2+OH + 4.380000E+004 9 HO2 260 9.291024E-001 HCOCO3+HO2=HO2+CO+OH + 4.380000E+004 9 HO2 261 1.132772E+001 HCOCO3+NO=HO2+CO+NO2 + 4.380000E+004 9 HO2 262 1.542338E+001 HCOCO3+NO2=HO2+CO+NO3 + 4.380000E+004 9 HO2 263 1.763419E-003 HCOCO3+NO3=HO2+CO+NO2 + 4.380000E+004 9 HO2 264 6.410415E-002 HCOCO3=CO+HO2 + 4.380000E+004 9 HO2 272 2.291520E-004 OH+BIACETOH=CO23C3CHO+HO2 + 4.380000E+004 9 HO2 273 4.753038E-003 CO23C3CHO=CH3CO3+CO+CO+HO2 + 4.380000E+004 9 HO2 282 6.905281E-001 HO14CO2C4+OH=HO1CO3CHO+HO2 + 4.380000E+004 9 HO2 286 9.582366E+000 HO1CO3CHO=HOC2H4CO3+HO2+CO + 4.380000E+004 9 HO2 297 4.124643E-002 ACETOL+OH=MGLYOX+HO2 + 4.380000E+004 9 HO2 298 5.791319E-004 ACETOL=CH3CO3+HCHO+HO2 + 4.380000E+004 9 HO2 299 4.123801E-001 MGLYOX=CH3CO3+CO+HO2 + 4.380000E+004 9 HO2 307 5.062355E-003 HCOCO2H=HO2+HO2+CO + 4.380000E+004 9 HO2 307 5.062355E-003 HCOCO2H=HO2+HO2+CO + 4.380000E+004 9 HO2 308 2.441039E-002 OH+HCOCO2H=CO+HO2 + 4.380000E+004 9 HO2 309 4.894995E-004 HCOCO3H=HO2+CO+OH + 4.380000E+004 9 HO2 310 1.608587E-003 HCOCO3H=HO2+CO+OH diff --git a/travis/tests/short_ext1/output/speciesConcentrations.output.cmp b/travis/tests/short_ext1/output/speciesConcentrations.output.cmp index 110547961..2e295a292 100644 --- a/travis/tests/short_ext1/output/speciesConcentrations.output.cmp +++ b/travis/tests/short_ext1/output/speciesConcentrations.output.cmp @@ -1,5 +1,5 @@ t O3 NO2 NO HCHO CH3CHO MEK 4.320000E+004 1.200000E+012 6.200000E+009 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 - 4.350000E+004 1.199231E+012 3.927130E+009 1.301437E+009 5.318476E+007 1.158474E+008 9.002775E+007 - 4.380000E+004 1.196848E+012 3.326691E+009 1.098290E+009 1.128015E+008 2.078047E+008 1.708390E+008 - 4.410000E+004 1.194363E+012 2.844137E+009 9.349845E+008 1.712671E+008 2.617579E+008 2.371131E+008 + 4.350000E+004 1.199231E+012 3.927051E+009 1.301521E+009 5.318455E+007 1.158463E+008 9.002731E+007 + 4.380000E+004 1.196848E+012 3.326707E+009 1.098282E+009 1.128020E+008 2.078028E+008 1.708384E+008 + 4.410000E+004 1.194364E+012 2.844142E+009 9.349840E+008 1.712677E+008 2.617560E+008 2.371123E+008 diff --git a/travis/tests/short_ext1/short_ext1.out.cmp b/travis/tests/short_ext1/short_ext1.out.cmp index 31bbda1da..40dbd3e94 100644 --- a/travis/tests/short_ext1/short_ext1.out.cmp +++ b/travis/tests/short_ext1/short_ext1.out.cmp @@ -168,10 +168,10 @@ AtChem2 v1.1-dev ------------------ Final statistics ------------------ - No. steps = 146 No. f-s = 172 No. J-s = 325 No. LU-s = 43 - No. nonlinear iterations = 171 + No. steps = 152 No. f-s = 176 No. J-s = 169 No. LU-s = 44 + No. nonlinear iterations = 175 No. nonlinear convergence failures = 0 - No. error test failures = 1 + No. error test failures = 2 Runtime = 0 Deallocating memory. diff --git a/travis/tests/short_ext2/output/environmentVariables.output.cmp b/travis/tests/short_ext2/output/environmentVariables.output.cmp index fa7ef7d8b..c5255b05a 100644 --- a/travis/tests/short_ext2/output/environmentVariables.output.cmp +++ b/travis/tests/short_ext2/output/environmentVariables.output.cmp @@ -1,4 +1,4 @@ t M TEMP PRESS RH H2O DEC BLHEIGHT DILUTE JFAC ROOFOPEN RO2 - 4.350000E+004 2.445710E+019 3.000000E+002 1.013000E+003 8.000000E+001 7.021606E+017 1.900000E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 1.695620E+007 - 4.380000E+004 2.445710E+019 3.000000E+002 1.013000E+003 8.000000E+001 7.021606E+017 1.900000E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 2.487963E+007 - 4.410000E+004 2.445710E+019 3.000000E+002 1.013000E+003 8.000000E+001 7.021606E+017 1.900000E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 3.230087E+007 + 4.350000E+004 2.445710E+019 3.000000E+002 1.013000E+003 8.000000E+001 7.021606E+017 1.900000E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 1.695650E+007 + 4.380000E+004 2.445710E+019 3.000000E+002 1.013000E+003 8.000000E+001 7.021606E+017 1.900000E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 2.487972E+007 + 4.410000E+004 2.445710E+019 3.000000E+002 1.013000E+003 8.000000E+001 7.021606E+017 1.900000E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 3.230084E+007 diff --git a/travis/tests/short_ext2/output/finalModelState.output.cmp b/travis/tests/short_ext2/output/finalModelState.output.cmp index 96bbf312d..ffacb1ccc 100644 --- a/travis/tests/short_ext2/output/finalModelState.output.cmp +++ b/travis/tests/short_ext2/output/finalModelState.output.cmp @@ -1,104 +1,104 @@ - O 7405.6227581620869 - O3 1194394737629.4514 - NO 935886119.58753610 - NO2 2849630336.0694795 - NO3 771909.27566483582 - O1D 2.7287563288988421E-002 - N2O5 48128.628994976265 - OH 66366098.710931011 - HO2 303609691.98498398 - H2 3022979.6672712495 - CO 51607376.808535315 - H2O2 444459176.06922376 - HONO 280927355.63509315 - HNO3 2052249844.2054825 - HO2NO2 8132991.4231627006 + O 7405.6235194473720 + O3 1194394749877.4697 + NO 935885257.99845600 + NO2 2849636541.2148542 + NO3 771911.49069244531 + O1D 2.7287563570030683E-002 + N2O5 48128.257224747023 + OH 66366192.774162091 + HO2 303609938.31084949 + H2 3022995.2758042281 + CO 51608014.466049559 + H2O2 444457191.50590026 + HONO 280932799.31863427 + HNO3 2052239739.1200237 + HO2NO2 8133107.4641242521 SO2 0.0000000000000000 SO3 0.0000000000000000 HSO3 0.0000000000000000 - NA 5952695.1040193681 + NA 5952658.1997767910 SA 0.0000000000000000 - CH3OH 2942342052.3305860 - HCHO 170692944.75468352 - C2H5OH 1079878125.4046967 - C2H5O 0.29328767640883774 - CH3CHO 261391121.71858606 - HOCH2CH2O2 1061759.5918711247 - BUT2OL 586396088.92609763 - BUT2OLO2 10175719.223103985 - MEK 236467571.19358972 - CH3O2 12283671.791481499 - CH3CO3 5872800.0943366745 - HCOCH2O2 1082238.5336021890 - HYETHO2H 1674923.0801182210 - ETHOHNO3 39305.227526695853 - HOCH2CH2O 3.5502912448986644E-002 - ETHGLY 4450.6346626461564 - HOCH2CHO 1733797.4501747519 - BUT2OLOOH 16359393.539583087 - BUT2OLAO 2.7397743899050123E-003 - BUT2OLNO3 3719693.9345355490 - BUT2OLO 14506862.595874965 - BUT2OLOH 23486.547559059607 - MEKAO2 583749.97539511567 - MEKBO2 592126.52776926197 - MEKCO2 101251.31633961694 - C2H5O2 85168.117892263035 - CH3OOH 5471628.5297028096 - CH3NO3 39232.000596627200 - CH3O 8.7142259295747575 - CH3O2NO2 107738.66576543647 - CH3CO2H 1519730.5233376632 - CH3CO3H 3720674.4780277521 - PAN 61254127.233025819 - HCOCH2OOH 686457.49268502591 - HCOCH2O 9.1265056933847732E-003 - GLYOX 424674.09140584699 - HOCH2CO3 20494.741432491031 - BIACET 1896795.3425424197 - MEKAOOH 456061.06061722984 - MEKANO3 74990.161640655220 - MEKAO 2.5746025775951319E-002 - CO2C3CHO 412372.67830414156 - MEKAOH 1978.6089578435003 - MEKBOOH 671756.33551007730 - MEKBO 4.9818848249480966E-003 - MEKCOOH 131749.18313362982 - MEKCO 8.5415698846882395E-004 - EGLYOX 19311.123391274239 - MEKCOH 395.35909823591214 - C2H5OOH 62244.631075641206 - C2H5NO3 2929.4006737236555 - HCOCO 2.1497584676879190E-006 - HOCH2CO2H 4512.5902087450513 - HOCH2CO3H 10320.172231833933 - PHAN 170970.00831871366 - BIACETO2 1868.6126637925811 - HO1CO3C4O2 261765.94287901997 - CO2C3CO3 42173.908728609189 - CH3COCH2O2 64605.735685308013 - C2H5CO3 17389.870935446448 - HCOCO3 548.75717614659663 - BIACETOOH 1336.5464591081000 - BIACETO 1.6084287069246179E-005 - BIACETOH 3.9802291228220548 - CO23C3CHO 76.584530339572865 - HOCO3C4OOH 284234.73408374749 - HO1CO3C4O 2.2087832339548683E-003 - HO14CO2C4 856.52844332503037 - HO1CO3CHO 82469.006286654170 - CO2C3CO3H 24590.529124766668 - CO2C3PAN 287384.02693475119 - CH3COCH2O 5.7227436299623323E-004 - HYPERACET 31959.550307389094 - ACETOL 295.11622465052648 - MGLYOX 5486.5043206413502 - PERPROACID 10403.291545338758 - PROPACID 4545.9402231717377 - PPN 198389.41330704538 - HCOCO2H 69.158391184772952 - HCOCO3H 162.23999657510370 - HOC2H4CO3 53541.178791533603 - HOC2H4CO2H 10783.099945445223 - HOC2H4CO3H 24734.179248757544 - C3PAN1 457733.95393861341 + CH3OH 2942342224.2189922 + HCHO 170693603.77513793 + C2H5OH 1079878496.2129612 + C2H5O 0.29328767146072982 + CH3CHO 261389283.94253546 + HOCH2CH2O2 1061771.4201866856 + BUT2OL 586397240.66431296 + BUT2OLO2 10175962.964102494 + MEK 236466778.84800559 + CH3O2 12283400.625301927 + CH3CO3 5872855.9583597649 + HCOCH2O2 1082200.4429015992 + HYETHO2H 1674916.5040530276 + ETHOHNO3 39305.188112245720 + HOCH2CH2O 3.5503345489684118E-002 + ETHGLY 4450.6808000534784 + HOCH2CHO 1733796.1945819347 + BUT2OLOOH 16359309.765940931 + BUT2OLAO 2.7398419282597033E-003 + BUT2OLNO3 3719671.5994899827 + BUT2OLO 14506749.447040232 + BUT2OLOH 23486.820954243161 + MEKAO2 583737.68334395520 + MEKBO2 592114.23979882570 + MEKCO2 101249.21644667865 + C2H5O2 85166.143202553591 + CH3OOH 5471739.0485676816 + CH3NO3 39233.313322701317 + CH3O 8.7140548178822250 + CH3O2NO2 107733.33318888351 + CH3CO2H 1519755.0388888239 + CH3CO3H 3720738.1878178855 + PAN 61253385.614030063 + HCOCH2OOH 686458.17873362917 + HCOCH2O 9.1262032721579033E-003 + GLYOX 424688.24891154026 + HOCH2CO3 20494.999666217267 + BIACET 1896842.7847119141 + MEKAOOH 456057.09497901733 + MEKANO3 74991.175226925610 + MEKAO 2.5745529321169941E-002 + CO2C3CHO 412369.64128124452 + MEKAOH 1978.6052609120457 + MEKBOOH 671761.11191429046 + MEKBO 4.9817895968646215E-003 + MEKCOOH 131750.31749793724 + MEKCO 8.5414078783618895E-004 + EGLYOX 19311.374578918181 + MEKCOH 395.35694286310246 + C2H5OOH 62245.032561581946 + C2H5NO3 2929.4514083722206 + HCOCO 2.1498075227113672E-006 + HOCH2CO2H 4512.6558222014328 + HOCH2CO3H 10320.334560038977 + PHAN 170968.81113591517 + BIACETO2 1868.6204926369480 + HO1CO3C4O2 261756.24484947562 + CO2C3CO3 42174.341280081513 + CH3COCH2O2 64606.868498904885 + C2H5CO3 17389.534745994504 + HCOCO3 548.77788425941367 + BIACETOOH 1336.4796242232951 + BIACETO 1.6084355939919852E-005 + BIACETOH 3.9804506180677777 + CO23C3CHO 76.592233690432749 + HOCO3C4OOH 284238.28663799312 + HO1CO3C4O 2.2087072833503361E-003 + HO14CO2C4 856.52792863862692 + HO1CO3CHO 82473.092213457639 + CO2C3CO3H 24590.989702632975 + CO2C3PAN 287391.66301876929 + CH3COCH2O 5.7228441201218571E-004 + HYPERACET 31960.197612676180 + ACETOL 295.10868150555569 + MGLYOX 5486.2451931549758 + PERPROACID 10403.508371860804 + PROPACID 4546.0266256389732 + PPN 198389.80456652821 + HCOCO2H 69.157770273928278 + HCOCO3H 162.23718273442697 + HOC2H4CO3 53539.833634771290 + HOC2H4CO2H 10783.491671471500 + HOC2H4CO3H 24735.116778151481 + C3PAN1 457736.78966777911 diff --git a/travis/tests/short_ext2/output/instantaneousRates/43500.cmp b/travis/tests/short_ext2/output/instantaneousRates/43500.cmp index 25ec33b24..99ce15b65 100644 --- a/travis/tests/short_ext2/output/instantaneousRates/43500.cmp +++ b/travis/tests/short_ext2/output/instantaneousRates/43500.cmp @@ -1,325 +1,325 @@ reactionNumber reactionRate -1 4.142246E+008 -2 1.190660E+008 -3 7.555430E+001 -4 2.170323E+001 -5 3.032592E+002 -6 6.087390E+001 -7 5.648053E+006 -8 1.623275E+007 -9 2.751159E+007 -10 1.738353E+005 -11 1.649066E-001 -12 3.052640E+004 -13 2.394593E+000 -14 4.387532E+003 -15 4.140164E+006 -16 5.810819E+006 -17 1.528468E-001 -18 8.222590E+001 -19 1.297301E+004 -20 6.627821E+005 -21 1.952780E+006 -22 2.973777E+005 -23 2.229208E+005 -24 8.137522E+005 -25 2.481265E+006 -26 1.191140E+003 -27 2.960828E+006 -28 7.794472E+005 -29 2.065927E+003 -30 9.841682E+002 -31 7.030517E+004 -32 8.003842E+003 +1 4.143079E+008 +2 1.190899E+008 +3 7.557177E+001 +4 2.175506E+001 +5 3.042003E+002 +6 6.106280E+001 +7 5.648404E+006 +8 1.623376E+007 +9 2.757258E+007 +10 1.743449E+005 +11 1.656285E-001 +12 3.064597E+004 +13 2.405687E+000 +14 4.407860E+003 +15 4.140422E+006 +16 5.806920E+006 +17 1.478461E-001 +18 7.945400E+001 +19 1.269698E+004 +20 6.616684E+005 +21 1.948073E+006 +22 2.963613E+005 +23 2.221589E+005 +24 8.149598E+005 +25 2.486719E+006 +26 1.192360E+003 +27 2.962227E+006 +28 7.803717E+005 +29 2.066304E+003 +30 9.841811E+002 +31 6.945705E+004 +32 7.881874E+003 33 0.000000E+000 34 0.000000E+000 35 0.000000E+000 -36 4.855543E+003 -37 3.116611E+001 +36 4.784905E+003 +37 3.125940E+001 38 0.000000E+000 -39 2.602096E+007 -40 4.808408E+008 -41 7.127996E+002 -42 3.043885E+007 -43 1.892101E+004 -44 1.305771E+005 -45 3.104869E+005 -46 3.775377E+002 -47 4.431376E+003 -48 7.802121E+005 -49 1.798812E+005 -50 1.282534E+004 -51 2.308560E+005 -52 1.282534E+004 -53 1.687572E+005 -54 2.987143E+005 -55 1.371189E+003 -56 2.254418E+003 -57 2.793426E-002 -58 3.090945E+004 -59 1.306817E+004 -60 3.892957E+002 -61 3.127680E-001 -62 1.115503E+005 -63 5.871069E+003 -64 2.731020E+003 -65 5.015686E+001 -66 9.981215E+003 -67 1.814894E+000 -68 5.245031E+000 -69 1.573509E+001 -70 5.245031E+000 -71 4.151506E+004 -72 1.230207E+005 -73 5.259487E+003 -74 2.320868E+001 -75 1.015396E+002 -76 3.384652E+001 -77 3.384652E+001 -78 3.134000E+003 -79 3.154484E+003 -80 5.394031E+002 -81 2.583103E+002 -82 3.626646E+003 -83 3.479748E+002 -84 2.833872E+001 -85 2.831038E+004 -86 6.475061E+004 -87 3.140223E+000 -88 1.303384E+001 -89 1.082458E+001 -90 1.082458E+001 -91 9.652853E+002 -92 2.638446E+003 -93 2.831503E+003 -94 4.445263E+004 -95 6.030401E+004 -96 6.358556E+000 -97 4.213797E+001 -98 9.832193E+001 -99 7.353849E+002 -100 3.669760E+003 -101 6.639397E-001 -102 2.200592E+000 -103 6.601776E+000 -104 2.200592E+000 -105 1.189937E+002 -106 4.587713E+002 -107 2.306260E+000 -108 6.718580E-001 -109 8.125336E+003 -110 1.878755E+003 -111 7.984930E-001 -112 1.238627E-003 -113 6.265544E+001 -114 2.506218E+002 -115 7.140595E+000 -116 1.381597E+004 -117 1.711159E+003 -118 3.316459E+001 -119 1.232174E+005 -120 1.582507E+002 -121 6.682835E+002 -122 4.794258E+000 -123 6.338898E+000 -124 5.982237E+002 -125 6.100022E+001 -126 1.787491E+003 -127 3.344325E-001 -128 1.108458E+000 -129 3.325375E+000 -130 1.108458E+000 -131 6.029175E+002 -132 1.862995E+003 -133 3.370565E-001 -134 4.915485E-001 -135 4.915485E-001 -136 1.474645E+000 -137 1.030240E+002 -138 3.183408E+002 -139 5.759480E-002 -140 1.908949E-001 -141 5.726846E-001 -142 1.908949E-001 -143 4.428365E+001 -144 2.204766E+000 -145 2.427692E+002 -146 4.390172E-002 -147 6.512056E-002 -148 2.170685E-002 -149 2.170685E-002 -150 1.616478E+000 -151 1.395915E+002 -152 9.306099E+001 -153 2.513985E-003 -154 4.923195E-003 -155 2.831872E+004 -156 6.462323E+004 -157 6.470807E+000 -158 7.748333E+001 -159 1.452773E+000 -160 1.536847E+001 -161 4.592707E+003 -162 1.341595E+002 -163 1.650194E+001 -164 3.198301E-001 -165 1.050834E+000 -166 3.678600E+003 -167 9.229944E-001 -168 3.926279E-001 -169 1.391571E-001 -170 4.652205E-005 -171 1.132946E+001 -172 6.088542E+000 -173 2.075639E+000 -174 5.673414E+000 -175 9.558587E+001 -176 1.296709E+002 -177 1.367955E-002 -178 4.560070E-001 -179 1.954316E-001 -180 1.537589E+001 -181 9.922340E-001 -182 1.755688E+002 -183 1.287758E+001 -184 2.495851E-001 -185 1.512467E-001 -186 5.001904E-001 -187 9.693149E-003 -188 2.181306E-002 -189 4.565364E+002 -190 1.335795E+003 -191 5.477931E-004 -192 2.476572E+002 -193 7.894970E-001 -194 9.722991E-002 -195 3.027780E-004 -196 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b/travis/tests/short_ext2/output/instantaneousRates/43800.cmp index e6b7386b8..8153a4475 100644 --- a/travis/tests/short_ext2/output/instantaneousRates/43800.cmp +++ b/travis/tests/short_ext2/output/instantaneousRates/43800.cmp @@ -1,325 +1,325 @@ reactionNumber reactionRate -1 4.093897E+008 -2 1.176762E+008 -3 7.451539E+001 -4 1.793906E+001 -5 2.518390E+002 -6 5.055222E+001 -7 5.621159E+006 -8 1.615545E+007 -9 2.296020E+007 -10 1.457578E+005 -11 1.153417E-001 -12 2.324447E+004 -13 1.831933E+000 -14 3.356589E+003 -15 4.120451E+006 -16 5.875830E+006 -17 6.759150E-001 -18 3.742862E+002 -19 3.241888E+004 -20 7.104474E+005 -21 2.125566E+006 -22 3.431303E+005 -23 2.572180E+005 -24 6.896242E+005 -25 2.112648E+006 -26 1.098951E+003 -27 2.659884E+006 -28 7.035097E+005 -29 1.890521E+003 -30 9.625304E+002 -31 1.042715E+005 -32 1.534689E+004 +1 4.093820E+008 +2 1.176740E+008 +3 7.451372E+001 +4 1.793418E+001 +5 2.517605E+002 +6 5.053646E+001 +7 5.621109E+006 +8 1.615531E+007 +9 2.295431E+007 +10 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3.433607E+000 -303 5.299601E-002 -304 4.098241E-001 -305 1.844837E+001 -306 1.743256E-014 -307 9.756412E-003 -308 7.047263E-002 -309 9.128350E-004 -310 2.997603E-003 -311 2.114143E-001 -312 3.576804E+001 -313 9.776597E+001 -314 1.049196E+002 -315 1.029217E+003 -316 1.409534E+003 -317 1.745647E-001 -318 5.736521E+000 -319 1.338521E+001 -320 1.124284E+001 -321 1.258462E-001 -322 3.191327E+001 -323 2.953358E+002 -324 1.506577E+002 +39 2.575172E+007 +40 4.783154E+008 +41 2.844293E+003 +42 2.181314E+007 +43 1.588407E+004 +44 1.096162E+005 +45 4.819355E+005 +46 9.834781E+002 +47 2.662953E+003 +48 6.329180E+005 +49 1.757849E+005 +50 1.139965E+004 +51 2.051938E+005 +52 1.139965E+004 +53 1.196598E+005 +54 2.118078E+005 +55 4.348215E+003 +56 7.155141E+003 +57 7.466327E-002 +58 9.972567E+004 +59 1.213498E+004 +60 8.521950E+002 +61 5.778766E-001 +62 2.487879E+005 +63 1.309410E+004 +64 3.812411E+003 +65 4.410098E+001 +66 8.776095E+003 +67 1.884886E+000 +68 1.239025E+001 +69 3.717075E+001 +70 1.239025E+001 +71 4.267274E+004 +72 7.964638E+004 +73 3.405111E+003 +74 1.774820E+001 +75 1.766190E+002 +76 5.887299E+001 +77 5.887299E+001 +78 8.242485E+003 +79 8.296357E+003 +80 1.418641E+003 +81 6.670926E+002 +82 1.830296E+004 +83 1.756160E+003 +84 9.008230E+001 +85 8.999222E+004 +86 2.076878E+005 +87 1.179059E+001 +88 1.113130E+002 +89 9.244524E+001 +90 9.244524E+001 +91 3.819287E+003 +92 1.043938E+004 +93 1.120324E+004 +94 1.107815E+005 +95 1.516434E+005 +96 1.871733E+001 +97 2.821353E+002 +98 6.583156E+002 +99 2.934133E+003 +100 9.222437E+003 +101 1.970845E+000 +102 1.485804E+001 +103 4.457413E+001 +104 1.485804E+001 +105 4.133451E+002 +106 1.593621E+003 +107 7.877619E+000 +108 2.275640E+000 +109 7.166553E+003 +110 1.657063E+003 +111 4.552611E+000 +112 3.941322E-003 +113 2.406612E+002 +114 9.626447E+002 +115 2.695582E+001 +116 3.186487E+004 +117 3.946581E+003 +118 7.521479E+001 +119 7.992118E+004 +120 4.546964E+002 +121 6.010951E+003 +122 4.234373E+001 +123 2.824010E+001 +124 2.579361E+003 +125 1.656621E+002 +126 4.854400E+003 +127 1.072793E+000 +128 8.087700E+000 +129 2.426310E+001 +130 8.087700E+000 +131 2.617762E+003 +132 5.094800E+003 +133 1.088764E+000 +134 3.611568E+000 +135 3.611568E+000 +136 1.083470E+001 +137 4.476845E+002 +138 8.713025E+002 +139 1.861983E-001 +140 1.403734E+000 +141 4.211203E+000 +142 1.403734E+000 +143 2.129133E+002 +144 6.676748E+000 +145 7.351841E+002 +146 1.570362E-001 +147 5.298277E-001 +148 1.766092E-001 +149 1.766092E-001 +150 2.707109E+001 +151 2.377372E+003 +152 1.584915E+003 +153 3.379022E-002 +154 6.738680E-002 +155 9.014579E+004 +156 2.076333E+005 +157 8.821822E+001 +158 9.956219E+002 +159 1.835615E+001 +160 1.300610E+002 +161 3.832406E+004 +162 1.417988E+003 +163 1.744161E+002 +164 3.324058E+000 +165 1.091581E+001 +166 9.272834E+003 +167 2.418982E+001 +168 1.027221E+001 +169 3.647026E+000 +170 1.025423E-003 +171 3.014387E+002 +172 4.008293E+001 +173 1.366464E+001 +174 3.735000E+001 +175 3.963537E+002 +176 5.425495E+002 +177 6.700032E-002 +178 5.080130E+000 +179 2.177199E+000 +180 5.167114E+002 +181 3.385471E+001 +182 1.579235E+003 +183 1.158333E+002 +184 2.207577E+000 +185 1.335889E+000 +186 5.163870E+000 +187 9.825229E-002 +188 2.211270E-001 +189 1.244011E+003 +190 3.639893E+003 +191 3.819275E-003 +192 2.084304E+003 +193 6.530275E+000 +194 1.965231E+000 +195 6.009293E-003 +196 9.063090E+002 +197 1.725541E+002 +198 1.990041E+000 +199 3.288572E+000 +200 5.110346E+003 +201 9.074654E+001 +202 3.401210E+001 +203 3.922566E-001 +204 6.482099E-001 +205 8.764038E+002 +206 2.457476E+000 +207 1.890965E-004 +208 2.006192E+001 +209 1.006593E-001 +210 1.207922E-003 +211 3.075320E-001 +212 1.613645E+001 +213 3.611053E+001 +214 2.896786E-003 +215 3.773298E-002 +216 4.453362E+001 +217 6.119523E+001 +218 1.645163E+002 +219 3.130841E+001 +220 9.120553E-001 +221 4.708401E+000 +222 5.188858E-002 +223 1.381578E+001 +224 1.090443E+002 +225 9.013590E+000 +226 1.754263E+001 +227 3.748880E-003 +228 8.478752E-002 +229 2.826250E-002 +230 2.826250E-002 +231 1.153082E+003 +232 2.244178E+003 +233 4.795833E-001 +234 3.615540E+000 +235 1.084662E+001 +236 3.615540E+000 +237 8.405388E+001 +238 1.069777E+002 +239 8.311535E+002 +240 1.137726E+003 +241 1.404996E-001 +242 1.521861E+001 +243 2.834655E+001 +244 1.606304E+002 +245 5.810618E+002 +246 1.241735E-001 +247 1.566453E+000 +248 4.699358E+000 +249 1.566453E+000 +250 3.331433E+001 +251 3.104290E+001 +252 1.135716E+001 +253 3.476566E+002 +254 4.509319E+002 +255 5.568631E-002 +256 4.222274E+000 +257 1.809546E+000 +258 3.876617E-001 +259 1.059609E+000 +260 1.137141E+000 +261 1.124444E+001 +262 1.539197E+001 +263 1.900779E-003 +264 1.441218E-001 +265 6.176648E-002 +266 7.219113E-003 +267 3.885422E-001 +268 3.787928E-001 +269 6.339015E-001 +270 1.802983E+001 +271 1.184303E-003 +272 8.677045E-004 +273 1.073552E-002 +274 2.314914E-002 +275 8.260714E-007 +276 7.755267E-002 +277 7.294143E+001 +278 4.401708E+002 +279 1.390133E+000 +280 8.412228E-001 +281 2.257834E+003 +282 9.888237E-001 +283 2.599936E-003 +284 8.021419E-004 +285 1.567347E+002 +286 1.042454E+001 +287 7.774316E+000 +288 1.268747E-001 +289 7.677671E-002 +290 1.260869E+001 +291 1.879581E+002 +292 6.144273E+002 +293 8.675603E+000 +294 2.033550E+001 +295 1.000545E-001 +296 1.653415E-001 +297 1.013344E-001 +298 9.459053E-004 +299 7.294366E-001 +300 3.367698E-005 +301 5.533594E+000 +302 3.338611E+000 +303 5.152672E-002 +304 3.978959E-001 +305 1.802412E+001 +306 1.702949E-014 +307 9.250424E-003 +308 6.682442E-002 +309 8.664793E-004 +310 2.845415E-003 +311 2.006903E-001 +312 3.514765E+001 +313 9.607023E+001 +314 1.030998E+002 +315 1.019486E+003 +316 1.395525E+003 +317 1.723356E-001 +318 5.600106E+000 +319 1.306691E+001 +320 1.092090E+001 +321 1.224059E-001 +322 3.104269E+001 +323 2.887448E+002 +324 1.473143E+002 diff --git a/travis/tests/short_ext2/output/lossRates.output.cmp b/travis/tests/short_ext2/output/lossRates.output.cmp index 1e80dc1e8..c9d1c308f 100644 --- a/travis/tests/short_ext2/output/lossRates.output.cmp +++ b/travis/tests/short_ext2/output/lossRates.output.cmp @@ -1,124 +1,124 @@ time speciesNumber speciesName reactionNumber rate - 4.380000E+004 8 OH 16 2.898187E+007 OH+O3=HO2 - 4.380000E+004 8 OH 17 6.759150E-001 OH+H2=HO2 - 4.380000E+004 8 OH 18 3.742862E+002 OH+CO=HO2 - 4.380000E+004 8 OH 19 3.241888E+004 OH+H2O2=HO2 - 4.380000E+004 8 OH 21 2.836014E+006 OH+HO2= - 4.380000E+004 8 OH 24 2.367309E+007 OH+NO=HONO - 4.380000E+004 8 OH 25 2.262067E+006 OH+NO2=HNO3 - 4.380000E+004 8 OH 26 2.770184E+004 OH+NO3=HO2+NO2 - 4.380000E+004 8 OH 29 1.890521E+003 OH+HO2NO2=NO2 - 4.380000E+004 8 OH 31 1.042715E+005 OH+HONO=NO2 - 4.380000E+004 8 OH 32 1.534689E+004 OH+HNO3=NO3 + 4.380000E+004 8 OH 16 2.897588E+007 OH+O3=HO2 + 4.380000E+004 8 OH 17 6.771205E-001 OH+H2=HO2 + 4.380000E+004 8 OH 18 3.749714E+002 OH+CO=HO2 + 4.380000E+004 8 OH 19 3.245241E+004 OH+H2O2=HO2 + 4.380000E+004 8 OH 21 2.836332E+006 OH+HO2= + 4.380000E+004 8 OH 24 2.366701E+007 OH+NO=HONO + 4.380000E+004 8 OH 25 2.261392E+006 OH+NO2=HNO3 + 4.380000E+004 8 OH 26 2.769123E+004 OH+NO3=HO2+NO2 + 4.380000E+004 8 OH 29 1.890451E+003 OH+HO2NO2=NO2 + 4.380000E+004 8 OH 31 1.042983E+005 OH+HONO=NO2 + 4.380000E+004 8 OH 32 1.535787E+004 OH+HNO3=NO3 4.380000E+004 8 OH 34 0.000000E+000 OH+SO2=HSO3 - 4.380000E+004 8 OH 49 1.113794E+007 CH3OH+OH=HO2+HCHO - 4.380000E+004 8 OH 50 1.115009E+007 C2H5OH+OH=C2H5O - 4.380000E+004 8 OH 51 1.136882E+007 C2H5OH+OH=CH3CHO+HO2 - 4.380000E+004 8 OH 52 1.138098E+007 C2H5OH+OH=HOCH2CH2O2 - 4.380000E+004 8 OH 53 1.152350E+007 BUT2OL+OH=BUT2OLO2 - 4.380000E+004 8 OH 54 1.177577E+007 BUT2OL+OH=MEK+HO2 - 4.380000E+004 8 OH 58 7.436974E+004 OH+HCHO=HO2+CO - 4.380000E+004 8 OH 62 2.013918E+005 OH+CH3CHO=CH3CO3 - 4.380000E+004 8 OH 63 2.119550E+005 OH+CH3CHO=HCOCH2O2 - 4.380000E+004 8 OH 78 1.205972E+007 MEK+OH=MEKAO2 - 4.380000E+004 8 OH 79 1.206578E+007 MEK+OH=MEKBO2 - 4.380000E+004 8 OH 80 1.206681E+007 MEK+OH=MEKCO2 - 4.380000E+004 8 OH 105 1.206709E+007 HYETHO2H+OH=HOCH2CH2O2 - 4.380000E+004 8 OH 106 1.206816E+007 HYETHO2H+OH=HOCH2CHO+OH - 4.380000E+004 8 OH 108 1.206816E+007 ETHOHNO3+OH=HOCH2CHO+NO2 - 4.380000E+004 8 OH 111 1.206816E+007 ETHGLY+OH=HOCH2CHO+HO2 - 4.380000E+004 8 OH 113 1.206831E+007 HOCH2CHO+OH=GLYOX+HO2 - 4.380000E+004 8 OH 114 1.206892E+007 HOCH2CHO+OH=HOCH2CO3 - 4.380000E+004 8 OH 116 1.209486E+007 BUT2OLOOH+OH=BUT2OLO+OH - 4.380000E+004 8 OH 117 1.209807E+007 BUT2OLOOH+OH=BUT2OLO2 - 4.380000E+004 8 OH 120 1.209840E+007 BUT2OLNO3+OH=BUT2OLO+NO2 - 4.380000E+004 8 OH 121 1.210142E+007 BUT2OLO+OH=BIACET+HO2 - 4.380000E+004 8 OH 123 1.210144E+007 BUT2OLOH+OH=BUT2OLO+HO2 - 4.380000E+004 8 OH 151 9.523355E+002 OH+CH3OOH=CH3O2 - 4.380000E+004 8 OH 152 1.580061E+003 OH+CH3OOH=HCHO+OH - 4.380000E+004 8 OH 154 4.396392E-002 OH+CH3NO3=HCHO+NO2 - 4.380000E+004 8 OH 157 1.210305E+007 CH3CO2H+OH=CH3O2 - 4.380000E+004 8 OH 158 1.210346E+007 CH3CO3H+OH=CH3CO3 - 4.380000E+004 8 OH 160 1.210353E+007 PAN+OH=HCHO+CO+NO2 - 4.380000E+004 8 OH 162 1.210421E+007 HCOCH2OOH+OH=GLYOX+OH - 4.380000E+004 8 OH 163 1.210429E+007 HCOCH2OOH+OH=HCOCH2O2 - 4.380000E+004 8 OH 171 1.131523E+002 OH+GLYOX=HCOCO - 4.380000E+004 8 OH 181 1.720445E+002 OH+BIACET=BIACETO2 - 4.380000E+004 8 OH 182 1.210518E+007 MEKAOOH+OH=CO2C3CHO+OH - 4.380000E+004 8 OH 183 1.210524E+007 MEKAOOH+OH=MEKAO2 - 4.380000E+004 8 OH 186 1.210524E+007 MEKANO3+OH=CO2C3CHO+NO2 - 4.380000E+004 8 OH 192 1.210630E+007 CO2C3CHO+OH=CO2C3CO3 - 4.380000E+004 8 OH 194 1.210630E+007 MEKAOH+OH=CO2C3CHO+HO2 - 4.380000E+004 8 OH 196 1.210670E+007 MEKBOOH+OH=BIACET+OH - 4.380000E+004 8 OH 197 1.210678E+007 MEKBOOH+OH=MEKBO2 - 4.380000E+004 8 OH 201 1.210682E+007 MEKCOOH+OH=EGLYOX+OH - 4.380000E+004 8 OH 202 1.210683E+007 MEKCOOH+OH=MEKCO2 - 4.380000E+004 8 OH 208 6.614714E+000 OH+EGLYOX=C2H5CO3+CO - 4.380000E+004 8 OH 209 1.210684E+007 MEKCOH+OH=EGLYOX+HO2 - 4.380000E+004 8 OH 212 6.681940E+000 OH+C2H5OOH=C2H5O2 - 4.380000E+004 8 OH 213 2.135463E+001 OH+C2H5OOH=CH3CHO+OH - 4.380000E+004 8 OH 215 1.802809E-002 OH+C2H5NO3=CH3CHO+NO2 - 4.380000E+004 8 OH 220 1.210686E+007 HOCH2CO2H+OH=HCHO+HO2 - 4.380000E+004 8 OH 221 1.210686E+007 HOCH2CO3H+OH=HOCH2CO3 - 4.380000E+004 8 OH 223 1.210687E+007 PHAN+OH=HCHO+CO+NO2 - 4.380000E+004 8 OH 268 1.247484E-001 OH+BIACETOOH=BIACETO2 - 4.380000E+004 8 OH 269 2.267654E-001 OH+BIACETOOH=CO23C3CHO+OH - 4.380000E+004 8 OH 272 2.654395E-004 OH+BIACETOH=CO23C3CHO+HO2 - 4.380000E+004 8 OH 276 1.208508E-002 OH+CO23C3CHO=CH3CO3+CO+CO - 4.380000E+004 8 OH 277 1.210690E+007 HOCO3C4OOH+OH=HO1CO3C4O2 - 4.380000E+004 8 OH 278 1.210709E+007 HOCO3C4OOH+OH=HO1CO3CHO+OH - 4.380000E+004 8 OH 282 1.210709E+007 HO14CO2C4+OH=HO1CO3CHO+HO2 - 4.380000E+004 8 OH 285 1.210714E+007 HO1CO3CHO+OH=HOC2H4CO3+CO - 4.380000E+004 8 OH 287 1.210714E+007 CO2C3CO3H+OH=CO2C3CO3 - 4.380000E+004 8 OH 290 1.210715E+007 CO2C3PAN+OH=MGLYOX+CO+NO2 - 4.380000E+004 8 OH 293 1.210715E+007 HYPERACET+OH=CH3COCH2O2 - 4.380000E+004 8 OH 294 1.210715E+007 HYPERACET+OH=MGLYOX+OH - 4.380000E+004 8 OH 297 1.210715E+007 ACETOL+OH=MGLYOX+HO2 - 4.380000E+004 8 OH 301 1.162414E+000 OH+MGLYOX=CH3CO3+CO - 4.380000E+004 8 OH 302 1.210716E+007 PERPROACID+OH=C2H5CO3 - 4.380000E+004 8 OH 304 1.210716E+007 PROPACID+OH=C2H5O2 - 4.380000E+004 8 OH 305 1.210717E+007 PPN+OH=CH3CHO+CO+NO2 - 4.380000E+004 8 OH 308 1.364025E-002 OH+HCOCO2H=CO+HO2 - 4.380000E+004 8 OH 311 3.775852E-002 OH+HCOCO3H=HCOCO3 - 4.380000E+004 8 OH 320 4.147342E+000 OH+HOC2H4CO2H=HOCH2CH2O2 - 4.380000E+004 8 OH 322 1.229637E+001 OH+HOC2H4CO3H=HOC2H4CO3 - 4.380000E+004 8 OH 324 1.984713E+002 OH+C3PAN1=HOCH2CHO+CO+NO2 - 4.380000E+004 9 HO2 20 2.969231E+007 HO2+O3=OH - 4.380000E+004 9 HO2 21 2.836014E+006 OH+HO2= - 4.380000E+004 9 HO2 22 3.522274E+006 HO2+HO2=H2O2 - 4.380000E+004 9 HO2 22 3.522274E+006 HO2+HO2=H2O2 - 4.380000E+004 9 HO2 23 4.036710E+006 HO2+HO2=H2O2 - 4.380000E+004 9 HO2 23 4.036710E+006 HO2+HO2=H2O2 - 4.380000E+004 9 HO2 27 2.633298E+007 HO2+NO=OH+NO2 - 4.380000E+004 9 HO2 28 2.965577E+006 HO2+NO2=HO2NO2 - 4.380000E+004 9 HO2 30 2.866437E+004 HO2+NO3=OH+NO2 - 4.380000E+004 9 HO2 64 7.404394E+006 HOCH2CH2O2+HO2=HYETHO2H - 4.380000E+004 9 HO2 71 7.447636E+006 BUT2OLO2+HO2=BUT2OLOOH - 4.380000E+004 9 HO2 82 7.458486E+006 CH3O2+HO2=CH3OOH - 4.380000E+004 9 HO2 83 7.459527E+006 CH3O2+HO2=HCHO - 4.380000E+004 9 HO2 91 7.461909E+006 CH3CO3+HO2=CH3CO2H+O3 - 4.380000E+004 9 HO2 92 7.468420E+006 CH3CO3+HO2=CH3CO3H - 4.380000E+004 9 HO2 93 7.475408E+006 CH3CO3+HO2=CH3O2+OH - 4.380000E+004 9 HO2 99 7.477312E+006 HCOCH2O2+HO2=HCOCH2OOH - 4.380000E+004 9 HO2 124 7.478875E+006 MEKAO2+HO2=MEKAOOH - 4.380000E+004 9 HO2 131 7.480455E+006 MEKBO2+HO2=MEKBOOH - 4.380000E+004 9 HO2 137 7.480725E+006 MEKCO2+HO2=MEKCOOH - 4.380000E+004 9 HO2 143 7.480850E+006 C2H5O2+HO2=C2H5OOH - 4.380000E+004 9 HO2 172 7.480870E+006 HOCH2CO3+HO2=HO2+HCHO+OH - 4.380000E+004 9 HO2 173 7.480877E+006 HOCH2CO3+HO2=HOCH2CO2H+O3 - 4.380000E+004 9 HO2 174 7.480896E+006 HOCH2CO3+HO2=HOCH2CO3H - 4.380000E+004 9 HO2 225 7.480898E+006 BIACETO2+HO2=BIACETOOH - 4.380000E+004 9 HO2 231 7.481604E+006 HO1CO3C4O2+HO2=HOCO3C4OOH - 4.380000E+004 9 HO2 237 7.481637E+006 CO2C3CO3+HO2=CH3COCH2O2+OH - 4.380000E+004 9 HO2 238 7.481680E+006 CO2C3CO3+HO2=CO2C3CO3H - 4.380000E+004 9 HO2 243 7.481691E+006 CH3COCH2O2+HO2=CH3COCH2O+OH - 4.380000E+004 9 HO2 244 7.481751E+006 CH3COCH2O2+HO2=HYPERACET - 4.380000E+004 9 HO2 250 7.481771E+006 C2H5CO3+HO2=C2H5O2+OH - 4.380000E+004 9 HO2 251 7.481790E+006 C2H5CO3+HO2=PERPROACID - 4.380000E+004 9 HO2 252 7.481797E+006 C2H5CO3+HO2=PROPACID+O3 - 4.380000E+004 9 HO2 258 7.481797E+006 HCOCO3+HO2=HCOCO2H+O3 - 4.380000E+004 9 HO2 259 7.481797E+006 HCOCO3+HO2=HCOCO3H - 4.380000E+004 9 HO2 260 7.481797E+006 HCOCO3+HO2=HO2+CO+OH - 4.380000E+004 9 HO2 312 7.481817E+006 HOC2H4CO3+HO2=HOC2H4CO2H+O3 - 4.380000E+004 9 HO2 313 7.481872E+006 HOC2H4CO3+HO2=HOC2H4CO3H - 4.380000E+004 9 HO2 314 7.481930E+006 HOC2H4CO3+HO2=HOCH2CH2O2+OH + 4.380000E+004 8 OH 49 1.113738E+007 CH3OH+OH=HO2+HCHO + 4.380000E+004 8 OH 50 1.114953E+007 C2H5OH+OH=C2H5O + 4.380000E+004 8 OH 51 1.136824E+007 C2H5OH+OH=CH3CHO+HO2 + 4.380000E+004 8 OH 52 1.138039E+007 C2H5OH+OH=HOCH2CH2O2 + 4.380000E+004 8 OH 53 1.152287E+007 BUT2OL+OH=BUT2OLO2 + 4.380000E+004 8 OH 54 1.177506E+007 BUT2OL+OH=MEK+HO2 + 4.380000E+004 8 OH 58 7.443561E+004 OH+HCHO=HO2+CO + 4.380000E+004 8 OH 62 2.014993E+005 OH+CH3CHO=CH3CO3 + 4.380000E+004 8 OH 63 2.120681E+005 OH+CH3CHO=HCOCH2O2 + 4.380000E+004 8 OH 78 1.205918E+007 MEK+OH=MEKAO2 + 4.380000E+004 8 OH 79 1.206525E+007 MEK+OH=MEKBO2 + 4.380000E+004 8 OH 80 1.206628E+007 MEK+OH=MEKCO2 + 4.380000E+004 8 OH 105 1.206656E+007 HYETHO2H+OH=HOCH2CH2O2 + 4.380000E+004 8 OH 106 1.206763E+007 HYETHO2H+OH=HOCH2CHO+OH + 4.380000E+004 8 OH 108 1.206763E+007 ETHOHNO3+OH=HOCH2CHO+NO2 + 4.380000E+004 8 OH 111 1.206763E+007 ETHGLY+OH=HOCH2CHO+HO2 + 4.380000E+004 8 OH 113 1.206779E+007 HOCH2CHO+OH=GLYOX+HO2 + 4.380000E+004 8 OH 114 1.206839E+007 HOCH2CHO+OH=HOCH2CO3 + 4.380000E+004 8 OH 116 1.209434E+007 BUT2OLOOH+OH=BUT2OLO+OH + 4.380000E+004 8 OH 117 1.209756E+007 BUT2OLOOH+OH=BUT2OLO2 + 4.380000E+004 8 OH 120 1.209789E+007 BUT2OLNO3+OH=BUT2OLO+NO2 + 4.380000E+004 8 OH 121 1.210092E+007 BUT2OLO+OH=BIACET+HO2 + 4.380000E+004 8 OH 123 1.210093E+007 BUT2OLOH+OH=BUT2OLO+HO2 + 4.380000E+004 8 OH 151 9.543757E+002 OH+CH3OOH=CH3O2 + 4.380000E+004 8 OH 152 1.583446E+003 OH+CH3OOH=HCHO+OH + 4.380000E+004 8 OH 154 4.404886E-002 OH+CH3NO3=HCHO+NO2 + 4.380000E+004 8 OH 157 1.210254E+007 CH3CO2H+OH=CH3O2 + 4.380000E+004 8 OH 158 1.210296E+007 CH3CO3H+OH=CH3CO3 + 4.380000E+004 8 OH 160 1.210302E+007 PAN+OH=HCHO+CO+NO2 + 4.380000E+004 8 OH 162 1.210371E+007 HCOCH2OOH+OH=GLYOX+OH + 4.380000E+004 8 OH 163 1.210379E+007 HCOCH2OOH+OH=HCOCH2O2 + 4.380000E+004 8 OH 171 1.134391E+002 OH+GLYOX=HCOCO + 4.380000E+004 8 OH 181 1.725116E+002 OH+BIACET=BIACETO2 + 4.380000E+004 8 OH 182 1.210468E+007 MEKAOOH+OH=CO2C3CHO+OH + 4.380000E+004 8 OH 183 1.210474E+007 MEKAOOH+OH=MEKAO2 + 4.380000E+004 8 OH 186 1.210474E+007 MEKANO3+OH=CO2C3CHO+NO2 + 4.380000E+004 8 OH 192 1.210580E+007 CO2C3CHO+OH=CO2C3CO3 + 4.380000E+004 8 OH 194 1.210580E+007 MEKAOH+OH=CO2C3CHO+HO2 + 4.380000E+004 8 OH 196 1.210621E+007 MEKBOOH+OH=BIACET+OH + 4.380000E+004 8 OH 197 1.210628E+007 MEKBOOH+OH=MEKBO2 + 4.380000E+004 8 OH 201 1.210632E+007 MEKCOOH+OH=EGLYOX+OH + 4.380000E+004 8 OH 202 1.210634E+007 MEKCOOH+OH=MEKCO2 + 4.380000E+004 8 OH 208 6.633288E+000 OH+EGLYOX=C2H5CO3+CO + 4.380000E+004 8 OH 209 1.210634E+007 MEKCOH+OH=EGLYOX+HO2 + 4.380000E+004 8 OH 212 6.695656E+000 OH+C2H5OOH=C2H5O2 + 4.380000E+004 8 OH 213 2.139846E+001 OH+C2H5OOH=CH3CHO+OH + 4.380000E+004 8 OH 215 1.806121E-002 OH+C2H5NO3=CH3CHO+NO2 + 4.380000E+004 8 OH 220 1.210636E+007 HOCH2CO2H+OH=HCHO+HO2 + 4.380000E+004 8 OH 221 1.210637E+007 HOCH2CO3H+OH=HOCH2CO3 + 4.380000E+004 8 OH 223 1.210637E+007 PHAN+OH=HCHO+CO+NO2 + 4.380000E+004 8 OH 268 1.252930E-001 OH+BIACETOOH=BIACETO2 + 4.380000E+004 8 OH 269 2.277551E-001 OH+BIACETOOH=CO23C3CHO+OH + 4.380000E+004 8 OH 272 2.667392E-004 OH+BIACETOH=CO23C3CHO+HO2 + 4.380000E+004 8 OH 276 1.214597E-002 OH+CO23C3CHO=CH3CO3+CO+CO + 4.380000E+004 8 OH 277 1.210640E+007 HOCO3C4OOH+OH=HO1CO3C4O2 + 4.380000E+004 8 OH 278 1.210660E+007 HOCO3C4OOH+OH=HO1CO3CHO+OH + 4.380000E+004 8 OH 282 1.210660E+007 HO14CO2C4+OH=HO1CO3CHO+HO2 + 4.380000E+004 8 OH 285 1.210664E+007 HO1CO3CHO+OH=HOC2H4CO3+CO + 4.380000E+004 8 OH 287 1.210665E+007 CO2C3CO3H+OH=CO2C3CO3 + 4.380000E+004 8 OH 290 1.210665E+007 CO2C3PAN+OH=MGLYOX+CO+NO2 + 4.380000E+004 8 OH 293 1.210665E+007 HYPERACET+OH=CH3COCH2O2 + 4.380000E+004 8 OH 294 1.210666E+007 HYPERACET+OH=MGLYOX+OH + 4.380000E+004 8 OH 297 1.210666E+007 ACETOL+OH=MGLYOX+HO2 + 4.380000E+004 8 OH 301 1.167026E+000 OH+MGLYOX=CH3CO3+CO + 4.380000E+004 8 OH 302 1.210666E+007 PERPROACID+OH=C2H5CO3 + 4.380000E+004 8 OH 304 1.210666E+007 PROPACID+OH=C2H5O2 + 4.380000E+004 8 OH 305 1.210667E+007 PPN+OH=CH3CHO+CO+NO2 + 4.380000E+004 8 OH 308 1.369578E-002 OH+HCOCO2H=CO+HO2 + 4.380000E+004 8 OH 311 3.790967E-002 OH+HCOCO3H=HCOCO3 + 4.380000E+004 8 OH 320 4.157175E+000 OH+HOC2H4CO2H=HOCH2CH2O2 + 4.380000E+004 8 OH 322 1.232449E+001 OH+HOC2H4CO3H=HOC2H4CO3 + 4.380000E+004 8 OH 324 1.988213E+002 OH+C3PAN1=HOCH2CHO+CO+NO2 + 4.380000E+004 9 HO2 20 2.968640E+007 HO2+O3=OH + 4.380000E+004 9 HO2 21 2.836332E+006 OH+HO2= + 4.380000E+004 9 HO2 22 3.522753E+006 HO2+HO2=H2O2 + 4.380000E+004 9 HO2 22 3.522753E+006 HO2+HO2=H2O2 + 4.380000E+004 9 HO2 23 4.037309E+006 HO2+HO2=H2O2 + 4.380000E+004 9 HO2 23 4.037309E+006 HO2+HO2=H2O2 + 4.380000E+004 9 HO2 27 2.632653E+007 HO2+NO=OH+NO2 + 4.380000E+004 9 HO2 28 2.964778E+006 HO2+NO2=HO2NO2 + 4.380000E+004 9 HO2 30 2.865375E+004 HO2+NO3=OH+NO2 + 4.380000E+004 9 HO2 64 7.404509E+006 HOCH2CH2O2+HO2=HYETHO2H + 4.380000E+004 9 HO2 71 7.447754E+006 BUT2OLO2+HO2=BUT2OLOOH + 4.380000E+004 9 HO2 82 7.458617E+006 CH3O2+HO2=CH3OOH + 4.380000E+004 9 HO2 83 7.459660E+006 CH3O2+HO2=HCHO + 4.380000E+004 9 HO2 91 7.462045E+006 CH3CO3+HO2=CH3CO2H+O3 + 4.380000E+004 9 HO2 92 7.468566E+006 CH3CO3+HO2=CH3CO3H + 4.380000E+004 9 HO2 93 7.475564E+006 CH3CO3+HO2=CH3O2+OH + 4.380000E+004 9 HO2 99 7.477471E+006 HCOCH2O2+HO2=HCOCH2OOH + 4.380000E+004 9 HO2 124 7.479036E+006 MEKAO2+HO2=MEKAOOH + 4.380000E+004 9 HO2 131 7.480618E+006 MEKBO2+HO2=MEKBOOH + 4.380000E+004 9 HO2 137 7.480888E+006 MEKCO2+HO2=MEKCOOH + 4.380000E+004 9 HO2 143 7.481013E+006 C2H5O2+HO2=C2H5OOH + 4.380000E+004 9 HO2 172 7.481034E+006 HOCH2CO3+HO2=HO2+HCHO+OH + 4.380000E+004 9 HO2 173 7.481040E+006 HOCH2CO3+HO2=HOCH2CO2H+O3 + 4.380000E+004 9 HO2 174 7.481059E+006 HOCH2CO3+HO2=HOCH2CO3H + 4.380000E+004 9 HO2 225 7.481061E+006 BIACETO2+HO2=BIACETOOH + 4.380000E+004 9 HO2 231 7.481768E+006 HO1CO3C4O2+HO2=HOCO3C4OOH + 4.380000E+004 9 HO2 237 7.481802E+006 CO2C3CO3+HO2=CH3COCH2O2+OH + 4.380000E+004 9 HO2 238 7.481845E+006 CO2C3CO3+HO2=CO2C3CO3H + 4.380000E+004 9 HO2 243 7.481855E+006 CH3COCH2O2+HO2=CH3COCH2O+OH + 4.380000E+004 9 HO2 244 7.481916E+006 CH3COCH2O2+HO2=HYPERACET + 4.380000E+004 9 HO2 250 7.481936E+006 C2H5CO3+HO2=C2H5O2+OH + 4.380000E+004 9 HO2 251 7.481955E+006 C2H5CO3+HO2=PERPROACID + 4.380000E+004 9 HO2 252 7.481962E+006 C2H5CO3+HO2=PROPACID+O3 + 4.380000E+004 9 HO2 258 7.481962E+006 HCOCO3+HO2=HCOCO2H+O3 + 4.380000E+004 9 HO2 259 7.481962E+006 HCOCO3+HO2=HCOCO3H + 4.380000E+004 9 HO2 260 7.481962E+006 HCOCO3+HO2=HO2+CO+OH + 4.380000E+004 9 HO2 312 7.481982E+006 HOC2H4CO3+HO2=HOC2H4CO2H+O3 + 4.380000E+004 9 HO2 313 7.482037E+006 HOC2H4CO3+HO2=HOC2H4CO3H + 4.380000E+004 9 HO2 314 7.482095E+006 HOC2H4CO3+HO2=HOCH2CH2O2+OH diff --git a/travis/tests/short_ext2/output/mainSolverParameters.output.cmp b/travis/tests/short_ext2/output/mainSolverParameters.output.cmp index 5a09fe033..fea79691b 100644 --- a/travis/tests/short_ext2/output/mainSolverParameters.output.cmp +++ b/travis/tests/short_ext2/output/mainSolverParameters.output.cmp @@ -1,4 +1,4 @@ t currentStepSize previousStepSize LENRW LENIW NST NFE NETF NCFN NNI NSETUPS QU QCUR NOR LENRWLS LENIWLS LS_FLAG NFELS NJTV NPE NPS NLI NCFL - 4.35E+04 2.42052200E+001 2.42052200E+001 1129 50 132 156 1 0 155 41 5 5 0 21321 105 0 257 257 3 394 257 0 - 4.38E+04 6.31960522E+001 4.08265673E+001 1129 50 141 166 1 0 165 42 5 5 0 21321 105 0 297 297 3 444 297 0 - 4.41E+04 6.31960522E+001 6.31960522E+001 1129 50 146 172 1 0 171 43 5 5 0 21321 105 0 325 325 3 478 325 0 + 4.35E+04 1.73920007E+001 1.73920007E+001 1129 50 135 159 2 0 158 41 5 5 0 21533 117 0 145 145 3 280 145 0 + 4.38E+04 4.25931903E+001 4.25931903E+001 1129 50 147 171 2 0 170 43 4 4 0 21533 117 0 163 163 3 310 163 0 + 4.41E+04 6.52923464E+001 6.52923464E+001 1129 50 152 176 2 0 175 44 4 4 0 21533 117 0 169 169 3 321 169 0 diff --git a/travis/tests/short_ext2/output/photolysisRates.output.cmp b/travis/tests/short_ext2/output/photolysisRates.output.cmp index b9acd0fdb..f1782bd72 100644 --- a/travis/tests/short_ext2/output/photolysisRates.output.cmp +++ b/travis/tests/short_ext2/output/photolysisRates.output.cmp @@ -1,4 +1,4 @@ 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 - 4.350000E+004 2.169987E-005 4.009915E-004 6.115230E-006 7.808962E-003 2.078372E-002 1.434320E-001 1.718289E-003 4.665239E-007 2.457785E-005 4.040926E-005 3.219441E-006 1.406225E-005 1.491136E-005 8.945747E-006 4.129798E-005 9.201647E-007 9.201647E-007 4.718793E-004 3.851490E-007 2.750235E-006 1.509633E-006 1.509259E-006 5.131727E-005 7.736949E-006 2.182959E-005 1.130981E-004 2.438665E-004 4.538399E-006 7.991428E-007 9.187301E-007 1.222132E-006 2.087773E-006 6.036596E-006 2.217492E-005 4.753925E-004 - 4.380000E+004 2.164206E-005 4.008092E-004 6.107736E-006 7.803775E-003 2.077650E-002 1.433807E-001 1.717062E-003 4.656650E-007 2.454401E-005 4.036845E-005 3.213104E-006 1.403792E-005 1.489043E-005 8.933189E-006 4.124037E-005 9.193534E-007 9.193534E-007 4.714633E-004 3.843080E-007 2.745324E-006 1.508308E-006 1.507934E-006 5.129473E-005 7.733552E-006 2.180375E-005 1.130422E-004 2.437495E-004 4.533049E-006 7.977277E-007 9.169868E-007 1.219892E-006 2.084184E-006 6.027217E-006 2.213713E-005 4.749397E-004 - 4.410000E+004 2.156265E-005 4.005582E-004 6.097425E-006 7.796630E-003 2.076655E-002 1.433101E-001 1.715372E-003 4.644841E-007 2.449745E-005 4.031227E-005 3.204391E-006 1.400446E-005 1.486163E-005 8.915911E-006 4.116111E-005 9.182362E-007 9.182362E-007 4.708904E-004 3.831524E-007 2.738570E-006 1.506483E-006 1.506110E-006 5.126368E-005 7.728871E-006 2.176820E-005 1.129651E-004 2.435883E-004 4.525687E-006 7.957819E-007 9.145902E-007 1.216812E-006 2.079249E-006 6.014318E-006 2.208516E-005 4.743165E-004 + 4.350000E+004 2.170057E-005 4.009937E-004 6.115320E-006 7.809025E-003 2.078381E-002 1.434326E-001 1.718304E-003 4.665342E-007 2.457826E-005 4.040976E-005 3.219518E-006 1.406254E-005 1.491161E-005 8.945899E-006 4.129868E-005 9.201745E-007 9.201745E-007 4.718844E-004 3.851592E-007 2.750295E-006 1.509649E-006 1.509275E-006 5.131754E-005 7.736991E-006 2.182990E-005 1.130988E-004 2.438679E-004 4.538464E-006 7.991599E-007 9.187512E-007 1.222159E-006 2.087817E-006 6.036709E-006 2.217538E-005 4.753979E-004 + 4.380000E+004 2.164194E-005 4.008089E-004 6.107721E-006 7.803765E-003 2.077649E-002 1.433806E-001 1.717060E-003 4.656632E-007 2.454394E-005 4.036837E-005 3.213091E-006 1.403787E-005 1.489038E-005 8.933163E-006 4.124026E-005 9.193517E-007 9.193517E-007 4.714624E-004 3.843063E-007 2.745314E-006 1.508305E-006 1.507932E-006 5.129469E-005 7.733545E-006 2.180370E-005 1.130421E-004 2.437493E-004 4.533038E-006 7.977248E-007 9.169833E-007 1.219888E-006 2.084177E-006 6.027198E-006 2.213705E-005 4.749388E-004 + 4.410000E+004 2.156597E-005 4.005688E-004 6.097857E-006 7.796930E-003 2.076697E-002 1.433131E-001 1.715443E-003 4.645335E-007 2.449940E-005 4.031463E-005 3.204755E-006 1.400587E-005 1.486283E-005 8.916634E-006 4.116443E-005 9.182830E-007 9.182830E-007 4.709144E-004 3.832007E-007 2.738853E-006 1.506560E-006 1.506187E-006 5.126498E-005 7.729067E-006 2.176969E-005 1.129683E-004 2.435950E-004 4.525995E-006 7.958633E-007 9.146905E-007 1.216941E-006 2.079455E-006 6.014858E-006 2.208733E-005 4.743426E-004 diff --git a/travis/tests/short_ext2/output/photolysisRatesParameters.output.cmp b/travis/tests/short_ext2/output/photolysisRatesParameters.output.cmp index 5f51a3c5a..6bd7f378e 100644 --- a/travis/tests/short_ext2/output/photolysisRatesParameters.output.cmp +++ b/travis/tests/short_ext2/output/photolysisRatesParameters.output.cmp @@ -1,4 +1,4 @@ t latitude longitude secx cosx lha sinld cosld eqtime 4.320000E+004 4.920000E+001 -2.100000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 - 4.350000E+004 4.920000E+001 -2.100000E+000 1.275721E+000 7.838707E-001 4.855699E-002 1.429652E-001 6.416618E-001 -1.095879E-002 - 4.380000E+004 4.920000E+001 -2.100000E+000 1.277171E+000 7.829806E-001 7.165170E-002 1.429652E-001 6.416618E-001 -1.095879E-002 + 4.350000E+004 4.920000E+001 -2.100000E+000 1.275703E+000 7.838815E-001 4.821042E-002 1.429652E-001 6.416618E-001 -1.095879E-002 + 4.380000E+004 4.920000E+001 -2.100000E+000 1.277174E+000 7.829788E-001 7.169102E-002 1.429652E-001 6.416618E-001 -1.095879E-002 diff --git a/travis/tests/short_ext2/output/productionRates.output.cmp b/travis/tests/short_ext2/output/productionRates.output.cmp index 5362afd2c..2c516204d 100644 --- a/travis/tests/short_ext2/output/productionRates.output.cmp +++ b/travis/tests/short_ext2/output/productionRates.output.cmp @@ -1,116 +1,116 @@ time speciesNumber speciesName reactionNumber rate - 4.380000E+004 8 OH 15 8.240901E+006 O1D=OH+OH - 4.380000E+004 8 OH 15 8.240901E+006 O1D=OH+OH - 4.380000E+004 8 OH 20 7.104474E+005 HO2+O3=OH - 4.380000E+004 8 OH 27 5.319769E+006 HO2+NO=OH+NO2 - 4.380000E+004 8 OH 30 1.925061E+003 HO2+NO3=OH+NO2 - 4.380000E+004 8 OH 41 3.511368E+003 H2O2=OH+OH - 4.380000E+004 8 OH 41 3.511368E+003 H2O2=OH+OH - 4.380000E+004 8 OH 45 9.082290E+005 HONO=OH+NO - 4.380000E+004 8 OH 46 1.426152E+003 HNO3=OH+NO2 - 4.380000E+004 8 OH 93 1.397512E+004 CH3CO3+HO2=CH3O2+OH - 4.380000E+004 8 OH 106 2.133463E+003 HYETHO2H+OH=HOCH2CHO+OH - 4.380000E+004 8 OH 107 1.057155E+001 HYETHO2H=HOCH2CH2O+OH - 4.380000E+004 8 OH 116 5.187138E+004 BUT2OLOOH+OH=BUT2OLO+OH - 4.380000E+004 8 OH 118 1.227334E+002 BUT2OLOOH=BUT2OLAO+OH - 4.380000E+004 8 OH 150 2.149529E+001 CH3OOH=CH3O+OH - 4.380000E+004 8 OH 152 1.255450E+003 OH+CH3OOH=HCHO+OH - 4.380000E+004 8 OH 159 1.532526E+001 CH3CO3H=CH3O2+OH - 4.380000E+004 8 OH 162 1.363572E+003 HCOCH2OOH+OH=GLYOX+OH - 4.380000E+004 8 OH 164 3.204187E+000 HCOCH2OOH=HCOCH2O+OH - 4.380000E+004 8 OH 165 2.105061E+001 HCOCH2OOH=HO2+CO+HCHO+OH - 4.380000E+004 8 OH 172 6.011396E+001 HOCH2CO3+HO2=HO2+HCHO+OH - 4.380000E+004 8 OH 182 1.556827E+003 MEKAOOH+OH=CO2C3CHO+OH - 4.380000E+004 8 OH 184 2.181491E+000 MEKAOOH=MEKAO+OH - 4.380000E+004 8 OH 185 1.321163E+000 MEKAOOH=MEKAO+OH - 4.380000E+004 8 OH 196 8.041893E+002 MEKBOOH+OH=BIACET+OH - 4.380000E+004 8 OH 198 2.657220E+000 MEKBOOH=CH3CO3+CH3CHO+OH - 4.380000E+004 8 OH 199 2.925049E+000 MEKBOOH=MEKBO+OH - 4.380000E+004 8 OH 201 7.705074E+001 MEKCOOH+OH=EGLYOX+OH - 4.380000E+004 8 OH 203 5.011879E-001 MEKCOOH=C2H5CO3+HCHO+OH - 4.380000E+004 8 OH 204 5.517040E-001 MEKCOOH=MEKCO+OH - 4.380000E+004 8 OH 211 2.505186E-001 C2H5OOH=C2H5O+OH - 4.380000E+004 8 OH 213 2.934538E+001 OH+C2H5OOH=CH3CHO+OH - 4.380000E+004 8 OH 218 1.095917E+002 HCOCO=CO+OH - 4.380000E+004 8 OH 222 5.479897E-002 HOCH2CO3H=HCHO+HO2+OH - 4.380000E+004 8 OH 237 6.723126E+001 CO2C3CO3+HO2=CH3COCH2O2+OH - 4.380000E+004 8 OH 243 2.141286E+001 CH3COCH2O2+HO2=CH3COCH2O+OH - 4.380000E+004 8 OH 250 3.989880E+001 C2H5CO3+HO2=C2H5O2+OH - 4.380000E+004 8 OH 260 9.144150E-001 HCOCO3+HO2=HO2+CO+OH - 4.380000E+004 8 OH 266 2.329209E-003 BIACETOOH=BIACETO+OH - 4.380000E+004 8 OH 267 1.252454E-001 BIACETOOH=BIACETO+OH - 4.380000E+004 8 OH 269 2.040340E-001 OH+BIACETOOH=CO23C3CHO+OH - 4.380000E+004 8 OH 278 3.847739E+002 HOCO3C4OOH+OH=HO1CO3CHO+OH - 4.380000E+004 8 OH 279 1.218105E+000 HOCO3C4OOH=HO1CO3C4O+OH - 4.380000E+004 8 OH 280 7.377136E-001 HOCO3C4OOH=HO1CO3C4O+OH - 4.380000E+004 8 OH 288 6.707553E-002 CO2C3CO3H=CH3COCH2O2+OH - 4.380000E+004 8 OH 289 4.062256E-002 CO2C3CO3H=CH3COCH2O2+OH - 4.380000E+004 8 OH 294 1.017363E+001 HYPERACET+OH=MGLYOX+OH - 4.380000E+004 8 OH 295 7.532533E-002 HYPERACET=CH3CO3+HCHO+OH - 4.380000E+004 8 OH 296 8.291758E-002 HYPERACET=CH3COCH2O+OH - 4.380000E+004 8 OH 303 4.127147E-002 PERPROACID=C2H5O2+OH - 4.380000E+004 8 OH 309 4.813177E-004 HCOCO3H=HO2+CO+OH - 4.380000E+004 8 OH 310 1.581061E-003 HCOCO3H=HO2+CO+OH - 4.380000E+004 8 OH 314 1.166621E+002 HOC2H4CO3+HO2=HOCH2CH2O2+OH - 4.380000E+004 8 OH 321 9.682343E-002 HOC2H4CO3H=HOCH2CH2O2+OH - 4.380000E+004 9 HO2 16 5.875830E+006 OH+O3=HO2 - 4.380000E+004 9 HO2 17 6.759150E-001 OH+H2=HO2 - 4.380000E+004 9 HO2 18 3.742862E+002 OH+CO=HO2 - 4.380000E+004 9 HO2 19 3.241888E+004 OH+H2O2=HO2 - 4.380000E+004 9 HO2 26 2.197903E+003 OH+NO3=HO2+NO2 + 4.380000E+004 8 OH 15 8.240826E+006 O1D=OH+OH + 4.380000E+004 8 OH 15 8.240826E+006 O1D=OH+OH + 4.380000E+004 8 OH 20 7.105279E+005 HO2+O3=OH + 4.380000E+004 8 OH 27 5.319045E+006 HO2+NO=OH+NO2 + 4.380000E+004 8 OH 30 1.925026E+003 HO2+NO3=OH+NO2 + 4.380000E+004 8 OH 41 3.515009E+003 H2O2=OH+OH + 4.380000E+004 8 OH 41 3.515009E+003 H2O2=OH+OH + 4.380000E+004 8 OH 45 9.084661E+005 HONO=OH+NO + 4.380000E+004 8 OH 46 1.427174E+003 HNO3=OH+NO2 + 4.380000E+004 8 OH 93 1.399610E+004 CH3CO3+HO2=CH3O2+OH + 4.380000E+004 8 OH 106 2.135314E+003 HYETHO2H+OH=HOCH2CHO+OH + 4.380000E+004 8 OH 107 1.058076E+001 HYETHO2H=HOCH2CH2O+OH + 4.380000E+004 8 OH 116 5.189623E+004 BUT2OLOOH+OH=BUT2OLO+OH + 4.380000E+004 8 OH 118 1.227925E+002 BUT2OLOOH=BUT2OLAO+OH + 4.380000E+004 8 OH 150 2.154140E+001 CH3OOH=CH3O+OH + 4.380000E+004 8 OH 152 1.258140E+003 OH+CH3OOH=HCHO+OH + 4.380000E+004 8 OH 159 1.535607E+001 CH3CO3H=CH3O2+OH + 4.380000E+004 8 OH 162 1.365991E+003 HCOCH2OOH+OH=GLYOX+OH + 4.380000E+004 8 OH 164 3.209879E+000 HCOCH2OOH=HCOCH2O+OH + 4.380000E+004 8 OH 165 2.108799E+001 HCOCH2OOH=HO2+CO+HCHO+OH + 4.380000E+004 8 OH 172 6.023231E+001 HOCH2CO3+HO2=HO2+HCHO+OH + 4.380000E+004 8 OH 182 1.559465E+003 MEKAOOH+OH=CO2C3CHO+OH + 4.380000E+004 8 OH 184 2.185192E+000 MEKAOOH=MEKAO+OH + 4.380000E+004 8 OH 185 1.323404E+000 MEKAOOH=MEKAO+OH + 4.380000E+004 8 OH 196 8.057104E+002 MEKBOOH+OH=BIACET+OH + 4.380000E+004 8 OH 198 2.662251E+000 MEKBOOH=CH3CO3+CH3CHO+OH + 4.380000E+004 8 OH 199 2.930590E+000 MEKBOOH=MEKBO+OH + 4.380000E+004 8 OH 201 7.720280E+001 MEKCOOH+OH=EGLYOX+OH + 4.380000E+004 8 OH 203 5.021778E-001 MEKCOOH=C2H5CO3+HCHO+OH + 4.380000E+004 8 OH 204 5.527944E-001 MEKCOOH=MEKCO+OH + 4.380000E+004 8 OH 211 2.510335E-001 C2H5OOH=C2H5O+OH + 4.380000E+004 8 OH 213 2.940562E+001 OH+C2H5OOH=CH3CHO+OH + 4.380000E+004 8 OH 218 1.098817E+002 HCOCO=CO+OH + 4.380000E+004 8 OH 222 5.492887E-002 HOCH2CO3H=HCHO+HO2+OH + 4.380000E+004 8 OH 237 6.740112E+001 CO2C3CO3+HO2=CH3COCH2O2+OH + 4.380000E+004 8 OH 243 2.146287E+001 CH3COCH2O2+HO2=CH3COCH2O+OH + 4.380000E+004 8 OH 250 3.995500E+001 C2H5CO3+HO2=C2H5O2+OH + 4.380000E+004 8 OH 260 9.176553E-001 HCOCO3+HO2=HO2+CO+OH + 4.380000E+004 8 OH 266 2.339379E-003 BIACETOOH=BIACETO+OH + 4.380000E+004 8 OH 267 1.257924E-001 BIACETOOH=BIACETO+OH + 4.380000E+004 8 OH 269 2.049243E-001 OH+BIACETOOH=CO23C3CHO+OH + 4.380000E+004 8 OH 278 3.855275E+002 HOCO3C4OOH+OH=HO1CO3CHO+OH + 4.380000E+004 8 OH 279 1.220494E+000 HOCO3C4OOH=HO1CO3C4O+OH + 4.380000E+004 8 OH 280 7.391595E-001 HOCO3C4OOH=HO1CO3C4O+OH + 4.380000E+004 8 OH 288 6.728428E-002 CO2C3CO3H=CH3COCH2O2+OH + 4.380000E+004 8 OH 289 4.074893E-002 CO2C3CO3H=CH3COCH2O2+OH + 4.380000E+004 8 OH 294 1.020621E+001 HYPERACET+OH=MGLYOX+OH + 4.380000E+004 8 OH 295 7.556672E-002 HYPERACET=CH3CO3+HCHO+OH + 4.380000E+004 8 OH 296 8.318340E-002 HYPERACET=CH3COCH2O+OH + 4.380000E+004 8 OH 303 4.136113E-002 PERPROACID=C2H5O2+OH + 4.380000E+004 8 OH 309 4.832459E-004 HCOCO3H=HO2+CO+OH + 4.380000E+004 8 OH 310 1.587394E-003 HCOCO3H=HO2+CO+OH + 4.380000E+004 8 OH 314 1.168426E+002 HOC2H4CO3+HO2=HOCH2CH2O2+OH + 4.380000E+004 8 OH 321 9.704512E-002 HOC2H4CO3H=HOCH2CH2O2+OH + 4.380000E+004 9 HO2 16 5.875778E+006 OH+O3=HO2 + 4.380000E+004 9 HO2 17 6.771205E-001 OH+H2=HO2 + 4.380000E+004 9 HO2 18 3.749714E+002 OH+CO=HO2 + 4.380000E+004 9 HO2 19 3.245241E+004 OH+H2O2=HO2 + 4.380000E+004 9 HO2 26 2.197595E+003 OH+NO3=HO2+NO2 4.380000E+004 9 HO2 35 0.000000E+000 HSO3=HO2+SO3 - 4.380000E+004 9 HO2 48 1.409169E+006 HO2NO2=HO2+NO2 - 4.380000E+004 9 HO2 49 3.577300E+005 CH3OH+OH=HO2+HCHO - 4.380000E+004 9 HO2 51 4.374726E+005 C2H5OH+OH=CH3CHO+HO2 - 4.380000E+004 9 HO2 54 5.045497E+005 BUT2OL+OH=MEK+HO2 - 4.380000E+004 9 HO2 55 8.743017E+003 HCHO=CO+HO2+HO2 - 4.380000E+004 9 HO2 55 8.743017E+003 HCHO=CO+HO2+HO2 - 4.380000E+004 9 HO2 57 1.623937E-001 NO3+HCHO=HNO3+CO+HO2 - 4.380000E+004 9 HO2 58 1.333241E+005 OH+HCHO=HO2+CO - 4.380000E+004 9 HO2 59 2.537241E+004 C2H5O=CH3CHO+HO2 - 4.380000E+004 9 HO2 60 2.069563E+003 CH3CHO=CH3O2+HO2+CO - 4.380000E+004 9 HO2 109 2.316571E+004 HOCH2CH2O=HO2+HCHO+HCHO - 4.380000E+004 9 HO2 110 3.570944E+003 HOCH2CH2O=HO2+HOCH2CHO - 4.380000E+004 9 HO2 111 4.931060E+000 ETHGLY+OH=HOCH2CHO+HO2 - 4.380000E+004 9 HO2 113 3.044980E+002 HOCH2CHO+OH=GLYOX+HO2 - 4.380000E+004 9 HO2 115 6.839649E+001 HOCH2CHO=HO2+HCHO+HO2+CO - 4.380000E+004 9 HO2 115 6.839649E+001 HOCH2CHO=HO2+HCHO+HO2+CO - 4.380000E+004 9 HO2 119 3.001203E+005 BUT2OLAO=CH3CHO+CH3CHO+HO2 - 4.380000E+004 9 HO2 121 6.049009E+003 BUT2OLO+OH=BIACET+HO2 - 4.380000E+004 9 HO2 122 6.412299E+001 BUT2OLO=CH3CO3+CH3CHO+HO2 - 4.380000E+004 9 HO2 123 3.461598E+001 BUT2OLOH+OH=BUT2OLO+HO2 - 4.380000E+004 9 HO2 155 1.321270E+005 CH3O=HCHO+HO2 - 4.380000E+004 9 HO2 165 2.105061E+001 HCOCH2OOH=HO2+CO+HCHO+OH - 4.380000E+004 9 HO2 166 2.229488E+004 HCOCH2O=HCHO+CO+HO2 - 4.380000E+004 9 HO2 168 1.372299E+001 GLYOX=CO+CO+HO2+HO2 - 4.380000E+004 9 HO2 168 1.372299E+001 GLYOX=CO+CO+HO2+HO2 - 4.380000E+004 9 HO2 172 6.011396E+001 HOCH2CO3+HO2=HO2+HCHO+OH - 4.380000E+004 9 HO2 175 7.347754E+002 HOCH2CO3+NO=NO2+HO2+HCHO - 4.380000E+004 9 HO2 177 1.144796E-001 HOCH2CO3+NO3=NO2+HO2+HCHO - 4.380000E+004 9 HO2 178 4.138407E+000 HOCH2CO3=HCHO+HO2 - 4.380000E+004 9 HO2 189 1.861076E+003 MEKAO=CO2C3CHO+HO2 - 4.380000E+004 9 HO2 194 1.379175E+000 MEKAOH+OH=CO2C3CHO+HO2 - 4.380000E+004 9 HO2 206 2.168408E+000 EGLYOX=C2H5CO3+CO+HO2 - 4.380000E+004 9 HO2 209 6.715263E-002 MEKCOH+OH=EGLYOX+HO2 - 4.380000E+004 9 HO2 210 1.212639E-003 MEKCOH=C2H5CO3+HCHO+HO2 - 4.380000E+004 9 HO2 216 4.449877E+001 HCOCO=CO+CO+HO2 - 4.380000E+004 9 HO2 217 6.114733E+001 HCOCO=CO+CO+HO2 - 4.380000E+004 9 HO2 220 6.160171E-001 HOCH2CO2H+OH=HCHO+HO2 - 4.380000E+004 9 HO2 222 5.479897E-002 HOCH2CO3H=HCHO+HO2+OH - 4.380000E+004 9 HO2 260 9.144150E-001 HCOCO3+HO2=HO2+CO+OH - 4.380000E+004 9 HO2 261 1.117693E+001 HCOCO3+NO=HO2+CO+NO2 - 4.380000E+004 9 HO2 262 1.523369E+001 HCOCO3+NO2=HO2+CO+NO3 - 4.380000E+004 9 HO2 263 1.741391E-003 HCOCO3+NO3=HO2+CO+NO2 - 4.380000E+004 9 HO2 264 6.295078E-002 HCOCO3=CO+HO2 - 4.380000E+004 9 HO2 272 2.242939E-004 OH+BIACETOH=CO23C3CHO+HO2 - 4.380000E+004 9 HO2 273 4.661798E-003 CO23C3CHO=CH3CO3+CO+CO+HO2 - 4.380000E+004 9 HO2 282 6.819345E-001 HO14CO2C4+OH=HO1CO3CHO+HO2 - 4.380000E+004 9 HO2 286 9.483560E+000 HO1CO3CHO=HOC2H4CO3+HO2+CO - 4.380000E+004 9 HO2 297 4.055225E-002 ACETOL+OH=MGLYOX+HO2 - 4.380000E+004 9 HO2 298 5.696254E-004 ACETOL=CH3CO3+HCHO+HO2 - 4.380000E+004 9 HO2 299 4.066847E-001 MGLYOX=CH3CO3+CO+HO2 - 4.380000E+004 9 HO2 307 4.982371E-003 HCOCO2H=HO2+HO2+CO - 4.380000E+004 9 HO2 307 4.982371E-003 HCOCO2H=HO2+HO2+CO - 4.380000E+004 9 HO2 308 2.395891E-002 OH+HCOCO2H=CO+HO2 - 4.380000E+004 9 HO2 309 4.813177E-004 HCOCO3H=HO2+CO+OH - 4.380000E+004 9 HO2 310 1.581061E-003 HCOCO3H=HO2+CO+OH + 4.380000E+004 9 HO2 48 1.409124E+006 HO2NO2=HO2+NO2 + 4.380000E+004 9 HO2 49 3.577166E+005 CH3OH+OH=HO2+HCHO + 4.380000E+004 9 HO2 51 4.374203E+005 C2H5OH+OH=CH3CHO+HO2 + 4.380000E+004 9 HO2 54 5.043920E+005 BUT2OL+OH=MEK+HO2 + 4.380000E+004 9 HO2 55 8.750779E+003 HCHO=CO+HO2+HO2 + 4.380000E+004 9 HO2 55 8.750779E+003 HCHO=CO+HO2+HO2 + 4.380000E+004 9 HO2 57 1.625165E-001 NO3+HCHO=HNO3+CO+HO2 + 4.380000E+004 9 HO2 58 1.334421E+005 OH+HCHO=HO2+CO + 4.380000E+004 9 HO2 59 2.537149E+004 C2H5O=CH3CHO+HO2 + 4.380000E+004 9 HO2 60 2.070670E+003 CH3CHO=CH3O2+HO2+CO + 4.380000E+004 9 HO2 109 2.316058E+004 HOCH2CH2O=HO2+HCHO+HCHO + 4.380000E+004 9 HO2 110 3.570154E+003 HOCH2CH2O=HO2+HOCH2CHO + 4.380000E+004 9 HO2 111 4.937541E+000 ETHGLY+OH=HOCH2CHO+HO2 + 4.380000E+004 9 HO2 113 3.048032E+002 HOCH2CHO+OH=GLYOX+HO2 + 4.380000E+004 9 HO2 115 6.846522E+001 HOCH2CHO=HO2+HCHO+HO2+CO + 4.380000E+004 9 HO2 115 6.846522E+001 HOCH2CHO=HO2+HCHO+HO2+CO + 4.380000E+004 9 HO2 119 2.999806E+005 BUT2OLAO=CH3CHO+CH3CHO+HO2 + 4.380000E+004 9 HO2 121 6.058878E+003 BUT2OLO+OH=BIACET+HO2 + 4.380000E+004 9 HO2 122 6.422771E+001 BUT2OLO=CH3CO3+CH3CHO+HO2 + 4.380000E+004 9 HO2 123 3.465309E+001 BUT2OLOH+OH=BUT2OLO+HO2 + 4.380000E+004 9 HO2 155 1.322334E+005 CH3O=HCHO+HO2 + 4.380000E+004 9 HO2 165 2.108799E+001 HCOCH2OOH=HO2+CO+HCHO+OH + 4.380000E+004 9 HO2 166 2.230741E+004 HCOCH2O=HCHO+CO+HO2 + 4.380000E+004 9 HO2 168 1.375782E+001 GLYOX=CO+CO+HO2+HO2 + 4.380000E+004 9 HO2 168 1.375782E+001 GLYOX=CO+CO+HO2+HO2 + 4.380000E+004 9 HO2 172 6.023231E+001 HOCH2CO3+HO2=HO2+HCHO+OH + 4.380000E+004 9 HO2 175 7.359495E+002 HOCH2CO3+NO=NO2+HO2+HCHO + 4.380000E+004 9 HO2 177 1.146761E-001 HOCH2CO3+NO3=NO2+HO2+HCHO + 4.380000E+004 9 HO2 178 4.148793E+000 HOCH2CO3=HCHO+HO2 + 4.380000E+004 9 HO2 189 1.862227E+003 MEKAO=CO2C3CHO+HO2 + 4.380000E+004 9 HO2 194 1.382561E+000 MEKAOH+OH=CO2C3CHO+HO2 + 4.380000E+004 9 HO2 206 2.174505E+000 EGLYOX=C2H5CO3+CO+HO2 + 4.380000E+004 9 HO2 209 6.732327E-002 MEKCOH+OH=EGLYOX+HO2 + 4.380000E+004 9 HO2 210 1.215723E-003 MEKCOH=C2H5CO3+HCHO+HO2 + 4.380000E+004 9 HO2 216 4.461653E+001 HCOCO=CO+CO+HO2 + 4.380000E+004 9 HO2 217 6.130915E+001 HCOCO=CO+CO+HO2 + 4.380000E+004 9 HO2 220 6.175259E-001 HOCH2CO2H+OH=HCHO+HO2 + 4.380000E+004 9 HO2 222 5.492887E-002 HOCH2CO3H=HCHO+HO2+OH + 4.380000E+004 9 HO2 260 9.176553E-001 HCOCO3+HO2=HO2+CO+OH + 4.380000E+004 9 HO2 261 1.121239E+001 HCOCO3+NO=HO2+CO+NO2 + 4.380000E+004 9 HO2 262 1.528141E+001 HCOCO3+NO2=HO2+CO+NO3 + 4.380000E+004 9 HO2 263 1.747121E-003 HCOCO3+NO3=HO2+CO+NO2 + 4.380000E+004 9 HO2 264 6.320797E-002 HCOCO3=CO+HO2 + 4.380000E+004 9 HO2 272 2.253916E-004 OH+BIACETOH=CO23C3CHO+HO2 + 4.380000E+004 9 HO2 273 4.685301E-003 CO23C3CHO=CH3CO3+CO+CO+HO2 + 4.380000E+004 9 HO2 282 6.836482E-001 HO14CO2C4+OH=HO1CO3CHO+HO2 + 4.380000E+004 9 HO2 286 9.510303E+000 HO1CO3CHO=HOC2H4CO3+HO2+CO + 4.380000E+004 9 HO2 297 4.070484E-002 ACETOL+OH=MGLYOX+HO2 + 4.380000E+004 9 HO2 298 5.717698E-004 ACETOL=CH3CO3+HCHO+HO2 + 4.380000E+004 9 HO2 299 4.083000E-001 MGLYOX=CH3CO3+CO+HO2 + 4.380000E+004 9 HO2 307 5.002676E-003 HCOCO2H=HO2+HO2+CO + 4.380000E+004 9 HO2 307 5.002676E-003 HCOCO2H=HO2+HO2+CO + 4.380000E+004 9 HO2 308 2.405645E-002 OH+HCOCO2H=CO+HO2 + 4.380000E+004 9 HO2 309 4.832459E-004 HCOCO3H=HO2+CO+OH + 4.380000E+004 9 HO2 310 1.587394E-003 HCOCO3H=HO2+CO+OH diff --git a/travis/tests/short_ext2/output/speciesConcentrations.output.cmp b/travis/tests/short_ext2/output/speciesConcentrations.output.cmp index 520f5ded8..dac412577 100644 --- a/travis/tests/short_ext2/output/speciesConcentrations.output.cmp +++ b/travis/tests/short_ext2/output/speciesConcentrations.output.cmp @@ -1,5 +1,5 @@ t O3 NO2 NO HCHO CH3CHO MEK 4.320000E+004 1.200000E+012 6.200000E+009 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 - 4.350000E+004 1.199240E+012 3.930592E+009 1.301303E+009 5.298315E+007 1.154839E+008 8.970849E+007 - 4.380000E+004 1.196868E+012 3.331465E+009 1.098792E+009 1.123949E+008 2.073480E+008 1.703102E+008 - 4.410000E+004 1.194395E+012 2.849630E+009 9.358861E+008 1.706929E+008 2.613911E+008 2.364676E+008 + 4.350000E+004 1.199240E+012 3.930513E+009 1.301387E+009 5.298293E+007 1.154828E+008 8.970805E+007 + 4.380000E+004 1.196868E+012 3.331480E+009 1.098784E+009 1.123955E+008 2.073461E+008 1.703096E+008 + 4.410000E+004 1.194395E+012 2.849637E+009 9.358853E+008 1.706936E+008 2.613893E+008 2.364668E+008 diff --git a/travis/tests/short_ext2/short_ext2.out.cmp b/travis/tests/short_ext2/short_ext2.out.cmp index 47b7b44da..8c827aa04 100644 --- a/travis/tests/short_ext2/short_ext2.out.cmp +++ b/travis/tests/short_ext2/short_ext2.out.cmp @@ -168,10 +168,10 @@ AtChem2 v1.1-dev ------------------ Final statistics ------------------ - No. steps = 146 No. f-s = 172 No. J-s = 325 No. LU-s = 43 - No. nonlinear iterations = 171 + No. steps = 152 No. f-s = 176 No. J-s = 169 No. LU-s = 44 + No. nonlinear iterations = 175 No. nonlinear convergence failures = 0 - No. error test failures = 1 + No. error test failures = 2 Runtime = 0 Deallocating memory. diff --git a/travis/tests/short_ext3/output/environmentVariables.output.cmp b/travis/tests/short_ext3/output/environmentVariables.output.cmp index 8d56a4bf8..83bf7bc88 100644 --- a/travis/tests/short_ext3/output/environmentVariables.output.cmp +++ b/travis/tests/short_ext3/output/environmentVariables.output.cmp @@ -1,4 +1,4 @@ t M TEMP PRESS RH H2O DEC BLHEIGHT DILUTE JFAC ROOFOPEN RO2 - 4.350000E+004 2.445710E+019 3.000000E+002 1.013000E+003 2.000000E+001 1.718400E+017 -1.100000E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 2.954458E+006 - 4.380000E+004 2.445710E+019 3.000000E+002 1.013000E+003 2.000000E+001 1.718400E+017 -1.100000E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 3.763660E+006 - 4.410000E+004 2.445710E+019 3.000000E+002 1.013000E+003 2.000000E+001 1.718400E+017 -1.100000E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 4.371785E+006 + 4.350000E+004 2.445710E+019 3.000000E+002 1.013000E+003 2.000000E+001 1.718400E+017 -1.100000E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 2.954416E+006 + 4.380000E+004 2.445710E+019 3.000000E+002 1.013000E+003 2.000000E+001 1.718400E+017 -1.100000E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 3.763755E+006 + 4.410000E+004 2.445710E+019 3.000000E+002 1.013000E+003 2.000000E+001 1.718400E+017 -1.100000E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 4.371779E+006 diff --git a/travis/tests/short_ext3/output/finalModelState.output.cmp b/travis/tests/short_ext3/output/finalModelState.output.cmp index b22d2a320..dca1036e4 100644 --- a/travis/tests/short_ext3/output/finalModelState.output.cmp +++ b/travis/tests/short_ext3/output/finalModelState.output.cmp @@ -1,104 +1,104 @@ - O 6504.2980926271248 - O3 1200457023998.5076 - NO 1250352950.3519778 - NO2 4368636300.3967390 - NO3 1089831.4247647976 - O1D 1.4066553204747374E-002 - N2O5 103139.39921425066 - OH 13791271.984080710 - HO2 92361390.654436290 - H2 408933.01362045499 - CO 2519210.5770023689 - H2O2 20784828.153373282 - HONO 79593028.427460104 - HNO3 490167837.19279605 - HO2NO2 3781933.9747438943 + O 6504.2981437076423 + O3 1200457027799.1350 + NO 1250353123.8419757 + NO2 4368636650.7378340 + NO3 1089831.5381939022 + O1D 1.4066553249232627E-002 + N2O5 103139.50724659782 + OH 13791259.997432459 + HO2 92361175.452995345 + H2 408934.43686256686 + CO 2519233.1953284275 + H2O2 20784881.372233927 + HONO 79593277.297294050 + HNO3 490166926.54097712 + HO2NO2 3781925.6707587531 SO2 0.0000000000000000 SO3 0.0000000000000000 HSO3 0.0000000000000000 - NA 1328928.2673183559 + NA 1328927.2335822512 SA 0.0000000000000000 - CH3OH 3069450122.3822188 - HCHO 33891523.044671662 - C2H5OH 1255043704.5300682 - C2H5O 6.8901989743863981E-002 - CH3CHO 86314487.215230286 - HOCH2CH2O2 229125.79601290144 - BUT2OL 881668571.01377273 - BUT2OLO2 3050028.6014427138 - MEK 56057798.720012702 - CH3O2 642816.98952276492 - CH3CO3 292807.98648790939 - HCOCH2O2 65477.280406176593 - HYETHO2H 141269.71455297252 - ETHOHNO3 9418.8367509039690 - HOCH2CH2O 1.0191931548286105E-002 - ETHGLY 182.21623016076967 - HOCH2CHO 344720.88303002372 - BUT2OLOOH 2172137.4851158685 - BUT2OLAO 1.0943138398467492E-003 - BUT2OLNO3 1069917.9493190614 - BUT2OLO 316116.65260670631 - BUT2OLOH 1255.8333488874889 - MEKAO2 28237.380763074565 - MEKBO2 28434.382773431113 - MEKCO2 4860.7044306653443 - C2H5O2 8245.7096948685030 - CH3OOH 84946.521016413448 - CH3NO3 2098.2238968833467 - CH3O 0.60846541878918625 - CH3O2NO2 8639.6911696438674 - CH3CO2H 19597.833825721238 - CH3CO3H 51486.573871960863 - PAN 3692368.2199507039 - HCOCH2OOH 15735.130379455273 - HCOCH2O 7.3446338245733965E-004 - GLYOX 4855.6143468712544 - HOCH2CO3 641.12253400616112 - BIACET 6648.8612438659420 - MEKAOOH 10568.005063625718 - MEKANO3 3914.9237948191058 - MEKAO 1.6558385466945910E-003 - CO2C3CHO 24712.704013218889 - MEKAOH 15.127371887110566 - MEKBOOH 11659.543205249693 - MEKBO 3.1888228642837406E-004 - MEKCOOH 2052.1898140828162 - MEKCO 5.4525674623133734E-005 - EGLYOX 63.705094679105699 - MEKCOH 2.6855200513231932 - C2H5OOH 1993.8380200725062 - C2H5NO3 319.75511936596956 - HCOCO 5.1075772015600934E-009 - HOCH2CO2H 41.894147113834251 - HOCH2CO3H 106.33017088168326 - PHAN 7655.9512239146361 - BIACETO2 1.2908584560361429 - HO1CO3C4O2 16200.139224608729 - CO2C3CO3 390.95614294440338 - CH3COCH2O2 671.44830475441336 - C2H5CO3 807.78641583673686 - HCOCO3 0.98500628139594204 - BIACETOOH 0.26001766913703428 - BIACETO 1.4533851982906695E-008 - BIACETOH 3.4539280149237012E-004 - CO23C3CHO 3.0923979776290977E-003 - HOCO3C4OOH 6164.6926163263051 - HO1CO3C4O 1.8173518768875460E-004 - HO14CO2C4 8.0918971227145011 - HO1CO3CHO 391.78263007067932 - CO2C3CO3H 64.674330097380732 - CO2C3PAN 3410.0812203282117 - CH3COCH2O 7.6154598965351694E-006 - HYPERACET 99.145976359356993 - ACETOL 0.40680313458625528 - MGLYOX 7.3994757355665897 - PERPROACID 139.70411029383342 - PROPACID 55.009398209364278 - PPN 11517.373062702049 - HCOCO2H 4.0915845778207831E-002 - HCOCO3H 0.10555527077477662 - HOC2H4CO3 3036.5932701618854 - HOC2H4CO2H 179.94310092674456 - HOC2H4CO3H 457.03135332672832 - C3PAN1 33650.215758962397 + CH3OH 3069450113.1626582 + HCHO 33891566.116049938 + C2H5OH 1255043696.2156842 + C2H5O 6.8901934236078488E-002 + CH3CHO 86314430.407695949 + HOCH2CH2O2 229125.37255641576 + BUT2OL 881668579.02904415 + BUT2OLO2 3050022.0130079119 + MEK 56057790.273417726 + CH3O2 642816.94852713018 + CH3CO3 292808.50663399039 + HCOCH2O2 65477.241429211186 + HYETHO2H 141269.71234633957 + ETHOHNO3 9418.8430461602202 + HOCH2CH2O 1.0191922813006387E-002 + ETHGLY 182.21591302577716 + HOCH2CHO 344721.00960636180 + BUT2OLOOH 2172136.6920768293 + BUT2OLAO 1.0943124884077728E-003 + BUT2OLNO3 1069917.9259912202 + BUT2OLO 316119.16286037833 + BUT2OLOH 1255.8314499666940 + MEKAO2 28237.403219340675 + MEKBO2 28434.405127236347 + MEKCO2 4860.7082927615011 + C2H5O2 8245.7125466019606 + CH3OOH 84946.950402873219 + CH3NO3 2098.2692941623200 + CH3O 0.60846590462414341 + CH3O2NO2 8639.6923331260623 + CH3CO2H 19597.724880022721 + CH3CO3H 51486.289192096148 + PAN 3692390.7093439917 + HCOCH2OOH 15735.060101602936 + HCOCH2O 7.3446403543916169E-004 + GLYOX 4855.6488648579389 + HOCH2CO3 641.12432570257988 + BIACET 6648.9281756948567 + MEKAOOH 10567.954765560547 + MEKANO3 3914.9737763388080 + MEKAO 1.6558426058081704E-003 + CO2C3CHO 24712.944968325646 + MEKAOH 15.127256835461749 + MEKBOOH 11659.491729210384 + MEKBO 3.1888306763549194E-004 + MEKCOOH 2052.1809472194382 + MEKCO 5.4525808280692530E-005 + EGLYOX 63.704996380729497 + MEKCOH 2.6854999168780980 + C2H5OOH 1993.8295865995101 + C2H5NO3 319.75718274512201 + HCOCO 5.1075922440465595E-009 + HOCH2CO2H 41.893887938973151 + HOCH2CO3H 106.32952989715842 + PHAN 7656.0107245783711 + BIACETO2 1.2908677184268100 + HO1CO3C4O2 16200.190126703088 + CO2C3CO3 390.96044007911638 + CH3COCH2O2 671.45571827708352 + C2H5CO3 807.78650455487127 + HCOCO3 0.98500971783030922 + BIACETOOH 0.26001745146863681 + BIACETO 1.4533985638693216E-008 + BIACETOH 3.4539697569459720E-004 + CO23C3CHO 3.0926216195760483E-003 + HOCO3C4OOH 6164.7108606232741 + HO1CO3C4O 1.8173583335085922E-004 + HO14CO2C4 8.0919098925650381 + HO1CO3CHO 391.78404528837370 + CO2C3CO3H 64.673749261553354 + CO2C3PAN 3410.1504621340719 + CH3COCH2O 7.6155569366286078E-006 + HYPERACET 99.146597385406608 + ACETOL 0.40680553117705859 + MGLYOX 7.3996200926383260 + PERPROACID 139.70499526464820 + PROPACID 55.009741921377149 + PPN 11517.477995203049 + HCOCO2H 4.0915264327726728E-002 + HCOCO3H 0.10555379874085706 + HOC2H4CO3 3036.6092921730838 + HOC2H4CO2H 179.94523745131178 + HOC2H4CO3H 457.03677931048981 + C3PAN1 33650.635578297370 diff --git a/travis/tests/short_ext3/output/instantaneousRates/43500.cmp b/travis/tests/short_ext3/output/instantaneousRates/43500.cmp index ca430bf2c..cd778a666 100644 --- a/travis/tests/short_ext3/output/instantaneousRates/43500.cmp +++ b/travis/tests/short_ext3/output/instantaneousRates/43500.cmp @@ -1,325 +1,325 @@ reactionNumber reactionRate -1 3.583196E+008 -2 1.029965E+008 -3 6.546344E+001 -4 1.958053E+001 -5 3.147401E+002 -6 6.317848E+001 -7 2.892939E+006 -8 8.314432E+006 -9 2.873995E+007 -10 2.089038E+005 -11 1.793778E-001 -12 4.009410E+004 -13 3.618051E+000 -14 6.629234E+003 -15 5.189745E+005 -16 1.103763E+006 -17 3.000969E-003 -18 5.159852E-001 -19 7.276694E+001 -20 1.868076E+005 -21 1.042090E+005 -22 1.286394E+004 -23 9.643087E+003 -24 1.609500E+005 -25 5.645599E+005 -26 2.844695E+002 -27 8.689548E+005 -28 2.631533E+005 -29 1.304366E+002 -30 3.487608E+002 -31 2.277309E+003 -32 2.638019E+002 +1 3.582928E+008 +2 1.029888E+008 +3 6.545805E+001 +4 1.955822E+001 +5 3.143851E+002 +6 6.310724E+001 +7 2.892918E+006 +8 8.314372E+006 +9 2.870913E+007 +10 2.086822E+005 +11 1.789960E-001 +12 4.003404E+004 +13 3.612674E+000 +14 6.619381E+003 +15 5.189707E+005 +16 1.109072E+006 +17 3.233697E-003 +18 5.593017E-001 +19 7.755280E+001 +20 1.884767E+005 +21 1.056475E+005 +22 1.309504E+004 +23 9.816325E+003 +24 1.615532E+005 +25 5.666824E+005 +26 2.857161E+002 +27 8.757919E+005 +28 2.652270E+005 +29 1.322195E+002 +30 3.517270E+002 +31 2.367657E+003 +32 2.749047E+002 33 0.000000E+000 34 0.000000E+000 35 0.000000E+000 -36 8.438857E+002 -37 4.628821E+001 +36 8.751864E+002 +37 4.637159E+001 38 0.000000E+000 -39 1.172635E+007 -40 4.203626E+008 -41 1.453846E+001 -42 2.959948E+007 -43 2.139898E+004 -44 1.470732E+005 -45 4.230867E+004 -46 3.785119E+001 -47 6.581522E+003 -48 2.597549E+005 -49 3.461313E+004 -50 2.561340E+003 -51 4.610412E+004 -52 2.561340E+003 -53 3.682498E+004 -54 6.518328E+004 -55 1.444727E+002 -56 2.644429E+002 -57 5.644475E-003 -58 9.405277E+002 -59 2.580626E+003 -60 4.045657E+001 -61 7.420792E-002 -62 3.985590E+003 -63 2.097679E+002 -64 1.618221E+002 -65 1.101514E+001 -66 2.192012E+003 -67 4.812660E-001 -68 1.880851E-001 -69 5.642554E-001 -70 1.880851E-001 -71 2.744219E+003 -72 3.013962E+004 -73 1.288555E+003 -74 6.865694E+000 -75 4.062018E+000 -76 1.354006E+000 -77 1.354006E+000 -78 1.005545E+002 -79 1.012118E+002 -80 1.730677E+001 -81 2.547818E+001 -82 3.031449E+001 -83 2.908659E+000 -84 8.779540E-001 -85 8.770760E+002 -86 2.307670E+003 -87 1.174698E-001 -88 6.593424E-002 -89 5.475827E-002 -90 5.475827E-002 -91 8.776434E+000 -92 2.398892E+001 -93 2.574421E+001 -94 1.497981E+003 -95 2.337725E+003 -96 2.587270E-001 -97 2.318619E-001 -98 5.410112E-001 -99 7.024405E+000 -100 1.299209E+002 -101 2.838209E-002 -102 1.272119E-002 -103 3.816358E-002 -104 1.272119E-002 -105 1.062104E+000 -106 4.094865E+000 -107 7.585704E-002 -108 2.155899E-002 -109 1.780431E+003 -110 4.116744E+002 -111 4.844450E-003 -112 2.501062E-004 -113 1.905183E+000 -114 7.620732E+000 -115 7.468661E-001 -116 1.443919E+002 -117 1.788347E+001 -118 1.277264E+000 -119 3.013774E+004 -120 5.425605E+000 -121 9.930278E-001 -122 2.190011E-002 -123 4.186684E-002 -124 5.537062E+000 -125 2.092636E+000 -126 6.132059E+001 -127 1.385304E-002 -128 6.209099E-003 -129 1.862730E-002 -130 6.209099E-003 -131 5.574089E+000 -132 6.383726E+001 -133 1.394568E-002 -134 2.750272E-003 -135 2.750272E-003 -136 8.250818E-003 -137 9.530058E-001 -138 1.091430E+001 -139 2.384302E-003 -140 1.068673E-003 -141 3.206018E-003 -142 1.068673E-003 -143 9.496184E-001 -144 1.752325E-001 -145 1.929505E+001 -146 4.213162E-003 -147 8.451178E-004 -148 2.817059E-004 -149 2.817059E-004 -150 7.384439E-003 -151 1.730463E-001 -152 1.153642E-001 -153 3.547536E-005 -154 2.240190E-005 -155 8.766156E+002 -156 2.299077E+003 -157 8.224322E-003 -158 1.010997E-001 -159 6.985277E-003 -160 8.812899E-002 -161 1.388747E+002 -162 2.055210E-001 -163 2.527959E-002 -164 1.805505E-003 -165 5.537317E-003 -166 1.299335E+002 -167 9.083510E-003 -168 3.096496E-003 -169 1.369493E-003 -170 6.636938E-007 -171 2.433952E-002 -172 4.749610E-002 -173 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a/travis/tests/short_ext3/output/instantaneousRates/44100.cmp +++ b/travis/tests/short_ext3/output/instantaneousRates/44100.cmp @@ -1,325 +1,325 @@ reactionNumber reactionRate -1 3.563132E+008 -2 1.024198E+008 -3 6.506120E+001 -4 1.800531E+001 -5 2.911979E+002 -6 5.845281E+001 -7 2.882438E+006 -8 8.284251E+006 -9 2.656212E+007 -10 1.942598E+005 -11 1.533905E-001 -12 3.513938E+004 -13 3.190423E+000 -14 5.845704E+003 -15 5.170906E+005 -16 1.229302E+006 -17 4.317471E-002 -18 8.657864E+000 -19 5.158808E+002 -20 2.278837E+005 -21 1.417370E+005 -22 1.916407E+004 -23 1.436580E+004 -24 1.658543E+005 -25 5.853365E+005 -26 3.004382E+002 -27 9.807741E+005 -28 2.988412E+005 -29 1.670608E+002 -30 4.034440E+002 -31 6.686259E+003 -32 1.067103E+003 +1 3.562890E+008 +2 1.024128E+008 +3 6.505638E+001 +4 1.798913E+001 +5 2.909449E+002 +6 5.840203E+001 +7 2.882220E+006 +8 8.283623E+006 +9 2.653988E+007 +10 1.941030E+005 +11 1.531356E-001 +12 3.508890E+004 +13 3.185935E+000 +14 5.837483E+003 +15 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3.775818E-006 -228 8.052339E-006 -229 2.684113E-006 -230 2.684113E-006 -231 2.202213E+001 -232 1.910811E+002 -233 4.278257E-002 -234 3.041281E-002 -235 9.123845E-002 -236 3.041281E-002 -237 2.395173E-001 -238 3.048402E-001 -239 1.055898E+001 -240 1.657939E+001 -241 1.870071E-003 -242 1.910023E-002 -243 9.097228E-002 -244 5.155096E-001 -245 8.313669E+000 -246 1.861409E-003 -247 2.214168E-003 -248 6.642504E-003 -249 2.214168E-003 -250 4.737556E-001 -251 4.414541E-001 -252 1.615076E-001 -253 2.204120E+001 -254 3.279337E+001 -255 3.698925E-003 -256 2.644564E-002 -257 1.133385E-002 -258 2.095297E-004 -259 5.727144E-004 -260 6.146203E-004 -261 2.709517E-002 -262 4.254403E-002 -263 4.798750E-006 -264 3.430888E-005 -265 1.470381E-005 -266 1.011450E-006 -267 6.676035E-005 -268 1.580329E-005 -269 2.644645E-005 -270 1.694408E-002 -271 8.951826E-008 -272 1.592524E-008 -273 3.812703E-007 -274 8.251836E-007 -275 4.874480E-011 -276 6.712399E-007 -277 3.381595E-001 -278 2.040650E+000 -279 2.164306E-002 -280 1.093359E-002 -281 1.912553E+002 -282 1.965640E-003 -283 1.448946E-005 -284 5.607651E-006 -285 1.607183E-001 -286 4.386172E-002 -287 4.314918E-003 -288 2.364832E-004 -289 1.194660E-004 -290 3.188781E-002 -291 2.281261E+000 -292 8.413397E+000 -293 5.720996E-003 -294 1.340994E-002 -295 1.849749E-004 -296 3.661583E-004 -297 2.927946E-005 -298 7.662284E-007 -299 8.574301E-004 -300 6.577264E-008 -301 1.585221E-003 -302 9.436812E-003 -303 4.891105E-004 -304 1.009831E-003 -305 2.217793E-001 -306 1.005606E-015 -307 4.623684E-006 -308 8.140158E-006 -309 3.910063E-007 -310 1.198854E-006 -311 2.696726E-005 -312 6.127971E-001 -313 1.674979E+000 -314 1.797538E+000 -315 7.924339E+001 -316 1.244256E+002 -317 1.403457E-002 -318 4.300322E-002 -319 1.003408E-001 -320 3.861207E-002 -321 1.614677E-003 -322 1.219348E-001 -323 2.174783E+001 -324 2.311999E+000 +39 1.168289E+007 +40 4.199037E+008 +41 9.333150E+001 +42 2.749353E+007 +43 2.025992E+004 +44 1.392417E+005 +45 1.118277E+005 +46 1.381994E+002 +47 5.816945E+003 +48 2.985942E+005 +49 3.829330E+004 +50 2.778290E+003 +51 5.000921E+004 +52 2.778290E+003 +53 3.810831E+004 +54 6.745488E+004 +55 5.759870E+002 +56 1.054723E+003 +57 2.135120E-002 +58 4.187681E+003 +59 2.876097E+003 +60 1.604077E+002 +61 2.793523E-001 +62 1.766029E+004 +63 9.294890E+002 +64 2.499873E+002 +65 1.286961E+001 +66 2.561052E+003 +67 5.764243E-001 +68 3.585932E-001 +69 1.075780E+000 +70 3.585932E-001 +71 3.935548E+003 +72 3.269035E+004 +73 1.397606E+003 +74 7.633926E+000 +75 7.189452E+000 +76 2.396484E+000 +77 2.396484E+000 +78 4.152477E+002 +79 4.179618E+002 +80 7.146965E+001 +81 9.416750E+001 +82 2.988494E+002 +83 2.867444E+001 +84 6.545898E+000 +85 6.539352E+003 +86 1.731187E+004 +87 8.978536E-001 +88 8.021961E-001 +89 6.662224E-001 +90 6.662224E-001 +91 5.920917E+001 +92 1.618384E+002 +93 1.736802E+002 +94 7.643155E+003 +95 1.200142E+004 +96 1.353286E+000 +97 1.930491E+000 +98 4.504479E+000 +99 5.548292E+001 +100 7.761115E+002 +101 1.738085E-001 +102 1.240067E-001 +103 3.720200E-001 +104 1.240067E-001 +105 7.437911E+000 +106 2.867631E+001 +107 4.757914E-001 +108 1.156706E-001 +109 2.082072E+003 +110 4.814203E+002 +111 3.921359E-002 +112 1.123214E-003 +113 1.007112E+001 +114 4.028449E+001 +115 3.535087E+000 +116 9.172975E+002 +117 1.136107E+002 +118 7.267495E+000 +119 3.271658E+004 +120 2.792144E+001 +121 2.866722E+001 +122 5.658448E-001 +123 3.212658E-001 +124 3.863235E+001 +125 1.104233E+001 +126 3.235738E+002 +127 7.493659E-002 +128 5.346478E-002 +129 1.603943E-001 +130 5.346478E-002 +131 3.890280E+001 +132 3.369586E+002 +133 7.546118E-002 +134 2.368919E-002 +135 2.368919E-002 +136 7.106756E-002 +137 6.650189E+000 +138 5.760096E+001 +139 1.289962E-002 +140 9.203450E-003 +141 2.761035E-002 +142 9.203450E-003 +143 6.355805E+000 +144 8.870160E-001 +145 9.767033E+001 +146 2.186284E-002 +147 6.980815E-003 +148 2.326938E-003 +149 2.326938E-003 +150 3.056408E-001 +151 7.996856E+000 +152 5.331237E+000 +153 1.109049E-003 +154 7.824551E-004 +155 6.541797E+003 +156 1.729591E+004 +157 2.442384E-001 +158 2.965149E+000 +159 1.834920E-001 +160 1.695919E+000 +161 2.397016E+003 +162 7.110227E+000 +163 8.745754E-001 +164 5.594520E-002 +165 1.715310E-001 +166 7.767601E+002 +167 2.455279E-001 +168 8.362581E-002 +169 3.701750E-002 +170 1.700232E-005 +171 7.339319E-001 +172 3.826944E-001 +173 1.304640E-001 +174 3.566016E-001 +175 1.684125E+001 +176 2.644443E+001 +177 2.983380E-003 +178 2.140776E-002 +179 9.174755E-003 +180 1.642935E+000 +181 2.615055E-002 +182 7.962706E+000 +183 5.840468E-001 +184 3.736055E-002 +185 1.887341E-002 +186 5.818882E-002 +187 3.072257E-003 +188 6.981873E-003 +189 8.250201E+001 +190 2.413954E+002 +191 3.371429E-004 +192 2.701752E+001 +193 2.652722E-001 +194 3.204415E-003 +195 2.745518E-005 +196 3.400862E+000 +197 6.474973E-001 +198 2.092380E-002 +199 4.141938E-002 +200 3.371695E+002 +201 3.045515E-001 +202 1.141469E-001 +203 3.688644E-003 +204 7.301797E-003 +205 5.765268E+001 +206 7.274593E-003 +207 9.294950E-007 +208 1.448062E-002 +209 1.451983E-004 +210 4.882166E-006 +211 7.087350E-003 +212 1.107945E-001 +213 2.479385E-001 +214 1.848479E-004 +215 8.843005E-004 +216 1.083075E-001 +217 1.488291E-001 +218 4.001099E-001 +219 7.614324E-002 +220 1.792792E-003 +221 1.030451E-002 +222 3.811614E-004 +223 1.321249E-001 +224 5.002116E+000 +225 2.005717E-003 +226 1.737263E-002 +227 3.890563E-006 +228 8.327365E-006 +229 2.775788E-006 +230 2.775788E-006 +231 2.228245E+001 +232 1.930006E+002 +233 4.322209E-002 +234 3.083753E-002 +235 9.251259E-002 +236 3.083753E-002 +237 2.441676E-001 +238 3.107587E-001 +239 1.074510E+001 +240 1.687214E+001 +241 1.903463E-003 +242 1.951233E-002 +243 9.290716E-002 +244 5.264739E-001 +245 8.475594E+000 +246 1.898092E-003 +247 2.266053E-003 +248 6.798159E-003 +249 2.266053E-003 +250 4.789339E-001 +251 4.462793E-001 +252 1.632729E-001 +253 2.224302E+001 +254 3.309464E+001 +255 3.733636E-003 +256 2.679135E-002 +257 1.148201E-002 +258 2.144364E-004 +259 5.861261E-004 +260 6.290134E-004 +261 2.768103E-002 +262 4.346524E-002 +263 4.903615E-006 +264 3.518674E-005 +265 1.508003E-005 +266 1.052605E-006 +267 6.947794E-005 +268 1.645507E-005 +269 2.753721E-005 +270 1.745597E-002 +271 9.332308E-008 +272 1.661068E-008 +273 4.000032E-007 +274 8.657273E-007 +275 5.110952E-011 +276 7.045833E-007 +277 3.451241E-001 +278 2.082678E+000 +279 2.207704E-002 +280 1.115264E-002 +281 1.931820E+002 +282 2.009880E-003 +283 1.480744E-005 +284 5.767394E-006 +285 1.654798E-001 +286 4.513789E-002 +287 4.440626E-003 +288 2.432429E-004 +289 1.228789E-004 +290 3.273032E-002 +291 2.340359E+000 +292 8.578122E+000 +293 5.898226E-003 +294 1.382536E-002 +295 1.906005E-004 +296 3.773002E-004 +297 3.024391E-005 +298 7.910330E-007 +299 8.883943E-004 +300 6.810757E-008 +301 1.643315E-003 +302 9.625515E-003 +303 4.986250E-004 +304 1.030231E-003 +305 2.259287E-001 +306 1.023906E-015 +307 4.771574E-006 +308 8.404861E-006 +309 4.034705E-007 +310 1.237063E-006 +311 2.784175E-005 +312 6.206302E-001 +313 1.696389E+000 +314 1.820515E+000 +315 8.011551E+001 +316 1.257988E+002 +317 1.419223E-002 +318 4.364522E-002 +319 1.018388E-001 +320 3.945719E-002 +321 1.648811E-003 +322 1.245789E-001 +323 2.216303E+001 +324 2.357321E+000 diff --git a/travis/tests/short_ext3/output/lossRates.output.cmp b/travis/tests/short_ext3/output/lossRates.output.cmp index 763dbca5e..0f578b930 100644 --- a/travis/tests/short_ext3/output/lossRates.output.cmp +++ b/travis/tests/short_ext3/output/lossRates.output.cmp @@ -1,124 +1,124 @@ time speciesNumber speciesName reactionNumber rate - 4.380000E+004 8 OH 16 2.896033E+007 OH+O3=HO2 - 4.380000E+004 8 OH 17 1.738094E-002 OH+H2=HO2 - 4.380000E+004 8 OH 18 3.353630E+000 OH+CO=HO2 - 4.380000E+004 8 OH 19 2.806515E+002 OH+H2O2=HO2 - 4.380000E+004 8 OH 21 3.467792E+005 OH+HO2= - 4.380000E+004 8 OH 24 2.776844E+007 OH+NO=HONO - 4.380000E+004 8 OH 25 7.971396E+005 OH+NO2=HNO3 - 4.380000E+004 8 OH 26 4.394995E+004 OH+NO3=HO2+NO2 - 4.380000E+004 8 OH 29 1.593503E+002 OH+HO2NO2=NO2 - 4.380000E+004 8 OH 31 4.993729E+003 OH+HONO=NO2 - 4.380000E+004 8 OH 32 6.726648E+002 OH+HNO3=NO3 + 4.380000E+004 8 OH 16 2.894647E+007 OH+O3=HO2 + 4.380000E+004 8 OH 17 1.765419E-002 OH+H2=HO2 + 4.380000E+004 8 OH 18 3.408948E+000 OH+CO=HO2 + 4.380000E+004 8 OH 19 2.837554E+002 OH+H2O2=HO2 + 4.380000E+004 8 OH 21 3.470779E+005 OH+HO2= + 4.380000E+004 8 OH 24 2.775407E+007 OH+NO=HONO + 4.380000E+004 8 OH 25 7.970295E+005 OH+NO2=HNO3 + 4.380000E+004 8 OH 26 4.391155E+004 OH+NO3=HO2+NO2 + 4.380000E+004 8 OH 29 1.594335E+002 OH+HO2NO2=NO2 + 4.380000E+004 8 OH 31 5.022448E+003 OH+HONO=NO2 + 4.380000E+004 8 OH 32 6.780900E+002 OH+HNO3=NO3 4.380000E+004 8 OH 34 0.000000E+000 OH+SO2=HSO3 - 4.380000E+004 8 OH 49 2.126228E+006 CH3OH+OH=HO2+HCHO - 4.380000E+004 8 OH 50 2.128965E+006 C2H5OH+OH=C2H5O - 4.380000E+004 8 OH 51 2.178225E+006 C2H5OH+OH=CH3CHO+HO2 - 4.380000E+004 8 OH 52 2.180962E+006 C2H5OH+OH=HOCH2CH2O2 - 4.380000E+004 8 OH 53 2.219394E+006 BUT2OL+OH=BUT2OLO2 - 4.380000E+004 8 OH 54 2.287422E+006 BUT2OL+OH=MEK+HO2 - 4.380000E+004 8 OH 58 3.536548E+003 OH+HCHO=HO2+CO - 4.380000E+004 8 OH 62 1.110369E+004 OH+CH3CHO=CH3CO3 - 4.380000E+004 8 OH 63 1.168267E+004 OH+CH3CHO=HCOCH2O2 - 4.380000E+004 8 OH 78 2.301784E+006 MEK+OH=MEKAO2 - 4.380000E+004 8 OH 79 2.302045E+006 MEK+OH=MEKBO2 - 4.380000E+004 8 OH 80 2.302090E+006 MEK+OH=MEKCO2 - 4.380000E+004 8 OH 105 2.302094E+006 HYETHO2H+OH=HOCH2CH2O2 - 4.380000E+004 8 OH 106 2.302109E+006 HYETHO2H+OH=HOCH2CHO+OH - 4.380000E+004 8 OH 108 2.302110E+006 ETHOHNO3+OH=HOCH2CHO+NO2 - 4.380000E+004 8 OH 111 2.302110E+006 ETHGLY+OH=HOCH2CHO+HO2 - 4.380000E+004 8 OH 113 2.302115E+006 HOCH2CHO+OH=GLYOX+HO2 - 4.380000E+004 8 OH 114 2.302139E+006 HOCH2CHO+OH=HOCH2CO3 - 4.380000E+004 8 OH 116 2.302667E+006 BUT2OLOOH+OH=BUT2OLO+OH - 4.380000E+004 8 OH 117 2.302733E+006 BUT2OLOOH+OH=BUT2OLO2 - 4.380000E+004 8 OH 120 2.302749E+006 BUT2OLNO3+OH=BUT2OLO+NO2 - 4.380000E+004 8 OH 121 2.302759E+006 BUT2OLO+OH=BIACET+HO2 - 4.380000E+004 8 OH 123 2.302759E+006 BUT2OLOH+OH=BUT2OLO+HO2 - 4.380000E+004 8 OH 151 2.477609E+000 OH+CH3OOH=CH3O2 - 4.380000E+004 8 OH 152 4.066767E+000 OH+CH3OOH=HCHO+OH - 4.380000E+004 8 OH 154 6.187170E-004 OH+CH3NO3=HCHO+NO2 - 4.380000E+004 8 OH 157 2.302763E+006 CH3CO2H+OH=CH3O2 - 4.380000E+004 8 OH 158 2.302764E+006 CH3CO3H+OH=CH3CO3 - 4.380000E+004 8 OH 160 2.302765E+006 PAN+OH=HCHO+CO+NO2 - 4.380000E+004 8 OH 162 2.302767E+006 HCOCH2OOH+OH=GLYOX+OH - 4.380000E+004 8 OH 163 2.302768E+006 HCOCH2OOH+OH=HCOCH2O2 - 4.380000E+004 8 OH 171 3.476951E-001 OH+GLYOX=HCOCO - 4.380000E+004 8 OH 181 3.580702E-001 OH+BIACET=BIACETO2 - 4.380000E+004 8 OH 182 2.302771E+006 MEKAOOH+OH=CO2C3CHO+OH - 4.380000E+004 8 OH 183 2.302771E+006 MEKAOOH+OH=MEKAO2 - 4.380000E+004 8 OH 186 2.302771E+006 MEKANO3+OH=CO2C3CHO+NO2 - 4.380000E+004 8 OH 192 2.302781E+006 CO2C3CHO+OH=CO2C3CO3 - 4.380000E+004 8 OH 194 2.302781E+006 MEKAOH+OH=CO2C3CHO+HO2 - 4.380000E+004 8 OH 196 2.302782E+006 MEKBOOH+OH=BIACET+OH - 4.380000E+004 8 OH 197 2.302783E+006 MEKBOOH+OH=MEKBO2 - 4.380000E+004 8 OH 201 2.302783E+006 MEKCOOH+OH=EGLYOX+OH - 4.380000E+004 8 OH 202 2.302783E+006 MEKCOOH+OH=MEKCO2 - 4.380000E+004 8 OH 208 4.609166E-003 OH+EGLYOX=C2H5CO3+CO - 4.380000E+004 8 OH 209 2.302783E+006 MEKCOH+OH=EGLYOX+HO2 - 4.380000E+004 8 OH 212 3.978540E-002 OH+C2H5OOH=C2H5O2 - 4.380000E+004 8 OH 213 1.233127E-001 OH+C2H5OOH=CH3CHO+OH - 4.380000E+004 8 OH 215 3.911282E-004 OH+C2H5NO3=CH3CHO+NO2 - 4.380000E+004 8 OH 220 2.302783E+006 HOCH2CO2H+OH=HCHO+HO2 - 4.380000E+004 8 OH 221 2.302783E+006 HOCH2CO3H+OH=HOCH2CO3 - 4.380000E+004 8 OH 223 2.302783E+006 PHAN+OH=HCHO+CO+NO2 - 4.380000E+004 8 OH 268 8.948693E-006 OH+BIACETOOH=BIACETO2 - 4.380000E+004 8 OH 269 1.171483E-005 OH+BIACETOOH=CO23C3CHO+OH - 4.380000E+004 8 OH 272 1.035442E-008 OH+BIACETOH=CO23C3CHO+HO2 - 4.380000E+004 8 OH 276 1.300658E-007 OH+CO23C3CHO=CH3CO3+CO+CO - 4.380000E+004 8 OH 277 2.302783E+006 HOCO3C4OOH+OH=HO1CO3C4O2 - 4.380000E+004 8 OH 278 2.302784E+006 HOCO3C4OOH+OH=HO1CO3CHO+OH - 4.380000E+004 8 OH 282 2.302784E+006 HO14CO2C4+OH=HO1CO3CHO+HO2 - 4.380000E+004 8 OH 285 2.302784E+006 HO1CO3CHO+OH=HOC2H4CO3+CO - 4.380000E+004 8 OH 287 2.302784E+006 CO2C3CO3H+OH=CO2C3CO3 - 4.380000E+004 8 OH 290 2.302784E+006 CO2C3PAN+OH=MGLYOX+CO+NO2 - 4.380000E+004 8 OH 293 2.302784E+006 HYPERACET+OH=CH3COCH2O2 - 4.380000E+004 8 OH 294 2.302784E+006 HYPERACET+OH=MGLYOX+OH - 4.380000E+004 8 OH 297 2.302784E+006 ACETOL+OH=MGLYOX+HO2 - 4.380000E+004 8 OH 301 3.385760E-004 OH+MGLYOX=CH3CO3+CO - 4.380000E+004 8 OH 302 2.302784E+006 PERPROACID+OH=C2H5CO3 - 4.380000E+004 8 OH 304 2.302784E+006 PROPACID+OH=C2H5O2 - 4.380000E+004 8 OH 305 2.302784E+006 PPN+OH=CH3CHO+CO+NO2 - 4.380000E+004 8 OH 308 2.368156E-006 OH+HCOCO2H=CO+HO2 - 4.380000E+004 8 OH 311 5.266325E-006 OH+HCOCO3H=HCOCO3 - 4.380000E+004 8 OH 320 1.129650E-002 OH+HOC2H4CO2H=HOCH2CH2O2 - 4.380000E+004 8 OH 322 3.647562E-002 OH+HOC2H4CO3H=HOC2H4CO3 - 4.380000E+004 8 OH 324 8.199435E+000 OH+C3PAN1=HOCH2CHO+CO+NO2 - 4.380000E+004 9 HO2 20 2.917647E+007 HO2+O3=OH - 4.380000E+004 9 HO2 21 3.467792E+005 OH+HO2= - 4.380000E+004 9 HO2 22 3.812398E+005 HO2+HO2=H2O2 - 4.380000E+004 9 HO2 22 3.812398E+005 HO2+HO2=H2O2 - 4.380000E+004 9 HO2 23 4.070723E+005 HO2+HO2=H2O2 - 4.380000E+004 9 HO2 23 4.070723E+005 HO2+HO2=H2O2 - 4.380000E+004 9 HO2 27 2.873322E+007 HO2+NO=OH+NO2 - 4.380000E+004 9 HO2 28 1.090624E+006 HO2+NO2=HO2NO2 - 4.380000E+004 9 HO2 30 4.434273E+004 HO2+NO3=OH+NO2 - 4.380000E+004 9 HO2 64 1.665955E+006 HOCH2CH2O2+HO2=HYETHO2H - 4.380000E+004 9 HO2 71 1.669582E+006 BUT2OLO2+HO2=BUT2OLOOH - 4.380000E+004 9 HO2 82 1.669730E+006 CH3O2+HO2=CH3OOH - 4.380000E+004 9 HO2 83 1.669745E+006 CH3O2+HO2=HCHO - 4.380000E+004 9 HO2 91 1.669776E+006 CH3CO3+HO2=CH3CO2H+O3 - 4.380000E+004 9 HO2 92 1.669864E+006 CH3CO3+HO2=CH3CO3H - 4.380000E+004 9 HO2 93 1.669957E+006 CH3CO3+HO2=CH3O2+OH - 4.380000E+004 9 HO2 99 1.669987E+006 HCOCH2O2+HO2=HCOCH2OOH - 4.380000E+004 9 HO2 124 1.670008E+006 MEKAO2+HO2=MEKAOOH - 4.380000E+004 9 HO2 131 1.670029E+006 MEKBO2+HO2=MEKBOOH - 4.380000E+004 9 HO2 137 1.670033E+006 MEKCO2+HO2=MEKCOOH - 4.380000E+004 9 HO2 143 1.670036E+006 C2H5O2+HO2=C2H5OOH - 4.380000E+004 9 HO2 172 1.670036E+006 HOCH2CO3+HO2=HO2+HCHO+OH - 4.380000E+004 9 HO2 173 1.670036E+006 HOCH2CO3+HO2=HOCH2CO2H+O3 - 4.380000E+004 9 HO2 174 1.670036E+006 HOCH2CO3+HO2=HOCH2CO3H - 4.380000E+004 9 HO2 225 1.670036E+006 BIACETO2+HO2=BIACETOOH - 4.380000E+004 9 HO2 231 1.670048E+006 HO1CO3C4O2+HO2=HOCO3C4OOH - 4.380000E+004 9 HO2 237 1.670048E+006 CO2C3CO3+HO2=CH3COCH2O2+OH - 4.380000E+004 9 HO2 238 1.670048E+006 CO2C3CO3+HO2=CO2C3CO3H - 4.380000E+004 9 HO2 243 1.670048E+006 CH3COCH2O2+HO2=CH3COCH2O+OH - 4.380000E+004 9 HO2 244 1.670048E+006 CH3COCH2O2+HO2=HYPERACET - 4.380000E+004 9 HO2 250 1.670048E+006 C2H5CO3+HO2=C2H5O2+OH - 4.380000E+004 9 HO2 251 1.670049E+006 C2H5CO3+HO2=PERPROACID - 4.380000E+004 9 HO2 252 1.670049E+006 C2H5CO3+HO2=PROPACID+O3 - 4.380000E+004 9 HO2 258 1.670049E+006 HCOCO3+HO2=HCOCO2H+O3 - 4.380000E+004 9 HO2 259 1.670049E+006 HCOCO3+HO2=HCOCO3H - 4.380000E+004 9 HO2 260 1.670049E+006 HCOCO3+HO2=HO2+CO+OH - 4.380000E+004 9 HO2 312 1.670049E+006 HOC2H4CO3+HO2=HOC2H4CO2H+O3 - 4.380000E+004 9 HO2 313 1.670050E+006 HOC2H4CO3+HO2=HOC2H4CO3H - 4.380000E+004 9 HO2 314 1.670051E+006 HOC2H4CO3+HO2=HOCH2CH2O2+OH + 4.380000E+004 8 OH 49 2.126996E+006 CH3OH+OH=HO2+HCHO + 4.380000E+004 8 OH 50 2.129734E+006 C2H5OH+OH=C2H5O + 4.380000E+004 8 OH 51 2.179008E+006 C2H5OH+OH=CH3CHO+HO2 + 4.380000E+004 8 OH 52 2.181746E+006 C2H5OH+OH=HOCH2CH2O2 + 4.380000E+004 8 OH 53 2.220177E+006 BUT2OL+OH=BUT2OLO2 + 4.380000E+004 8 OH 54 2.288204E+006 BUT2OL+OH=MEK+HO2 + 4.380000E+004 8 OH 58 3.566482E+003 OH+HCHO=HO2+CO + 4.380000E+004 8 OH 62 1.119656E+004 OH+CH3CHO=CH3CO3 + 4.380000E+004 8 OH 63 1.178038E+004 OH+CH3CHO=HCOCH2O2 + 4.380000E+004 8 OH 78 2.302687E+006 MEK+OH=MEKAO2 + 4.380000E+004 8 OH 79 2.302950E+006 MEK+OH=MEKBO2 + 4.380000E+004 8 OH 80 2.302995E+006 MEK+OH=MEKCO2 + 4.380000E+004 8 OH 105 2.302999E+006 HYETHO2H+OH=HOCH2CH2O2 + 4.380000E+004 8 OH 106 2.303015E+006 HYETHO2H+OH=HOCH2CHO+OH + 4.380000E+004 8 OH 108 2.303015E+006 ETHOHNO3+OH=HOCH2CHO+NO2 + 4.380000E+004 8 OH 111 2.303015E+006 ETHGLY+OH=HOCH2CHO+HO2 + 4.380000E+004 8 OH 113 2.303021E+006 HOCH2CHO+OH=GLYOX+HO2 + 4.380000E+004 8 OH 114 2.303045E+006 HOCH2CHO+OH=HOCH2CO3 + 4.380000E+004 8 OH 116 2.303578E+006 BUT2OLOOH+OH=BUT2OLO+OH + 4.380000E+004 8 OH 117 2.303645E+006 BUT2OLOOH+OH=BUT2OLO2 + 4.380000E+004 8 OH 120 2.303661E+006 BUT2OLNO3+OH=BUT2OLO+NO2 + 4.380000E+004 8 OH 121 2.303671E+006 BUT2OLO+OH=BIACET+HO2 + 4.380000E+004 8 OH 123 2.303671E+006 BUT2OLOH+OH=BUT2OLO+HO2 + 4.380000E+004 8 OH 151 2.530697E+000 OH+CH3OOH=CH3O2 + 4.380000E+004 8 OH 152 4.153935E+000 OH+CH3OOH=HCHO+OH + 4.380000E+004 8 OH 154 6.309296E-004 OH+CH3NO3=HCHO+NO2 + 4.380000E+004 8 OH 157 2.303676E+006 CH3CO2H+OH=CH3O2 + 4.380000E+004 8 OH 158 2.303677E+006 CH3CO3H+OH=CH3CO3 + 4.380000E+004 8 OH 160 2.303677E+006 PAN+OH=HCHO+CO+NO2 + 4.380000E+004 8 OH 162 2.303680E+006 HCOCH2OOH+OH=GLYOX+OH + 4.380000E+004 8 OH 163 2.303680E+006 HCOCH2OOH+OH=HCOCH2O2 + 4.380000E+004 8 OH 171 3.544993E-001 OH+GLYOX=HCOCO + 4.380000E+004 8 OH 181 3.677611E-001 OH+BIACET=BIACETO2 + 4.380000E+004 8 OH 182 2.303683E+006 MEKAOOH+OH=CO2C3CHO+OH + 4.380000E+004 8 OH 183 2.303683E+006 MEKAOOH+OH=MEKAO2 + 4.380000E+004 8 OH 186 2.303683E+006 MEKANO3+OH=CO2C3CHO+NO2 + 4.380000E+004 8 OH 192 2.303694E+006 CO2C3CHO+OH=CO2C3CO3 + 4.380000E+004 8 OH 194 2.303694E+006 MEKAOH+OH=CO2C3CHO+HO2 + 4.380000E+004 8 OH 196 2.303695E+006 MEKBOOH+OH=BIACET+OH + 4.380000E+004 8 OH 197 2.303695E+006 MEKBOOH+OH=MEKBO2 + 4.380000E+004 8 OH 201 2.303695E+006 MEKCOOH+OH=EGLYOX+OH + 4.380000E+004 8 OH 202 2.303695E+006 MEKCOOH+OH=MEKCO2 + 4.380000E+004 8 OH 208 4.733979E-003 OH+EGLYOX=C2H5CO3+CO + 4.380000E+004 8 OH 209 2.303695E+006 MEKCOH+OH=EGLYOX+HO2 + 4.380000E+004 8 OH 212 4.054760E-002 OH+C2H5OOH=C2H5O2 + 4.380000E+004 8 OH 213 1.256777E-001 OH+C2H5OOH=CH3CHO+OH + 4.380000E+004 8 OH 215 3.979669E-004 OH+C2H5NO3=CH3CHO+NO2 + 4.380000E+004 8 OH 220 2.303695E+006 HOCH2CO2H+OH=HCHO+HO2 + 4.380000E+004 8 OH 221 2.303695E+006 HOCH2CO3H+OH=HOCH2CO3 + 4.380000E+004 8 OH 223 2.303696E+006 PHAN+OH=HCHO+CO+NO2 + 4.380000E+004 8 OH 268 9.306477E-006 OH+BIACETOOH=BIACETO2 + 4.380000E+004 8 OH 269 1.218435E-005 OH+BIACETOOH=CO23C3CHO+OH + 4.380000E+004 8 OH 272 1.077676E-008 OH+BIACETOH=CO23C3CHO+HO2 + 4.380000E+004 8 OH 276 1.360236E-007 OH+CO23C3CHO=CH3CO3+CO+CO + 4.380000E+004 8 OH 277 2.303696E+006 HOCO3C4OOH+OH=HO1CO3C4O2 + 4.380000E+004 8 OH 278 2.303696E+006 HOCO3C4OOH+OH=HO1CO3CHO+OH + 4.380000E+004 8 OH 282 2.303696E+006 HO14CO2C4+OH=HO1CO3CHO+HO2 + 4.380000E+004 8 OH 285 2.303696E+006 HO1CO3CHO+OH=HOC2H4CO3+CO + 4.380000E+004 8 OH 287 2.303696E+006 CO2C3CO3H+OH=CO2C3CO3 + 4.380000E+004 8 OH 290 2.303696E+006 CO2C3PAN+OH=MGLYOX+CO+NO2 + 4.380000E+004 8 OH 293 2.303696E+006 HYPERACET+OH=CH3COCH2O2 + 4.380000E+004 8 OH 294 2.303696E+006 HYPERACET+OH=MGLYOX+OH + 4.380000E+004 8 OH 297 2.303696E+006 ACETOL+OH=MGLYOX+HO2 + 4.380000E+004 8 OH 301 3.504987E-004 OH+MGLYOX=CH3CO3+CO + 4.380000E+004 8 OH 302 2.303696E+006 PERPROACID+OH=C2H5CO3 + 4.380000E+004 8 OH 304 2.303696E+006 PROPACID+OH=C2H5O2 + 4.380000E+004 8 OH 305 2.303696E+006 PPN+OH=CH3CHO+CO+NO2 + 4.380000E+004 8 OH 308 2.436625E-006 OH+HCOCO2H=CO+HO2 + 4.380000E+004 8 OH 311 5.419304E-006 OH+HCOCO3H=HCOCO3 + 4.380000E+004 8 OH 320 1.154736E-002 OH+HOC2H4CO2H=HOCH2CH2O2 + 4.380000E+004 8 OH 322 3.728109E-002 OH+HOC2H4CO3H=HOC2H4CO3 + 4.380000E+004 8 OH 324 8.360653E+000 OH+C3PAN1=HOCH2CHO+CO+NO2 + 4.380000E+004 9 HO2 20 2.916276E+007 HO2+O3=OH + 4.380000E+004 9 HO2 21 3.470779E+005 OH+HO2= + 4.380000E+004 9 HO2 22 3.815855E+005 HO2+HO2=H2O2 + 4.380000E+004 9 HO2 22 3.815855E+005 HO2+HO2=H2O2 + 4.380000E+004 9 HO2 23 4.074532E+005 HO2+HO2=H2O2 + 4.380000E+004 9 HO2 23 4.074532E+005 HO2+HO2=H2O2 + 4.380000E+004 9 HO2 27 2.871901E+007 HO2+NO=OH+NO2 + 4.380000E+004 9 HO2 28 1.090570E+006 HO2+NO2=HO2NO2 + 4.380000E+004 9 HO2 30 4.430446E+004 HO2+NO3=OH+NO2 + 4.380000E+004 9 HO2 64 1.666551E+006 HOCH2CH2O2+HO2=HYETHO2H + 4.380000E+004 9 HO2 71 1.670182E+006 BUT2OLO2+HO2=BUT2OLOOH + 4.380000E+004 9 HO2 82 1.670332E+006 CH3O2+HO2=CH3OOH + 4.380000E+004 9 HO2 83 1.670347E+006 CH3O2+HO2=HCHO + 4.380000E+004 9 HO2 91 1.670379E+006 CH3CO3+HO2=CH3CO2H+O3 + 4.380000E+004 9 HO2 92 1.670467E+006 CH3CO3+HO2=CH3CO3H + 4.380000E+004 9 HO2 93 1.670561E+006 CH3CO3+HO2=CH3O2+OH + 4.380000E+004 9 HO2 99 1.670591E+006 HCOCH2O2+HO2=HCOCH2OOH + 4.380000E+004 9 HO2 124 1.670613E+006 MEKAO2+HO2=MEKAOOH + 4.380000E+004 9 HO2 131 1.670634E+006 MEKBO2+HO2=MEKBOOH + 4.380000E+004 9 HO2 137 1.670638E+006 MEKCO2+HO2=MEKCOOH + 4.380000E+004 9 HO2 143 1.670641E+006 C2H5O2+HO2=C2H5OOH + 4.380000E+004 9 HO2 172 1.670641E+006 HOCH2CO3+HO2=HO2+HCHO+OH + 4.380000E+004 9 HO2 173 1.670641E+006 HOCH2CO3+HO2=HOCH2CO2H+O3 + 4.380000E+004 9 HO2 174 1.670641E+006 HOCH2CO3+HO2=HOCH2CO3H + 4.380000E+004 9 HO2 225 1.670641E+006 BIACETO2+HO2=BIACETOOH + 4.380000E+004 9 HO2 231 1.670653E+006 HO1CO3C4O2+HO2=HOCO3C4OOH + 4.380000E+004 9 HO2 237 1.670653E+006 CO2C3CO3+HO2=CH3COCH2O2+OH + 4.380000E+004 9 HO2 238 1.670653E+006 CO2C3CO3+HO2=CO2C3CO3H + 4.380000E+004 9 HO2 243 1.670653E+006 CH3COCH2O2+HO2=CH3COCH2O+OH + 4.380000E+004 9 HO2 244 1.670653E+006 CH3COCH2O2+HO2=HYPERACET + 4.380000E+004 9 HO2 250 1.670654E+006 C2H5CO3+HO2=C2H5O2+OH + 4.380000E+004 9 HO2 251 1.670654E+006 C2H5CO3+HO2=PERPROACID + 4.380000E+004 9 HO2 252 1.670654E+006 C2H5CO3+HO2=PROPACID+O3 + 4.380000E+004 9 HO2 258 1.670654E+006 HCOCO3+HO2=HCOCO2H+O3 + 4.380000E+004 9 HO2 259 1.670654E+006 HCOCO3+HO2=HCOCO3H + 4.380000E+004 9 HO2 260 1.670654E+006 HCOCO3+HO2=HO2+CO+OH + 4.380000E+004 9 HO2 312 1.670654E+006 HOC2H4CO3+HO2=HOC2H4CO2H+O3 + 4.380000E+004 9 HO2 313 1.670655E+006 HOC2H4CO3+HO2=HOC2H4CO3H + 4.380000E+004 9 HO2 314 1.670656E+006 HOC2H4CO3+HO2=HOCH2CH2O2+OH diff --git a/travis/tests/short_ext3/output/mainSolverParameters.output.cmp b/travis/tests/short_ext3/output/mainSolverParameters.output.cmp index 87ffc2934..710dbada4 100644 --- a/travis/tests/short_ext3/output/mainSolverParameters.output.cmp +++ b/travis/tests/short_ext3/output/mainSolverParameters.output.cmp @@ -1,4 +1,4 @@ t currentStepSize previousStepSize LENRW LENIW NST NFE NETF NCFN NNI NSETUPS QU QCUR NOR LENRWLS LENIWLS LS_FLAG NFELS NJTV NPE NPS NLI NCFL - 4.35E+04 2.59163027E+001 2.59163027E+001 1129 50 121 148 2 0 147 39 5 5 0 21321 105 0 219 219 3 345 219 0 - 4.38E+04 3.96904374E+001 3.96904374E+001 1129 50 131 160 2 0 159 40 4 4 0 21321 105 0 255 255 3 393 255 0 - 4.41E+04 6.68225997E+001 6.68225997E+001 1129 50 136 165 2 0 164 41 4 4 0 21321 105 0 274 274 3 417 274 0 + 4.35E+04 3.03522631E+001 1.97103060E+001 1129 50 124 153 3 0 152 40 4 4 0 21533 117 0 136 136 3 263 136 0 + 4.38E+04 4.69809415E+001 4.69809415E+001 1129 50 133 162 3 0 161 42 4 4 0 21533 117 0 151 151 3 287 151 0 + 4.41E+04 7.19243006E+001 7.19243006E+001 1129 50 138 167 3 0 166 43 4 4 0 21533 117 0 160 160 3 301 160 0 diff --git a/travis/tests/short_ext3/output/photolysisRates.output.cmp b/travis/tests/short_ext3/output/photolysisRates.output.cmp index be8ca2ca8..317919aab 100644 --- a/travis/tests/short_ext3/output/photolysisRates.output.cmp +++ b/travis/tests/short_ext3/output/photolysisRates.output.cmp @@ -1,4 +1,4 @@ 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 - 4.350000E+004 9.763185E-006 3.499878E-004 4.217001E-006 6.329154E-003 1.866519E-002 1.282841E-001 1.370822E-003 2.691207E-007 1.613933E-005 2.954145E-005 1.775831E-006 8.342257E-006 9.727051E-006 5.835534E-006 2.695553E-005 6.991466E-007 6.991466E-007 3.585367E-004 2.019498E-007 1.603347E-006 1.148526E-006 1.148241E-006 4.458090E-005 6.721328E-006 1.519727E-005 9.665085E-005 2.091791E-004 3.171616E-006 4.699853E-007 5.203886E-007 7.055411E-007 1.246344E-006 3.780706E-006 1.328717E-005 3.548343E-004 - 4.380000E+004 9.755313E-006 3.499397E-004 4.215399E-006 6.327739E-003 1.866309E-002 1.282691E-001 1.370492E-003 2.689717E-007 1.613234E-005 2.953177E-005 1.774755E-006 8.337826E-006 9.722788E-006 5.832977E-006 2.694367E-005 6.989450E-007 6.989450E-007 3.584333E-004 2.018200E-007 1.602466E-006 1.148196E-006 1.147912E-006 4.457414E-005 6.720309E-006 1.519160E-005 9.663461E-005 2.091446E-004 3.170451E-006 4.697333E-007 5.200900E-007 7.051496E-007 1.245694E-006 3.778910E-006 1.328028E-005 3.547268E-004 - 4.410000E+004 9.733081E-006 3.498038E-004 4.210869E-006 6.323735E-003 1.865717E-002 1.282264E-001 1.369560E-003 2.685505E-007 1.611259E-005 2.950443E-005 1.771715E-006 8.325307E-006 9.710742E-006 5.825750E-006 2.691017E-005 6.983751E-007 6.983751E-007 3.581411E-004 2.014533E-007 1.599977E-006 1.147264E-006 1.146981E-006 4.455503E-005 6.717427E-006 1.517555E-005 9.658870E-005 2.090470E-004 3.167159E-006 4.690212E-007 5.192465E-007 7.040435E-007 1.243857E-006 3.773835E-006 1.326080E-005 3.544231E-004 + 4.350000E+004 9.763188E-006 3.499878E-004 4.217002E-006 6.329155E-003 1.866519E-002 1.282841E-001 1.370822E-003 2.691208E-007 1.613933E-005 2.954145E-005 1.775831E-006 8.342259E-006 9.727053E-006 5.835535E-006 2.695553E-005 6.991467E-007 6.991467E-007 3.585368E-004 2.019498E-007 1.603347E-006 1.148526E-006 1.148241E-006 4.458091E-005 6.721329E-006 1.519728E-005 9.665085E-005 2.091791E-004 3.171616E-006 4.699854E-007 5.203887E-007 7.055412E-007 1.246344E-006 3.780706E-006 1.328717E-005 3.548343E-004 + 4.380000E+004 9.755102E-006 3.499384E-004 4.215356E-006 6.327701E-003 1.866304E-002 1.282687E-001 1.370483E-003 2.689677E-007 1.613216E-005 2.953152E-005 1.774726E-006 8.337708E-006 9.722674E-006 5.832908E-006 2.694336E-005 6.989396E-007 6.989396E-007 3.584306E-004 2.018165E-007 1.602443E-006 1.148187E-006 1.147903E-006 4.457396E-005 6.720282E-006 1.519145E-005 9.663417E-005 2.091436E-004 3.170420E-006 4.697265E-007 5.200820E-007 7.051391E-007 1.245677E-006 3.778862E-006 1.328009E-005 3.547240E-004 + 4.410000E+004 9.732405E-006 3.497997E-004 4.210731E-006 6.323613E-003 1.865699E-002 1.282251E-001 1.369531E-003 2.685377E-007 1.611199E-005 2.950360E-005 1.771623E-006 8.324926E-006 9.710375E-006 5.825530E-006 2.690915E-005 6.983578E-007 6.983578E-007 3.581322E-004 2.014421E-007 1.599901E-006 1.147236E-006 1.146952E-006 4.455445E-005 6.717340E-006 1.517506E-005 9.658730E-005 2.090440E-004 3.167059E-006 4.689995E-007 5.192208E-007 7.040098E-007 1.243801E-006 3.773680E-006 1.326021E-005 3.544138E-004 diff --git a/travis/tests/short_ext3/output/photolysisRatesParameters.output.cmp b/travis/tests/short_ext3/output/photolysisRatesParameters.output.cmp index 1a6f7433e..308244d23 100644 --- a/travis/tests/short_ext3/output/photolysisRatesParameters.output.cmp +++ b/travis/tests/short_ext3/output/photolysisRatesParameters.output.cmp @@ -1,4 +1,4 @@ t latitude longitude secx cosx lha sinld cosld eqtime 4.320000E+004 4.920000E+001 -2.100000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 - 4.350000E+004 4.920000E+001 -2.100000E+000 1.765631E+000 5.663697E-001 -4.993461E-004 -8.310163E-002 6.494714E-001 -5.896914E-002 - 4.380000E+004 4.920000E+001 -2.100000E+000 1.766183E+000 5.661926E-001 2.335594E-002 -8.310163E-002 6.494714E-001 -5.896914E-002 + 4.350000E+004 4.920000E+001 -2.100000E+000 1.765631E+000 5.663698E-001 1.728861E-004 -8.310163E-002 6.494714E-001 -5.896914E-002 + 4.380000E+004 4.920000E+001 -2.100000E+000 1.766198E+000 5.661879E-001 2.366621E-002 -8.310163E-002 6.494714E-001 -5.896914E-002 diff --git a/travis/tests/short_ext3/output/productionRates.output.cmp b/travis/tests/short_ext3/output/productionRates.output.cmp index bc9038100..7d4d5e615 100644 --- a/travis/tests/short_ext3/output/productionRates.output.cmp +++ b/travis/tests/short_ext3/output/productionRates.output.cmp @@ -1,116 +1,116 @@ time speciesNumber speciesName reactionNumber rate - 4.380000E+004 8 OH 15 1.036823E+006 O1D=OH+OH - 4.380000E+004 8 OH 15 1.036823E+006 O1D=OH+OH - 4.380000E+004 8 OH 20 2.161390E+005 HO2+O3=OH - 4.380000E+004 8 OH 27 1.929566E+006 HO2+NO=OH+NO2 - 4.380000E+004 8 OH 30 7.855709E+002 HO2+NO3=OH+NO2 - 4.380000E+004 8 OH 41 1.034915E+002 H2O2=OH+OH - 4.380000E+004 8 OH 41 1.034915E+002 H2O2=OH+OH - 4.380000E+004 8 OH 45 1.712560E+005 HONO=OH+NO - 4.380000E+004 8 OH 46 1.781057E+002 HNO3=OH+NO2 - 4.380000E+004 8 OH 93 1.871764E+002 CH3CO3+HO2=CH3O2+OH - 4.380000E+004 8 OH 106 3.144392E+001 HYETHO2H+OH=HOCH2CHO+OH - 4.380000E+004 8 OH 107 5.375534E-001 HYETHO2H=HOCH2CH2O+OH - 4.380000E+004 8 OH 116 1.056268E+003 BUT2OLOOH+OH=BUT2OLO+OH - 4.380000E+004 8 OH 118 8.622641E+000 BUT2OLOOH=BUT2OLAO+OH - 4.380000E+004 8 OH 150 1.877465E-001 CH3OOH=CH3O+OH - 4.380000E+004 8 OH 152 3.178315E+000 OH+CH3OOH=HCHO+OH - 4.380000E+004 8 OH 159 1.254888E-001 CH3CO3H=CH3O2+OH - 4.380000E+004 8 OH 162 4.689624E+000 HCOCH2OOH+OH=GLYOX+OH - 4.380000E+004 8 OH 164 3.801973E-002 HCOCH2OOH=HCOCH2O+OH - 4.380000E+004 8 OH 165 2.331894E-001 HCOCH2OOH=HO2+CO+HCHO+OH - 4.380000E+004 8 OH 172 5.858401E-001 HOCH2CO3+HO2=HO2+HCHO+OH - 4.380000E+004 8 OH 182 5.570489E+000 MEKAOOH+OH=CO2C3CHO+OH - 4.380000E+004 8 OH 184 2.693007E-002 MEKAOOH=MEKAO+OH - 4.380000E+004 8 OH 185 1.361148E-002 MEKAOOH=MEKAO+OH - 4.380000E+004 8 OH 196 2.294107E+000 MEKBOOH+OH=BIACET+OH - 4.380000E+004 8 OH 198 2.182623E-002 MEKBOOH=CH3CO3+CH3CHO+OH - 4.380000E+004 8 OH 199 2.878855E-002 MEKBOOH=MEKBO+OH - 4.380000E+004 8 OH 201 2.030312E-001 MEKCOOH+OH=EGLYOX+OH - 4.380000E+004 8 OH 203 3.802615E-003 MEKCOOH=C2H5CO3+HCHO+OH - 4.380000E+004 8 OH 204 5.015605E-003 MEKCOOH=MEKCO+OH - 4.380000E+004 8 OH 211 4.920282E-003 C2H5OOH=C2H5O+OH - 4.380000E+004 8 OH 213 1.670547E-001 OH+C2H5OOH=CH3CHO+OH - 4.380000E+004 8 OH 218 2.507180E-001 HCOCO=CO+OH - 4.380000E+004 8 OH 222 3.701688E-004 HOCH2CO3H=HCHO+HO2+OH - 4.380000E+004 8 OH 237 1.620324E-001 CO2C3CO3+HO2=CH3COCH2O2+OH - 4.380000E+004 8 OH 243 5.518250E-002 CH3COCH2O2+HO2=CH3COCH2O+OH - 4.380000E+004 8 OH 250 5.144733E-001 C2H5CO3+HO2=C2H5O2+OH - 4.380000E+004 8 OH 260 5.288866E-004 HCOCO3+HO2=HO2+CO+OH - 4.380000E+004 8 OH 266 2.178920E-007 BIACETOOH=BIACETO+OH - 4.380000E+004 8 OH 267 1.437364E-005 BIACETOOH=BIACETO+OH - 4.380000E+004 8 OH 269 5.532279E-006 OH+BIACETOOH=CO23C3CHO+OH - 4.380000E+004 8 OH 278 1.281015E+000 HOCO3C4OOH+OH=HO1CO3CHO+OH - 4.380000E+004 8 OH 279 1.399151E-002 HOCO3C4OOH=HO1CO3C4O+OH - 4.380000E+004 8 OH 280 7.071837E-003 HOCO3C4OOH=HO1CO3C4O+OH - 4.380000E+004 8 OH 288 1.008729E-004 CO2C3CO3H=CH3COCH2O2+OH - 4.380000E+004 8 OH 289 5.098498E-005 CO2C3CO3H=CH3COCH2O2+OH - 4.380000E+004 8 OH 294 4.889508E-003 HYPERACET+OH=MGLYOX+OH - 4.380000E+004 8 OH 295 1.042380E-004 HYPERACET=CH3CO3+HCHO+OH - 4.380000E+004 8 OH 296 1.374887E-004 HYPERACET=CH3COCH2O+OH - 4.380000E+004 8 OH 303 3.326333E-004 PERPROACID=C2H5O2+OH - 4.380000E+004 8 OH 309 2.223997E-007 HCOCO3H=HO2+CO+OH - 4.380000E+004 8 OH 310 6.820307E-007 HCOCO3H=HO2+CO+OH - 4.380000E+004 8 OH 314 1.754187E+000 HOC2H4CO3+HO2=HOCH2CH2O2+OH - 4.380000E+004 8 OH 321 9.814498E-004 HOC2H4CO3H=HOCH2CH2O2+OH - 4.380000E+004 9 HO2 16 1.195273E+006 OH+O3=HO2 - 4.380000E+004 9 HO2 17 1.738094E-002 OH+H2=HO2 - 4.380000E+004 9 HO2 18 3.353630E+000 OH+CO=HO2 - 4.380000E+004 9 HO2 19 2.806515E+002 OH+H2O2=HO2 - 4.380000E+004 9 HO2 26 5.997165E+002 OH+NO3=HO2+NO2 + 4.380000E+004 8 OH 15 1.036797E+006 O1D=OH+OH + 4.380000E+004 8 OH 15 1.036797E+006 O1D=OH+OH + 4.380000E+004 8 OH 20 2.162855E+005 HO2+O3=OH + 4.380000E+004 8 OH 27 1.929884E+006 HO2+NO=OH+NO2 + 4.380000E+004 8 OH 30 7.858171E+002 HO2+NO3=OH+NO2 + 4.380000E+004 8 OH 41 1.045845E+002 H2O2=OH+OH + 4.380000E+004 8 OH 41 1.045845E+002 H2O2=OH+OH + 4.380000E+004 8 OH 45 1.721567E+005 HONO=OH+NO + 4.380000E+004 8 OH 46 1.794528E+002 HNO3=OH+NO2 + 4.380000E+004 8 OH 93 1.890631E+002 CH3CO3+HO2=CH3O2+OH + 4.380000E+004 8 OH 106 3.178572E+001 HYETHO2H+OH=HOCH2CHO+OH + 4.380000E+004 8 OH 107 5.431291E-001 HYETHO2H=HOCH2CH2O+OH + 4.380000E+004 8 OH 116 1.067079E+003 BUT2OLOOH+OH=BUT2OLO+OH + 4.380000E+004 8 OH 118 8.706603E+000 BUT2OLOOH=BUT2OLAO+OH + 4.380000E+004 8 OH 150 1.916785E-001 CH3OOH=CH3O+OH + 4.380000E+004 8 OH 152 3.246476E+000 OH+CH3OOH=HCHO+OH + 4.380000E+004 8 OH 159 1.277980E-001 CH3CO3H=CH3O2+OH + 4.380000E+004 8 OH 162 4.782128E+000 HCOCH2OOH+OH=GLYOX+OH + 4.380000E+004 8 OH 164 3.875059E-002 HCOCH2OOH=HCOCH2O+OH + 4.380000E+004 8 OH 165 2.376716E-001 HCOCH2OOH=HO2+CO+HCHO+OH + 4.380000E+004 8 OH 172 5.922596E-001 HOCH2CO3+HO2=HO2+HCHO+OH + 4.380000E+004 8 OH 182 5.674016E+000 MEKAOOH+OH=CO2C3CHO+OH + 4.380000E+004 8 OH 184 2.741706E-002 MEKAOOH=MEKAO+OH + 4.380000E+004 8 OH 185 1.385755E-002 MEKAOOH=MEKAO+OH + 4.380000E+004 8 OH 196 2.337890E+000 MEKBOOH+OH=BIACET+OH + 4.380000E+004 8 OH 198 2.223173E-002 MEKBOOH=CH3CO3+CH3CHO+OH + 4.380000E+004 8 OH 199 2.932354E-002 MEKBOOH=MEKBO+OH + 4.380000E+004 8 OH 201 2.069385E-001 MEKCOOH+OH=EGLYOX+OH + 4.380000E+004 8 OH 203 3.873868E-003 MEKCOOH=C2H5CO3+HCHO+OH + 4.380000E+004 8 OH 204 5.109612E-003 MEKCOOH=MEKCO+OH + 4.380000E+004 8 OH 211 5.012227E-003 C2H5OOH=C2H5O+OH + 4.380000E+004 8 OH 213 1.702602E-001 OH+C2H5OOH=CH3CHO+OH + 4.380000E+004 8 OH 218 2.554528E-001 HCOCO=CO+OH + 4.380000E+004 8 OH 222 3.773463E-004 HOCH2CO3H=HCHO+HO2+OH + 4.380000E+004 8 OH 237 1.650401E-001 CO2C3CO3+HO2=CH3COCH2O2+OH + 4.380000E+004 8 OH 243 5.634858E-002 CH3COCH2O2+HO2=CH3COCH2O+OH + 4.380000E+004 8 OH 250 5.199505E-001 C2H5CO3+HO2=C2H5O2+OH + 4.380000E+004 8 OH 260 5.397927E-004 HCOCO3+HO2=HO2+CO+OH + 4.380000E+004 8 OH 266 2.265821E-007 BIACETOOH=BIACETO+OH + 4.380000E+004 8 OH 267 1.494698E-005 BIACETOOH=BIACETO+OH + 4.380000E+004 8 OH 269 5.755754E-006 OH+BIACETOOH=CO23C3CHO+OH + 4.380000E+004 8 OH 278 1.308084E+000 HOCO3C4OOH+OH=HO1CO3CHO+OH + 4.380000E+004 8 OH 279 1.428012E-002 HOCO3C4OOH=HO1CO3C4O+OH + 4.380000E+004 8 OH 280 7.217679E-003 HOCO3C4OOH=HO1CO3C4O+OH + 4.380000E+004 8 OH 288 1.035964E-004 CO2C3CO3H=CH3COCH2O2+OH + 4.380000E+004 8 OH 289 5.236130E-005 CO2C3CO3H=CH3COCH2O2+OH + 4.380000E+004 8 OH 294 5.041088E-003 HYPERACET+OH=MGLYOX+OH + 4.380000E+004 8 OH 295 1.074161E-004 HYPERACET=CH3CO3+HCHO+OH + 4.380000E+004 8 OH 296 1.416812E-004 HYPERACET=CH3COCH2O+OH + 4.380000E+004 8 OH 303 3.390260E-004 PERPROACID=C2H5O2+OH + 4.380000E+004 8 OH 309 2.287538E-007 HCOCO3H=HO2+CO+OH + 4.380000E+004 8 OH 310 7.015156E-007 HCOCO3H=HO2+CO+OH + 4.380000E+004 8 OH 314 1.776674E+000 HOC2H4CO3+HO2=HOCH2CH2O2+OH + 4.380000E+004 8 OH 321 1.002635E-003 HOC2H4CO3H=HOCH2CH2O2+OH + 4.380000E+004 9 HO2 16 1.195845E+006 OH+O3=HO2 + 4.380000E+004 9 HO2 17 1.765419E-002 OH+H2=HO2 + 4.380000E+004 9 HO2 18 3.408948E+000 OH+CO=HO2 + 4.380000E+004 9 HO2 19 2.837554E+002 OH+H2O2=HO2 + 4.380000E+004 9 HO2 26 5.997852E+002 OH+NO3=HO2+NO2 4.380000E+004 9 HO2 35 0.000000E+000 HSO3=HO2+SO3 - 4.380000E+004 9 HO2 48 5.859158E+005 HO2NO2=HO2+NO2 - 4.380000E+004 9 HO2 49 7.469757E+004 CH3OH+OH=HO2+HCHO - 4.380000E+004 9 HO2 51 9.852004E+004 C2H5OH+OH=CH3CHO+HO2 - 4.380000E+004 9 HO2 54 1.360557E+005 BUT2OL+OH=MEK+HO2 - 4.380000E+004 9 HO2 55 1.073258E+003 HCHO=CO+HO2+HO2 - 4.380000E+004 9 HO2 55 1.073258E+003 HCHO=CO+HO2+HO2 - 4.380000E+004 9 HO2 57 4.082238E-002 NO3+HCHO=HNO3+CO+HO2 - 4.380000E+004 9 HO2 58 5.047762E+003 OH+HCHO=HO2+CO - 4.380000E+004 9 HO2 59 5.590511E+003 C2H5O=CH3CHO+HO2 - 4.380000E+004 9 HO2 60 3.090683E+002 CH3CHO=CH3O2+HO2+CO - 4.380000E+004 9 HO2 109 6.073308E+003 HOCH2CH2O=HO2+HCHO+HCHO - 4.380000E+004 9 HO2 110 9.361875E+002 HOCH2CH2O=HO2+HOCH2CHO - 4.380000E+004 9 HO2 111 4.017442E-002 ETHGLY+OH=HOCH2CHO+HO2 - 4.380000E+004 9 HO2 113 1.185245E+001 HOCH2CHO+OH=GLYOX+HO2 - 4.380000E+004 9 HO2 115 8.575149E+000 HOCH2CHO=HO2+HCHO+HO2+CO - 4.380000E+004 9 HO2 115 8.575149E+000 HOCH2CHO=HO2+HCHO+HO2+CO - 4.380000E+004 9 HO2 119 9.908052E+004 BUT2OLAO=CH3CHO+CH3CHO+HO2 - 4.380000E+004 9 HO2 121 1.963925E+001 BUT2OLO+OH=BIACET+HO2 - 4.380000E+004 9 HO2 122 5.994464E-001 BUT2OLO=CH3CO3+CH3CHO+HO2 - 4.380000E+004 9 HO2 123 3.381004E-001 BUT2OLOH+OH=BUT2OLO+HO2 - 4.380000E+004 9 HO2 155 7.128126E+003 CH3O=HCHO+HO2 - 4.380000E+004 9 HO2 165 2.331894E-001 HCOCH2OOH=HO2+CO+HCHO+OH - 4.380000E+004 9 HO2 166 1.365621E+003 HCOCH2O=HCHO+CO+HO2 - 4.380000E+004 9 HO2 168 1.078602E-001 GLYOX=CO+CO+HO2+HO2 - 4.380000E+004 9 HO2 168 1.078602E-001 GLYOX=CO+CO+HO2+HO2 - 4.380000E+004 9 HO2 172 5.858401E-001 HOCH2CO3+HO2=HO2+HCHO+OH - 4.380000E+004 9 HO2 175 2.825657E+001 HOCH2CO3+NO=NO2+HO2+HCHO - 4.380000E+004 9 HO2 177 4.952987E-003 HOCH2CO3+NO3=NO2+HO2+HCHO - 4.380000E+004 9 HO2 178 1.978949E-002 HOCH2CO3=HCHO+HO2 - 4.380000E+004 9 HO2 189 9.809331E+001 MEKAO=CO2C3CHO+HO2 - 4.380000E+004 9 HO2 194 1.984590E-003 MEKAOH+OH=CO2C3CHO+HO2 - 4.380000E+004 9 HO2 206 4.714192E-003 EGLYOX=C2H5CO3+CO+HO2 - 4.380000E+004 9 HO2 209 8.881346E-005 MEKCOH+OH=EGLYOX+HO2 - 4.380000E+004 9 HO2 210 4.617888E-006 MEKCOH=C2H5CO3+HCHO+HO2 - 4.380000E+004 9 HO2 216 1.018019E-001 HCOCO=CO+CO+HO2 - 4.380000E+004 9 HO2 217 1.398896E-001 HCOCO=CO+CO+HO2 - 4.380000E+004 9 HO2 220 1.116315E-003 HOCH2CO2H+OH=HCHO+HO2 - 4.380000E+004 9 HO2 222 3.701688E-004 HOCH2CO3H=HCHO+HO2+OH - 4.380000E+004 9 HO2 260 5.288866E-004 HCOCO3+HO2=HO2+CO+OH - 4.380000E+004 9 HO2 261 2.550956E-002 HCOCO3+NO=HO2+CO+NO2 - 4.380000E+004 9 HO2 262 3.998838E-002 HCOCO3+NO2=HO2+CO+NO3 - 4.380000E+004 9 HO2 263 4.471474E-006 HCOCO3+NO3=HO2+CO+NO2 - 4.380000E+004 9 HO2 264 1.786562E-005 HCOCO3=CO+HO2 - 4.380000E+004 9 HO2 272 3.051947E-009 OH+BIACETOH=CO23C3CHO+HO2 - 4.380000E+004 9 HO2 273 1.067220E-007 CO23C3CHO=CH3CO3+CO+CO+HO2 - 4.380000E+004 9 HO2 282 1.133842E-003 HO14CO2C4+OH=HO1CO3CHO+HO2 - 4.380000E+004 9 HO2 286 2.632634E-002 HO1CO3CHO=HOC2H4CO3+HO2+CO - 4.380000E+004 9 HO2 297 9.801667E-006 ACETOL+OH=MGLYOX+HO2 - 4.380000E+004 9 HO2 298 3.964334E-007 ACETOL=CH3CO3+HCHO+HO2 - 4.380000E+004 9 HO2 299 3.632315E-004 MGLYOX=CH3CO3+CO+HO2 - 4.380000E+004 9 HO2 307 2.621067E-006 HCOCO2H=HO2+HO2+CO - 4.380000E+004 9 HO2 307 2.621067E-006 HCOCO2H=HO2+HO2+CO - 4.380000E+004 9 HO2 308 2.988934E-006 OH+HCOCO2H=CO+HO2 - 4.380000E+004 9 HO2 309 2.223997E-007 HCOCO3H=HO2+CO+OH - 4.380000E+004 9 HO2 310 6.820307E-007 HCOCO3H=HO2+CO+OH + 4.380000E+004 9 HO2 48 5.859390E+005 HO2NO2=HO2+NO2 + 4.380000E+004 9 HO2 49 7.472975E+004 CH3OH+OH=HO2+HCHO + 4.380000E+004 9 HO2 51 9.854942E+004 C2H5OH+OH=CH3CHO+HO2 + 4.380000E+004 9 HO2 54 1.360532E+005 BUT2OL+OH=MEK+HO2 + 4.380000E+004 9 HO2 55 1.081960E+003 HCHO=CO+HO2+HO2 + 4.380000E+004 9 HO2 55 1.081960E+003 HCHO=CO+HO2+HO2 + 4.380000E+004 9 HO2 57 4.113871E-002 NO3+HCHO=HNO3+CO+HO2 + 4.380000E+004 9 HO2 58 5.091206E+003 OH+HCHO=HO2+CO + 4.380000E+004 9 HO2 59 5.593292E+003 C2H5O=CH3CHO+HO2 + 4.380000E+004 9 HO2 60 3.114991E+002 CH3CHO=CH3O2+HO2+CO + 4.380000E+004 9 HO2 109 6.078319E+003 HOCH2CH2O=HO2+HCHO+HCHO + 4.380000E+004 9 HO2 110 9.369599E+002 HOCH2CH2O=HO2+HOCH2CHO + 4.380000E+004 9 HO2 111 4.064854E-002 ETHGLY+OH=HOCH2CHO+HO2 + 4.380000E+004 9 HO2 113 1.196290E+001 HOCH2CHO+OH=GLYOX+HO2 + 4.380000E+004 9 HO2 115 8.650784E+000 HOCH2CHO=HO2+HCHO+HO2+CO + 4.380000E+004 9 HO2 115 8.650784E+000 HOCH2CHO=HO2+HCHO+HO2+CO + 4.380000E+004 9 HO2 119 9.911128E+004 BUT2OLAO=CH3CHO+CH3CHO+HO2 + 4.380000E+004 9 HO2 121 2.000879E+001 BUT2OLO+OH=BIACET+HO2 + 4.380000E+004 9 HO2 122 6.104219E-001 BUT2OLO=CH3CO3+CH3CHO+HO2 + 4.380000E+004 9 HO2 123 3.419735E-001 BUT2OLOH+OH=BUT2OLO+HO2 + 4.380000E+004 9 HO2 155 7.208407E+003 CH3O=HCHO+HO2 + 4.380000E+004 9 HO2 165 2.376716E-001 HCOCH2OOH=HO2+CO+HCHO+OH + 4.380000E+004 9 HO2 166 1.379305E+003 HCOCH2O=HCHO+CO+HO2 + 4.380000E+004 9 HO2 168 1.099351E-001 GLYOX=CO+CO+HO2+HO2 + 4.380000E+004 9 HO2 168 1.099351E-001 GLYOX=CO+CO+HO2+HO2 + 4.380000E+004 9 HO2 172 5.922596E-001 HOCH2CO3+HO2=HO2+HCHO+OH + 4.380000E+004 9 HO2 175 2.853201E+001 HOCH2CO3+NO=NO2+HO2+HCHO + 4.380000E+004 9 HO2 177 5.002009E-003 HOCH2CO3+NO3=NO2+HO2+HCHO + 4.380000E+004 9 HO2 178 2.003412E-002 HOCH2CO3=HCHO+HO2 + 4.380000E+004 9 HO2 189 9.902826E+001 MEKAO=CO2C3CHO+HO2 + 4.380000E+004 9 HO2 194 2.024742E-003 MEKAOH+OH=CO2C3CHO+HO2 + 4.380000E+004 9 HO2 206 4.840295E-003 EGLYOX=C2H5CO3+CO+HO2 + 4.380000E+004 9 HO2 209 9.062552E-005 MEKCOH+OH=EGLYOX+HO2 + 4.380000E+004 9 HO2 210 4.709763E-006 MEKCOH=C2H5CO3+HCHO+HO2 + 4.380000E+004 9 HO2 216 1.037244E-001 HCOCO=CO+CO+HO2 + 4.380000E+004 9 HO2 217 1.425314E-001 HCOCO=CO+CO+HO2 + 4.380000E+004 9 HO2 220 1.138654E-003 HOCH2CO2H+OH=HCHO+HO2 + 4.380000E+004 9 HO2 222 3.773463E-004 HOCH2CO3H=HCHO+HO2+OH + 4.380000E+004 9 HO2 260 5.397927E-004 HCOCO3+HO2=HO2+CO+OH + 4.380000E+004 9 HO2 261 2.600442E-002 HCOCO3+NO=HO2+CO+NO2 + 4.380000E+004 9 HO2 262 4.076515E-002 HCOCO3+NO2=HO2+CO+NO3 + 4.380000E+004 9 HO2 263 4.558892E-006 HCOCO3+NO3=HO2+CO+NO2 + 4.380000E+004 9 HO2 264 1.825934E-005 HCOCO3=CO+HO2 + 4.380000E+004 9 HO2 272 3.177750E-009 OH+BIACETOH=CO23C3CHO+HO2 + 4.380000E+004 9 HO2 273 1.115914E-007 CO23C3CHO=CH3CO3+CO+CO+HO2 + 4.380000E+004 9 HO2 282 1.159146E-003 HO14CO2C4+OH=HO1CO3CHO+HO2 + 4.380000E+004 9 HO2 286 2.709457E-002 HO1CO3CHO=HOC2H4CO3+HO2+CO + 4.380000E+004 9 HO2 297 1.011644E-005 ACETOL+OH=MGLYOX+HO2 + 4.380000E+004 9 HO2 298 4.089612E-007 ACETOL=CH3CO3+HCHO+HO2 + 4.380000E+004 9 HO2 299 3.759047E-004 MGLYOX=CH3CO3+CO+HO2 + 4.380000E+004 9 HO2 307 2.696019E-006 HCOCO2H=HO2+HO2+CO + 4.380000E+004 9 HO2 307 2.696019E-006 HCOCO2H=HO2+HO2+CO + 4.380000E+004 9 HO2 308 3.075904E-006 OH+HCOCO2H=CO+HO2 + 4.380000E+004 9 HO2 309 2.287538E-007 HCOCO3H=HO2+CO+OH + 4.380000E+004 9 HO2 310 7.015156E-007 HCOCO3H=HO2+CO+OH diff --git a/travis/tests/short_ext3/output/speciesConcentrations.output.cmp b/travis/tests/short_ext3/output/speciesConcentrations.output.cmp index 5f4209193..494163e7b 100644 --- a/travis/tests/short_ext3/output/speciesConcentrations.output.cmp +++ b/travis/tests/short_ext3/output/speciesConcentrations.output.cmp @@ -1,5 +1,5 @@ t O3 NO2 NO HCHO CH3CHO MEK 4.320000E+004 1.200000E+012 6.200000E+009 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 - 4.350000E+004 1.201078E+012 4.676733E+009 1.346462E+009 8.951068E+006 2.278057E+007 1.588969E+007 - 4.380000E+004 1.200773E+012 4.521181E+009 1.296163E+009 2.099951E+007 5.505026E+007 3.591775E+007 - 4.410000E+004 1.200457E+012 4.368636E+009 1.250353E+009 3.389152E+007 8.631449E+007 5.605780E+007 + 4.350000E+004 1.201078E+012 4.676673E+009 1.346522E+009 8.951120E+006 2.278076E+007 1.588975E+007 + 4.380000E+004 1.200773E+012 4.521181E+009 1.296165E+009 2.099946E+007 5.504980E+007 3.591760E+007 + 4.410000E+004 1.200457E+012 4.368637E+009 1.250353E+009 3.389157E+007 8.631443E+007 5.605779E+007 diff --git a/travis/tests/short_ext3/short_ext3.out.cmp b/travis/tests/short_ext3/short_ext3.out.cmp index 383b828ef..41c1be0dc 100644 --- a/travis/tests/short_ext3/short_ext3.out.cmp +++ b/travis/tests/short_ext3/short_ext3.out.cmp @@ -168,10 +168,10 @@ AtChem2 v1.1-dev ------------------ Final statistics ------------------ - No. steps = 136 No. f-s = 165 No. J-s = 274 No. LU-s = 41 - No. nonlinear iterations = 164 + No. steps = 138 No. f-s = 167 No. J-s = 160 No. LU-s = 43 + No. nonlinear iterations = 166 No. nonlinear convergence failures = 0 - No. error test failures = 2 + No. error test failures = 3 Runtime = 0 Deallocating memory. diff --git a/travis/tests/short_ext4/output/environmentVariables.output.cmp b/travis/tests/short_ext4/output/environmentVariables.output.cmp index 7be5bb247..8e5dbdfe4 100644 --- a/travis/tests/short_ext4/output/environmentVariables.output.cmp +++ b/travis/tests/short_ext4/output/environmentVariables.output.cmp @@ -1,4 +1,4 @@ t M TEMP PRESS RH H2O DEC BLHEIGHT DILUTE JFAC ROOFOPEN RO2 - 4.350000E+004 2.445710E+019 3.000000E+002 1.013000E+003 -1.000000E+000 1.720000E+017 -1.637151E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 2.483172E+006 - 4.380000E+004 2.445710E+019 3.000000E+002 1.013000E+003 -1.000000E+000 1.720000E+017 -1.637151E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 3.159215E+006 - 4.410000E+004 2.445710E+019 3.000000E+002 1.013000E+003 -1.000000E+000 1.720000E+017 -1.637151E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 3.618057E+006 + 4.350000E+004 2.445710E+019 3.000000E+002 1.013000E+003 -1.000000E+000 1.720000E+017 -1.637151E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 2.483121E+006 + 4.380000E+004 2.445710E+019 3.000000E+002 1.013000E+003 -1.000000E+000 1.720000E+017 -1.637151E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 3.159144E+006 + 4.410000E+004 2.445710E+019 3.000000E+002 1.013000E+003 -1.000000E+000 1.720000E+017 -1.637151E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 3.618340E+006 diff --git a/travis/tests/short_ext4/output/finalModelState.output.cmp b/travis/tests/short_ext4/output/finalModelState.output.cmp index c160966ec..84cdf6446 100644 --- a/travis/tests/short_ext4/output/finalModelState.output.cmp +++ b/travis/tests/short_ext4/output/finalModelState.output.cmp @@ -1,104 +1,104 @@ - O 6245.6021165273023 - O3 1200561687016.1521 - NO 1216400751.7725885 - NO2 4497847081.0729513 - NO3 1155960.2330510409 - O1D 1.1321259953984744E-002 - N2O5 112571.10723772466 - OH 11413332.898723047 - HO2 79844377.778384283 - H2 305068.79774971097 - CO 1740519.5800966264 - H2O2 15362640.431771405 - HONO 65475198.593054816 - HNO3 410870174.81815499 - HO2NO2 3365785.7216334208 + O 6245.6025430339678 + O3 1200561684372.6628 + NO 1216396798.1644239 + NO2 4497852243.9355679 + NO3 1155962.1879721379 + O1D 1.1321259928837257E-002 + N2O5 112571.58597252856 + OH 11413868.923813576 + HO2 79851892.558695614 + H2 305072.03512739798 + CO 1740526.7086129272 + H2O2 15361697.615773909 + HONO 65474960.313688166 + HNO3 410868512.95922661 + HO2NO2 3366157.0467747808 SO2 0.0000000000000000 SO3 0.0000000000000000 HSO3 0.0000000000000000 - NA 1124547.2440704373 + NA 1124555.1885860201 SA 0.0000000000000000 - CH3OH 3074899293.9925203 - HCHO 27733688.078144941 - C2H5OH 1262979432.7851553 - C2H5O 5.7101257812302589E-002 - CH3CHO 72410100.832778901 - HOCH2CH2O2 196945.44504808629 - BUT2OL 896874974.19527173 - BUT2OLO2 2664743.9956316622 - MEK 46463956.337108113 - CH3O2 442321.79407716723 - CH3CO3 202470.22005700337 - HCOCH2O2 46744.709607106044 - HYETHO2H 105310.82146740874 - ETHOHNO3 7765.2148445383309 - HOCH2CH2O 8.5219560984757109E-003 - ETHGLY 131.89229187091090 - HOCH2CHO 284556.01243152469 - BUT2OLOOH 1654385.0412876301 - BUT2OLAO 9.3006808262300191E-004 - BUT2OLNO3 890131.99972115946 - BUT2OLO 195875.52017497591 - BUT2OLOH 919.87996231315753 - MEKAO2 20019.817404137415 - MEKBO2 20157.707837454203 - MEKCO2 3445.9678400086964 - C2H5O2 5987.3157940492138 - CH3OOH 49973.306262577382 - CH3NO3 1375.2831793189343 - CH3O 0.40730945602448831 - CH3O2NO2 6120.6084475260132 - CH3CO2H 11558.113906210354 - CH3CO3H 30447.251770844381 - PAN 2588335.8142688978 - HCOCH2OOH 9727.8045389240870 - HCOCH2O 5.1006861105174070E-004 - GLYOX 3044.6737187510994 - HOCH2CO3 436.61035179754384 - BIACET 3352.0670432527349 - MEKAOOH 6584.8001477043817 - MEKANO3 2657.7122821349462 - MEKAO 1.1419821457947460E-003 - CO2C3CHO 17185.882422674524 - MEKAOH 8.9375111131077194 - MEKBOOH 7150.3014033902928 - MEKBO 2.1991616532561812E-004 - MEKCOOH 1252.0353559460696 - MEKCO 3.7603215860166268E-005 - EGLYOX 32.158803467699620 - MEKCOH 1.5780493827978219 - C2H5OOH 1249.0081601193099 - C2H5NO3 223.09455350077738 - HCOCO 2.6504913541538645E-009 - HOCH2CO2H 24.425960325888646 - HOCH2CO3H 62.240500036353417 - PHAN 5307.8889618504054 - BIACETO2 0.55105194394838419 - HO1CO3C4O2 11529.194730572046 - CO2C3CO3 223.93738345070233 - CH3COCH2O2 382.70244949275565 - C2H5CO3 554.66207635290471 - HCOCO3 0.50926995662545460 - BIACETOOH 9.4901042477746625E-002 - BIACETO 6.0318707532623879E-009 - BIACETOH 1.2116074657880809E-004 - CO23C3CHO 9.4195137810175814E-004 - HOCO3C4OOH 3779.9015776367987 - HO1CO3C4O 1.2581339451165868E-004 - HO14CO2C4 4.7766356977424698 - HO1CO3CHO 198.07377177014158 - CO2C3CO3H 31.608389953718238 - CO2C3PAN 1976.6901961342157 - CH3COCH2O 4.2172008135209891E-006 - HYPERACET 48.229684369773324 - ACETOL 0.19041929632855492 - MGLYOX 3.3673475624547637 - PERPROACID 82.094395849685625 - PROPACID 32.200794859368088 - PPN 8011.6296998659918 - HCOCO2H 1.8479362978158883E-002 - HCOCO3H 4.7823006164071528E-002 - HOC2H4CO3 2091.8664505077249 - HOC2H4CO2H 105.88549576988595 - HOC2H4CO3H 269.97033317630428 - C3PAN1 23452.459175177388 + CH3OH 3074899336.5709667 + HCHO 27733626.431687385 + C2H5OH 1262979495.7750101 + C2H5O 5.7103866264462087E-002 + CH3CHO 72409632.950855553 + HOCH2CH2O2 196964.32476667617 + BUT2OL 896875100.27191305 + BUT2OLO2 2665021.1285562459 + MEK 46463875.686406098 + CH3O2 442308.42093166104 + CH3CO3 202473.45611577798 + HCOCH2O2 46743.452375430883 + HYETHO2H 105303.68500981116 + ETHOHNO3 7765.1435221032680 + HOCH2CH2O 8.5227837981717795E-003 + ETHGLY 131.88350363505427 + HOCH2CHO 284552.94535839069 + BUT2OLOOH 1654267.6020228155 + BUT2OLAO 9.3016617544213918E-004 + BUT2OLNO3 890123.85911047563 + BUT2OLO 195867.83403578831 + BUT2OLOH 919.81691150142103 + MEKAO2 20019.465026100530 + MEKBO2 20157.352786783078 + MEKCO2 3445.9071689270759 + C2H5O2 5987.1798463234854 + CH3OOH 49972.696979414555 + CH3NO3 1375.2871477876538 + CH3O 0.40729623590073172 + CH3O2NO2 6120.4094872115966 + CH3CO2H 11557.761675508198 + CH3CO3H 30446.330835290013 + PAN 2588374.0605292730 + HCOCH2OOH 9727.8271938627186 + HCOCH2O 5.1005362083832910E-004 + GLYOX 3044.6600860036615 + HOCH2CO3 436.61547777732369 + BIACET 3351.7852867954612 + MEKAOOH 6584.7288786644840 + MEKANO3 2657.7248059844155 + MEKAO 1.1419598098334155E-003 + CO2C3CHO 17186.000320876206 + MEKAOH 8.9374064554130275 + MEKBOOH 7150.2015734377692 + MEKBO 2.1991185877456705E-004 + MEKCOOH 1252.0166618409614 + MEKCO 3.7602480129797523E-005 + EGLYOX 32.157105529079637 + MEKCOH 1.5780296422484836 + C2H5OOH 1249.0032291347620 + C2H5NO3 223.09847877193300 + HCOCO 2.6504953323345009E-009 + HOCH2CO2H 24.425370329534481 + HOCH2CO3H 62.239005364790216 + PHAN 5307.9897206261603 + BIACETO2 0.55099404471135138 + HO1CO3C4O2 11528.579518951523 + CO2C3CO3 223.94156226971646 + CH3COCH2O2 382.71208687345097 + C2H5CO3 554.64804667755629 + HCOCO3 0.50927278236250373 + BIACETOOH 9.4896879058439285E-002 + BIACETO 6.0312359694981404E-009 + BIACETOH 1.2116781062392031E-004 + CO23C3CHO 9.4232689230837698E-004 + HOCO3C4OOH 3779.9380184516508 + HO1CO3C4O 1.2580633880069733E-004 + HO14CO2C4 4.7766759451867262 + HO1CO3CHO 198.06273574847575 + CO2C3CO3H 31.606806590288677 + CO2C3PAN 1976.6587488161167 + CH3COCH2O 4.2173156817945363E-006 + HYPERACET 48.226125416412074 + ACETOL 0.19040758741105890 + MGLYOX 3.3672264435730916 + PERPROACID 82.092645325624403 + PROPACID 32.200102254032871 + PPN 8011.7175203821025 + HCOCO2H 1.8478607142746791E-002 + HCOCO3H 4.7820999176867537E-002 + HOC2H4CO3 2091.7621133701482 + HOC2H4CO2H 105.88675248665214 + HOC2H4CO3H 269.97368042278708 + C3PAN1 23453.055882467233 diff --git a/travis/tests/short_ext4/output/instantaneousRates/43500.cmp b/travis/tests/short_ext4/output/instantaneousRates/43500.cmp index 595514fb8..f31ea66e8 100644 --- a/travis/tests/short_ext4/output/instantaneousRates/43500.cmp +++ b/travis/tests/short_ext4/output/instantaneousRates/43500.cmp @@ -1,325 +1,325 @@ reactionNumber reactionRate -1 3.437741E+008 -2 9.881549E+007 -3 6.280489E+001 -4 1.802505E+001 -5 3.068581E+002 -6 6.159632E+001 -7 2.328789E+006 -8 6.693039E+006 -9 2.757576E+007 -10 2.122859E+005 -11 1.651458E-001 -12 4.044350E+004 -13 3.865239E+000 -14 7.082147E+003 -15 4.181585E+005 -16 9.126994E+005 -17 2.113203E-003 -18 3.374958E-001 -19 4.798035E+001 -20 1.622492E+005 -21 7.484478E+004 -22 9.706770E+003 -23 7.276407E+003 -24 1.277028E+005 -25 4.744090E+005 -26 2.472945E+002 -27 7.241737E+005 -28 2.322671E+005 -29 9.522998E+001 -30 3.184509E+002 -31 1.588160E+003 -32 1.932372E+002 +1 3.438057E+008 +2 9.882456E+007 +3 6.281129E+001 +4 1.805808E+001 +5 3.072781E+002 +6 6.168064E+001 +7 2.328816E+006 +8 6.693116E+006 +9 2.762403E+007 +10 2.125591E+005 +11 1.657212E-001 +12 4.054983E+004 +13 3.873608E+000 +14 7.097481E+003 +15 4.181633E+005 +16 9.055309E+005 +17 1.882490E-003 +18 2.978488E-001 +19 4.339952E+001 +20 1.598765E+005 +21 7.316953E+004 +22 9.424755E+003 +23 7.065002E+003 +24 1.269191E+005 +25 4.712791E+005 +26 2.455674E+002 +27 7.148182E+005 +28 2.291604E+005 +29 9.308473E+001 +30 3.140691E+002 +31 1.493386E+003 +32 1.811530E+002 33 0.000000E+000 34 0.000000E+000 35 0.000000E+000 -36 7.475436E+002 -37 4.960047E+001 +36 7.063502E+002 +37 4.969744E+001 38 0.000000E+000 -39 9.439986E+006 -40 4.051188E+008 -41 1.046307E+001 -42 2.829971E+007 -43 2.182244E+004 -44 1.497563E+005 -45 3.341585E+004 -46 2.889293E+001 -47 7.052479E+003 -48 2.293390E+005 -49 2.863170E+004 -50 2.120543E+003 -51 3.816978E+004 -52 2.120543E+003 -53 3.055012E+004 -54 5.407625E+004 -55 1.126313E+002 -56 2.120588E+002 -57 5.200603E-003 -58 6.816211E+002 -59 2.135161E+003 -60 3.032742E+001 -61 6.885567E-002 -62 2.908863E+003 -63 1.530981E+002 -64 1.218776E+002 -65 9.164935E+000 -66 1.823822E+003 -67 4.387266E-001 -68 1.406452E-001 -69 4.219355E-001 -70 1.406452E-001 -71 2.072250E+003 -72 2.514286E+004 -73 1.074929E+003 -74 6.275243E+000 -75 3.045436E+000 -76 1.015145E+000 -77 1.015145E+000 -78 7.290678E+001 -79 7.338330E+001 -80 1.254823E+001 -81 1.926473E+001 -82 1.967398E+001 -83 1.887708E+000 -84 6.294587E-001 -85 6.288292E+002 -86 1.752276E+003 -87 9.227649E-002 -88 4.248516E-002 -89 3.528385E-002 -90 3.528385E-002 -91 5.642471E+000 -92 1.542275E+001 -93 1.655125E+001 -94 1.063925E+003 -95 1.758456E+003 -96 2.013334E-001 -97 1.480011E-001 -98 3.453359E-001 -99 4.677381E+000 -100 9.557091E+001 -101 2.287495E-002 -102 8.410179E-003 -103 2.523054E-002 -104 8.410179E-003 -105 7.010955E-001 -106 2.703021E+000 -107 5.483953E-002 -108 1.576030E-002 -109 1.482353E+003 -110 3.427524E+002 -111 3.184356E-003 -112 2.325382E-004 -113 1.393310E+000 -114 5.573241E+000 -115 5.868158E-001 -116 9.565858E+001 -117 1.184767E+001 -118 9.267218E-001 -119 2.515810E+004 -120 3.972625E+000 -121 5.788416E-001 -122 1.331290E-002 -123 2.757438E-002 -124 3.666884E+000 -125 1.530964E+000 -126 4.486189E+001 -127 1.110416E-002 -128 4.082542E-003 -129 1.224763E-002 -130 4.082542E-003 -131 3.691352E+000 -132 4.670241E+001 -133 1.117825E-002 -134 1.808304E-003 -135 1.808304E-003 -136 5.424913E-003 -137 6.311213E-001 -138 7.984849E+000 -139 1.911179E-003 -140 7.026617E-004 -141 2.107985E-003 -142 7.026617E-004 -143 6.508070E-001 -144 1.326695E-001 -145 1.460839E+001 -146 3.494893E-003 -147 5.750487E-004 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a/travis/tests/short_ext4/output/instantaneousRates/43800.cmp +++ b/travis/tests/short_ext4/output/instantaneousRates/43800.cmp @@ -1,325 +1,325 @@ reactionNumber reactionRate -1 3.429501E+008 -2 9.857864E+007 -3 6.263978E+001 -4 1.735978E+001 -5 2.966839E+002 -6 5.955404E+001 -7 2.325847E+006 -8 6.684583E+006 -9 2.661560E+007 -10 2.056927E+005 -11 1.539173E-001 -12 3.812921E+004 -13 3.658257E+000 -14 6.702901E+003 -15 4.176302E+005 -16 9.908277E+005 -17 1.164812E-002 -18 2.084669E+000 -19 1.803696E+002 -20 1.878405E+005 -21 9.411104E+004 -22 1.301638E+004 -23 9.757361E+003 -24 1.338695E+005 -25 4.992556E+005 -26 2.622317E+002 -27 8.095811E+005 -28 2.606718E+005 -29 1.172959E+002 -30 3.601218E+002 -31 3.449091E+003 -32 4.843043E+002 +1 3.430725E+008 +2 9.861382E+007 +3 6.266416E+001 +4 1.744635E+001 +5 2.981058E+002 +6 5.983945E+001 +7 2.326520E+006 +8 6.686518E+006 +9 2.673965E+007 +10 2.066115E+005 +11 1.553453E-001 +12 3.843458E+004 +13 3.686843E+000 +14 6.755279E+003 +15 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2.612608E-008 +310 7.859680E-008 +311 1.590836E-006 +312 1.630002E-001 +313 4.455339E-001 +314 4.781340E-001 +315 2.600917E+001 +316 4.314711E+001 +317 4.974978E-003 +318 1.000752E-002 +319 2.335089E-002 +320 4.747668E-003 +321 2.275264E-004 +322 1.516953E-002 +323 4.541774E+000 +324 3.864555E-001 diff --git a/travis/tests/short_ext4/output/instantaneousRates/44100.cmp b/travis/tests/short_ext4/output/instantaneousRates/44100.cmp index 8277c835f..56c010738 100644 --- a/travis/tests/short_ext4/output/instantaneousRates/44100.cmp +++ b/travis/tests/short_ext4/output/instantaneousRates/44100.cmp @@ -1,325 +1,325 @@ reactionNumber reactionRate -1 3.421624E+008 -2 9.835220E+007 -3 6.248325E+001 -4 1.683646E+001 -5 2.881690E+002 -6 5.784482E+001 -7 2.319893E+006 -8 6.667474E+006 -9 2.586745E+007 -10 2.002087E+005 -11 1.454446E-001 -12 3.631771E+004 -13 3.489648E+000 -14 6.393966E+003 -15 4.165612E+005 -16 1.017645E+006 -17 2.648980E-002 -18 4.919808E+000 -19 3.144472E+002 -20 1.970215E+005 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1.891615E-003 -204 3.932580E-003 -205 3.930235E+001 -206 3.382187E-003 -207 4.805224E-007 -208 5.831691E-003 -209 6.853245E-005 -210 2.401502E-006 -211 3.919546E-003 -212 5.598253E-002 -213 1.252790E-001 -214 1.079366E-004 -215 4.985470E-004 -216 5.454424E-002 -217 7.495117E-002 -218 2.014976E-001 -219 3.834616E-002 -220 8.410185E-004 -221 4.855298E-003 -222 1.965691E-004 -223 7.402559E-002 -224 3.387445E+000 -225 7.103464E-004 -226 6.942551E-003 -227 1.694311E-006 -228 2.810672E-006 -229 9.368906E-007 -230 9.368906E-007 -231 1.350293E+001 -232 1.319705E+002 -233 3.220706E-002 -234 1.780929E-002 -235 5.342788E-002 -236 1.780929E-002 -237 1.179677E-001 -238 1.501407E-001 -239 5.857853E+000 -240 9.734066E+000 -241 1.130836E-003 -242 8.984339E-003 -243 4.457373E-002 -244 2.525844E-001 -245 4.588313E+000 -246 1.119766E-003 -247 1.036101E-003 -248 3.108302E-003 -249 1.036101E-003 -250 2.801674E-001 -251 2.610651E-001 -252 9.551162E-002 -253 1.468213E+001 -254 2.311793E+001 -255 2.685680E-003 -256 1.493615E-002 -257 6.401209E-003 -258 9.272287E-005 -259 2.534425E-004 -260 2.719871E-004 -261 1.350591E-002 -262 2.244293E-002 -263 2.607264E-006 -264 1.450005E-005 -265 6.214307E-006 -266 3.301753E-007 -267 2.300477E-005 -268 4.715865E-006 -269 7.891898E-006 -270 6.969814E-003 -271 2.959583E-008 -272 4.559524E-009 -273 1.095904E-007 -274 2.373656E-007 -275 1.556999E-011 -276 1.672090E-007 -277 1.705969E-001 -278 1.029480E+000 -279 1.194412E-002 -280 5.745256E-003 -281 1.320843E+002 -282 9.524858E-004 -283 7.313141E-006 -284 2.982728E-006 -285 6.666833E-002 -286 2.099411E-002 -287 1.730532E-003 -288 1.037512E-004 -289 4.990549E-005 -290 1.517677E-002 -291 1.311696E+000 -292 4.637318E+000 -293 2.282371E-003 -294 5.349847E-003 -295 7.686427E-005 -296 1.597973E-004 -297 1.121656E-005 -298 3.057399E-007 -299 3.681479E-004 -300 3.138265E-008 -301 5.898693E-004 -302 4.558452E-003 -303 2.584551E-004 -304 4.858023E-004 -305 1.269662E-001 -306 6.955023E-016 -307 1.971434E-006 -308 3.007942E-006 -309 1.585684E-007 -310 4.769205E-007 -311 9.997323E-006 -312 3.635133E-001 -313 9.936031E-001 -314 1.066306E+000 -315 5.294893E+001 -316 8.798589E+001 -317 1.022159E-002 -318 2.436274E-002 -319 5.684639E-002 -320 1.867667E-002 -321 8.578782E-004 -322 5.922182E-002 -323 1.507848E+001 -324 1.326862E+000 +39 9.402531E+006 +40 4.046956E+008 +41 6.256197E+001 +42 2.664214E+007 +43 2.085179E+004 +44 1.430915E+005 +45 8.649030E+004 +46 1.001988E+002 +47 6.354420E+003 +48 2.660857E+005 +49 3.176605E+004 +50 2.315545E+003 +51 4.167981E+004 +52 2.315545E+003 +53 3.211792E+004 +54 5.685138E+004 +55 4.206968E+002 +56 7.924366E+002 +57 1.860601E-002 +58 2.847786E+003 +59 2.384925E+003 +60 1.148087E+002 +61 2.498582E-001 +62 1.232657E+004 +63 6.487668E+002 +64 1.860261E+002 +65 1.077441E+001 +66 2.144108E+003 +67 5.260884E-001 +68 2.551744E-001 +69 7.655233E-001 +70 2.551744E-001 +71 2.978625E+003 +72 2.783573E+004 +73 1.190057E+003 +74 7.086294E+000 +75 5.203382E+000 +76 1.734461E+000 +77 1.734461E+000 +78 2.861620E+002 +79 2.880323E+002 +80 4.925228E+001 +81 6.756708E+001 +82 1.789994E+002 +83 1.717490E+001 +84 4.411039E+000 +85 4.406628E+003 +86 1.234651E+004 +87 6.595769E-001 +88 4.594721E-001 +89 3.815907E-001 +90 3.815907E-001 +91 3.562323E+001 +92 9.737015E+001 +93 1.044948E+002 +94 5.173558E+003 +95 8.597609E+003 +96 9.986069E-001 +97 1.110686E+000 +98 2.591601E+000 +99 3.445962E+001 +100 5.423101E+002 +101 1.323985E-001 +102 7.365046E-002 +103 2.209514E-001 +104 7.365046E-002 +105 4.615933E+000 +106 1.779639E+001 +107 3.228867E-001 +108 7.931379E-002 +109 1.742632E+003 +110 4.029346E+002 +111 2.360803E-002 +112 9.880822E-004 +113 6.913716E+000 +114 2.765486E+001 +115 2.603172E+000 +116 5.820409E+002 +117 7.208791E+001 +118 5.042583E+000 +119 2.785118E+004 +120 1.932610E+001 +121 1.486427E+001 +122 3.054814E-001 +123 1.958154E-001 +124 2.381183E+001 +125 7.657285E+000 +126 2.243817E+002 +127 5.664950E-002 +128 3.151292E-002 +129 9.453876E-002 +130 3.151292E-002 +131 2.397626E+001 +132 2.336413E+002 +133 5.704069E-002 +134 1.396143E-002 +135 1.396143E-002 +136 4.188430E-002 +137 4.098729E+000 +138 3.994085E+001 +139 9.751076E-003 +140 5.424318E-003 +141 1.627295E-002 +142 5.424318E-003 +143 4.009984E+000 +144 6.296164E-001 +145 6.932776E+001 +146 1.691762E-002 +147 4.211701E-003 +148 1.403900E-003 +149 1.403900E-003 +150 1.646262E-001 +151 3.938962E+000 +152 2.625975E+000 +153 6.358568E-004 +154 4.291932E-004 +155 4.408301E+003 +156 1.233589E+004 +157 1.204112E-001 +158 1.465944E+000 +159 9.920029E-002 +160 9.930897E-001 +161 1.695161E+003 +162 3.679735E+000 +163 4.526164E-001 +164 3.166073E-002 +165 9.522368E-002 +166 5.425866E+002 +167 1.486714E-001 +168 4.770430E-002 +169 2.241473E-002 +170 1.138729E-005 +171 3.835932E-001 +172 2.266794E-001 +173 7.727708E-002 +174 2.112240E-001 +175 1.122294E+001 +176 1.865070E+001 +177 2.167350E-003 +178 1.212580E-002 +179 5.196773E-003 +180 8.031098E-001 +181 1.107397E-002 +182 4.150870E+000 +183 3.044571E-001 +184 2.129691E-002 +185 1.024373E-002 +186 3.300820E-002 +187 1.812491E-003 +188 4.123668E-003 +189 5.718955E+001 +190 1.673328E+002 +191 2.511837E-004 +192 1.570819E+001 +193 1.654403E-001 +194 1.581363E-003 +195 1.410707E-005 +196 1.744047E+000 +197 3.320528E-001 +198 1.117221E-002 +199 2.322725E-002 +200 2.337135E+002 +201 1.553502E-001 +202 5.822576E-002 +203 1.959058E-003 +204 4.072919E-003 +205 3.996241E+001 +206 3.555199E-003 +207 5.046560E-007 +208 6.135341E-003 +209 7.125412E-005 +210 2.494540E-006 +211 4.056987E-003 +212 5.799799E-002 +213 1.297892E-001 +214 1.114497E-004 +215 5.152570E-004 +216 5.664874E-002 +217 7.784303E-002 +218 2.092720E-001 +219 3.982568E-002 +220 8.737721E-004 +221 5.042845E-003 +222 2.039776E-004 +223 7.652277E-002 +224 3.498777E+000 +225 7.527495E-004 +226 7.335313E-003 +227 1.790828E-006 +228 2.988599E-006 +229 9.961997E-007 +230 9.961997E-007 +231 1.379554E+001 +232 1.344333E+002 +233 3.282026E-002 +234 1.825722E-002 +235 5.477165E-002 +236 1.825722E-002 +237 1.222887E-001 +238 1.556402E-001 +239 6.054539E+000 +240 1.006166E+001 +241 1.169239E-003 +242 9.345160E-003 +243 4.635151E-002 +244 2.626586E-001 +245 4.757264E+000 +246 1.161428E-003 +247 1.081095E-003 +248 3.243286E-003 +249 1.081095E-003 +250 2.858836E-001 +251 2.663915E-001 +252 9.746031E-002 +253 1.493757E+001 +254 2.352189E+001 +255 2.733419E-003 +256 1.529282E-002 +257 6.554066E-003 +258 9.660571E-005 +259 2.640556E-004 +260 2.833767E-004 +261 1.403004E-002 +262 2.331563E-002 +263 2.709450E-006 +264 1.515872E-005 +265 6.496595E-006 +266 3.552598E-007 +267 2.475337E-005 +268 5.078734E-006 +269 8.499150E-006 +270 7.365365E-003 +271 3.195806E-008 +272 4.927730E-009 +273 1.197850E-007 +274 2.594467E-007 +275 1.700333E-011 +276 1.829227E-007 +277 1.772176E-001 +278 1.069434E+000 +279 1.239646E-002 +280 5.962646E-003 +281 1.345476E+002 +282 9.924124E-004 +283 7.612572E-006 +284 3.142364E-006 +285 7.035985E-002 +286 2.213732E-002 +287 1.822836E-003 +288 1.091864E-004 +289 5.251823E-005 +290 1.592639E-002 +291 1.375328E+000 +292 4.808878E+000 +293 2.413782E-003 +294 5.657873E-003 +295 8.121385E-005 +296 1.688452E-004 +297 1.189800E-005 +298 3.240114E-007 +299 3.928103E-004 +300 3.345535E-008 +301 6.299327E-004 +302 4.729031E-003 +303 2.678843E-004 +304 5.041343E-004 +305 1.313502E-001 +306 7.189127E-016 +307 2.081469E-006 +308 3.178594E-006 +309 1.674051E-007 +310 5.034920E-007 +311 1.056400E-005 +312 3.721387E-001 +313 1.017179E+000 +314 1.091607E+000 +315 5.404568E+001 +316 8.981509E+001 +317 1.043718E-002 +318 2.502580E-002 +319 5.839352E-002 +320 1.944869E-002 +321 8.922604E-004 +322 6.165103E-002 +323 1.561540E+001 +324 1.375264E+000 diff --git a/travis/tests/short_ext4/output/lossRates.output.cmp b/travis/tests/short_ext4/output/lossRates.output.cmp index defddba52..918c6c3b8 100644 --- a/travis/tests/short_ext4/output/lossRates.output.cmp +++ b/travis/tests/short_ext4/output/lossRates.output.cmp @@ -1,124 +1,124 @@ time speciesNumber speciesName reactionNumber rate - 4.380000E+004 8 OH 16 2.781219E+007 OH+O3=HO2 - 4.380000E+004 8 OH 17 1.164812E-002 OH+H2=HO2 - 4.380000E+004 8 OH 18 2.084669E+000 OH+CO=HO2 - 4.380000E+004 8 OH 19 1.803696E+002 OH+H2O2=HO2 - 4.380000E+004 8 OH 21 2.819515E+005 OH+HO2= - 4.380000E+004 8 OH 24 2.678762E+007 OH+NO=HONO - 4.380000E+004 8 OH 25 7.120111E+005 OH+NO2=HNO3 - 4.380000E+004 8 OH 26 4.509801E+004 OH+NO3=HO2+NO2 - 4.380000E+004 8 OH 29 1.172959E+002 OH+HO2NO2=NO2 - 4.380000E+004 8 OH 31 3.449091E+003 OH+HONO=NO2 - 4.380000E+004 8 OH 32 4.843043E+002 OH+HNO3=NO3 + 4.380000E+004 8 OH 16 2.793057E+007 OH+O3=HO2 + 4.380000E+004 8 OH 17 9.820021E-003 OH+H2=HO2 + 4.380000E+004 8 OH 18 1.741582E+000 OH+CO=HO2 + 4.380000E+004 8 OH 19 1.598318E+002 OH+H2O2=HO2 + 4.380000E+004 8 OH 21 2.784366E+005 OH+HO2= + 4.380000E+004 8 OH 24 2.691170E+007 OH+NO=HONO + 4.380000E+004 8 OH 25 7.118509E+005 OH+NO2=HNO3 + 4.380000E+004 8 OH 26 4.545491E+004 OH+NO3=HO2+NO2 + 4.380000E+004 8 OH 29 1.157785E+002 OH+HO2NO2=NO2 + 4.380000E+004 8 OH 31 3.227892E+003 OH+HONO=NO2 + 4.380000E+004 8 OH 32 4.428761E+002 OH+HNO3=NO3 4.380000E+004 8 OH 34 0.000000E+000 OH+SO2=HSO3 - 4.380000E+004 8 OH 49 1.753549E+006 CH3OH+OH=HO2+HCHO - 4.380000E+004 8 OH 50 1.755825E+006 C2H5OH+OH=C2H5O - 4.380000E+004 8 OH 51 1.796797E+006 C2H5OH+OH=CH3CHO+HO2 - 4.380000E+004 8 OH 52 1.799073E+006 C2H5OH+OH=HOCH2CH2O2 - 4.380000E+004 8 OH 53 1.831226E+006 BUT2OL+OH=BUT2OLO2 - 4.380000E+004 8 OH 54 1.888138E+006 BUT2OL+OH=MEK+HO2 - 4.380000E+004 8 OH 58 2.569786E+003 OH+HCHO=HO2+CO - 4.380000E+004 8 OH 62 7.971151E+003 OH+CH3CHO=CH3CO3 - 4.380000E+004 8 OH 63 8.386690E+003 OH+CH3CHO=HCOCH2O2 - 4.380000E+004 8 OH 78 1.898420E+006 MEK+OH=MEKAO2 - 4.380000E+004 8 OH 79 1.898605E+006 MEK+OH=MEKBO2 - 4.380000E+004 8 OH 80 1.898637E+006 MEK+OH=MEKCO2 - 4.380000E+004 8 OH 105 1.898640E+006 HYETHO2H+OH=HOCH2CH2O2 - 4.380000E+004 8 OH 106 1.898650E+006 HYETHO2H+OH=HOCH2CHO+OH - 4.380000E+004 8 OH 108 1.898650E+006 ETHOHNO3+OH=HOCH2CHO+NO2 - 4.380000E+004 8 OH 111 1.898650E+006 ETHGLY+OH=HOCH2CHO+HO2 - 4.380000E+004 8 OH 113 1.898654E+006 HOCH2CHO+OH=GLYOX+HO2 - 4.380000E+004 8 OH 114 1.898671E+006 HOCH2CHO+OH=HOCH2CO3 - 4.380000E+004 8 OH 116 1.899016E+006 BUT2OLOOH+OH=BUT2OLO+OH - 4.380000E+004 8 OH 117 1.899058E+006 BUT2OLOOH+OH=BUT2OLO2 - 4.380000E+004 8 OH 120 1.899070E+006 BUT2OLNO3+OH=BUT2OLO+NO2 - 4.380000E+004 8 OH 121 1.899076E+006 BUT2OLO+OH=BIACET+HO2 - 4.380000E+004 8 OH 123 1.899076E+006 BUT2OLOH+OH=BUT2OLO+HO2 - 4.380000E+004 8 OH 151 1.331834E+000 OH+CH3OOH=CH3O2 - 4.380000E+004 8 OH 152 2.183102E+000 OH+CH3OOH=HCHO+OH - 4.380000E+004 8 OH 154 3.765650E-004 OH+CH3NO3=HCHO+NO2 - 4.380000E+004 8 OH 157 1.899078E+006 CH3CO2H+OH=CH3O2 - 4.380000E+004 8 OH 158 1.899078E+006 CH3CO3H+OH=CH3CO3 - 4.380000E+004 8 OH 160 1.899079E+006 PAN+OH=HCHO+CO+NO2 - 4.380000E+004 8 OH 162 1.899080E+006 HCOCH2OOH+OH=GLYOX+OH - 4.380000E+004 8 OH 163 1.899080E+006 HCOCH2OOH+OH=HCOCH2O2 - 4.380000E+004 8 OH 171 2.124708E-001 OH+GLYOX=HCOCO - 4.380000E+004 8 OH 181 1.946879E-001 OH+BIACET=BIACETO2 - 4.380000E+004 8 OH 182 1.899082E+006 MEKAOOH+OH=CO2C3CHO+OH - 4.380000E+004 8 OH 183 1.899082E+006 MEKAOOH+OH=MEKAO2 - 4.380000E+004 8 OH 186 1.899082E+006 MEKANO3+OH=CO2C3CHO+NO2 - 4.380000E+004 8 OH 192 1.899089E+006 CO2C3CHO+OH=CO2C3CO3 - 4.380000E+004 8 OH 194 1.899089E+006 MEKAOH+OH=CO2C3CHO+HO2 - 4.380000E+004 8 OH 196 1.899089E+006 MEKBOOH+OH=BIACET+OH - 4.380000E+004 8 OH 197 1.899089E+006 MEKBOOH+OH=MEKBO2 - 4.380000E+004 8 OH 201 1.899089E+006 MEKCOOH+OH=EGLYOX+OH - 4.380000E+004 8 OH 202 1.899089E+006 MEKCOOH+OH=MEKCO2 - 4.380000E+004 8 OH 208 2.302210E-003 OH+EGLYOX=C2H5CO3+CO - 4.380000E+004 8 OH 209 1.899089E+006 MEKCOH+OH=EGLYOX+HO2 - 4.380000E+004 8 OH 212 2.272223E-002 OH+C2H5OOH=C2H5O2 - 4.380000E+004 8 OH 213 7.015532E-002 OH+C2H5OOH=CH3CHO+OH - 4.380000E+004 8 OH 215 2.473932E-004 OH+C2H5NO3=CH3CHO+NO2 - 4.380000E+004 8 OH 220 1.899089E+006 HOCH2CO2H+OH=HCHO+HO2 - 4.380000E+004 8 OH 221 1.899089E+006 HOCH2CO3H+OH=HOCH2CO3 - 4.380000E+004 8 OH 223 1.899090E+006 PHAN+OH=HCHO+CO+NO2 - 4.380000E+004 8 OH 268 3.656173E-006 OH+BIACETOOH=BIACETO2 - 4.380000E+004 8 OH 269 4.661565E-006 OH+BIACETOOH=CO23C3CHO+OH - 4.380000E+004 8 OH 272 4.162863E-009 OH+BIACETOH=CO23C3CHO+HO2 - 4.380000E+004 8 OH 276 4.519595E-008 OH+CO23C3CHO=CH3CO3+CO+CO - 4.380000E+004 8 OH 277 1.899090E+006 HOCO3C4OOH+OH=HO1CO3C4O2 - 4.380000E+004 8 OH 278 1.899090E+006 HOCO3C4OOH+OH=HO1CO3CHO+OH - 4.380000E+004 8 OH 282 1.899090E+006 HO14CO2C4+OH=HO1CO3CHO+HO2 - 4.380000E+004 8 OH 285 1.899090E+006 HO1CO3CHO+OH=HOC2H4CO3+CO - 4.380000E+004 8 OH 287 1.899090E+006 CO2C3CO3H+OH=CO2C3CO3 - 4.380000E+004 8 OH 290 1.899090E+006 CO2C3PAN+OH=MGLYOX+CO+NO2 - 4.380000E+004 8 OH 293 1.899090E+006 HYPERACET+OH=CH3COCH2O2 - 4.380000E+004 8 OH 294 1.899090E+006 HYPERACET+OH=MGLYOX+OH - 4.380000E+004 8 OH 297 1.899090E+006 ACETOL+OH=MGLYOX+HO2 - 4.380000E+004 8 OH 301 1.593769E-004 OH+MGLYOX=CH3CO3+CO - 4.380000E+004 8 OH 302 1.899090E+006 PERPROACID+OH=C2H5CO3 - 4.380000E+004 8 OH 304 1.899090E+006 PROPACID+OH=C2H5O2 - 4.380000E+004 8 OH 305 1.899090E+006 PPN+OH=CH3CHO+CO+NO2 - 4.380000E+004 8 OH 308 1.100425E-006 OH+HCOCO2H=CO+HO2 - 4.380000E+004 8 OH 311 2.331609E-006 OH+HCOCO3H=HCOCO3 - 4.380000E+004 8 OH 320 6.069005E-003 OH+HOC2H4CO2H=HOCH2CH2O2 - 4.380000E+004 8 OH 322 1.965926E-002 OH+HOC2H4CO3H=HOC2H4CO3 - 4.380000E+004 8 OH 324 6.118895E+000 OH+C3PAN1=HOCH2CHO+CO+NO2 - 4.380000E+004 9 HO2 20 2.800003E+007 HO2+O3=OH - 4.380000E+004 9 HO2 21 2.819515E+005 OH+HO2= - 4.380000E+004 9 HO2 22 3.079843E+005 HO2+HO2=H2O2 - 4.380000E+004 9 HO2 22 3.079843E+005 HO2+HO2=H2O2 - 4.380000E+004 9 HO2 23 3.274990E+005 HO2+HO2=H2O2 - 4.380000E+004 9 HO2 23 3.274990E+005 HO2+HO2=H2O2 - 4.380000E+004 9 HO2 27 2.759720E+007 HO2+NO=OH+NO2 - 4.380000E+004 9 HO2 28 9.726829E+005 HO2+NO2=HO2NO2 - 4.380000E+004 9 HO2 30 4.545813E+004 HO2+NO3=OH+NO2 - 4.380000E+004 9 HO2 64 1.398279E+006 HOCH2CH2O2+HO2=HYETHO2H - 4.380000E+004 9 HO2 71 1.401031E+006 BUT2OLO2+HO2=BUT2OLOOH - 4.380000E+004 9 HO2 82 1.401124E+006 CH3O2+HO2=CH3OOH - 4.380000E+004 9 HO2 83 1.401133E+006 CH3O2+HO2=HCHO - 4.380000E+004 9 HO2 91 1.401153E+006 CH3CO3+HO2=CH3CO2H+O3 - 4.380000E+004 9 HO2 92 1.401208E+006 CH3CO3+HO2=CH3CO3H - 4.380000E+004 9 HO2 93 1.401267E+006 CH3CO3+HO2=CH3O2+OH - 4.380000E+004 9 HO2 99 1.401286E+006 HCOCH2O2+HO2=HCOCH2OOH - 4.380000E+004 9 HO2 124 1.401300E+006 MEKAO2+HO2=MEKAOOH - 4.380000E+004 9 HO2 131 1.401313E+006 MEKBO2+HO2=MEKBOOH - 4.380000E+004 9 HO2 137 1.401315E+006 MEKCO2+HO2=MEKCOOH - 4.380000E+004 9 HO2 143 1.401318E+006 C2H5O2+HO2=C2H5OOH - 4.380000E+004 9 HO2 172 1.401318E+006 HOCH2CO3+HO2=HO2+HCHO+OH - 4.380000E+004 9 HO2 173 1.401318E+006 HOCH2CO3+HO2=HOCH2CO2H+O3 - 4.380000E+004 9 HO2 174 1.401318E+006 HOCH2CO3+HO2=HOCH2CO3H - 4.380000E+004 9 HO2 225 1.401318E+006 BIACETO2+HO2=BIACETOOH - 4.380000E+004 9 HO2 231 1.401325E+006 HO1CO3C4O2+HO2=HOCO3C4OOH - 4.380000E+004 9 HO2 237 1.401325E+006 CO2C3CO3+HO2=CH3COCH2O2+OH - 4.380000E+004 9 HO2 238 1.401326E+006 CO2C3CO3+HO2=CO2C3CO3H - 4.380000E+004 9 HO2 243 1.401326E+006 CH3COCH2O2+HO2=CH3COCH2O+OH - 4.380000E+004 9 HO2 244 1.401326E+006 CH3COCH2O2+HO2=HYPERACET - 4.380000E+004 9 HO2 250 1.401326E+006 C2H5CO3+HO2=C2H5O2+OH - 4.380000E+004 9 HO2 251 1.401326E+006 C2H5CO3+HO2=PERPROACID - 4.380000E+004 9 HO2 252 1.401326E+006 C2H5CO3+HO2=PROPACID+O3 - 4.380000E+004 9 HO2 258 1.401326E+006 HCOCO3+HO2=HCOCO2H+O3 - 4.380000E+004 9 HO2 259 1.401326E+006 HCOCO3+HO2=HCOCO3H - 4.380000E+004 9 HO2 260 1.401326E+006 HCOCO3+HO2=HO2+CO+OH - 4.380000E+004 9 HO2 312 1.401326E+006 HOC2H4CO3+HO2=HOC2H4CO2H+O3 - 4.380000E+004 9 HO2 313 1.401327E+006 HOC2H4CO3+HO2=HOC2H4CO3H - 4.380000E+004 9 HO2 314 1.401327E+006 HOC2H4CO3+HO2=HOCH2CH2O2+OH + 4.380000E+004 8 OH 49 1.743489E+006 CH3OH+OH=HO2+HCHO + 4.380000E+004 8 OH 50 1.745753E+006 C2H5OH+OH=C2H5O + 4.380000E+004 8 OH 51 1.786519E+006 C2H5OH+OH=CH3CHO+HO2 + 4.380000E+004 8 OH 52 1.788783E+006 C2H5OH+OH=HOCH2CH2O2 + 4.380000E+004 8 OH 53 1.820863E+006 BUT2OL+OH=BUT2OLO2 + 4.380000E+004 8 OH 54 1.877648E+006 BUT2OL+OH=MEK+HO2 + 4.380000E+004 8 OH 58 2.343177E+003 OH+HCHO=HO2+CO + 4.380000E+004 8 OH 62 7.259754E+003 OH+CH3CHO=CH3CO3 + 4.380000E+004 8 OH 63 7.638182E+003 OH+CH3CHO=HCOCH2O2 + 4.380000E+004 8 OH 78 1.887010E+006 MEK+OH=MEKAO2 + 4.380000E+004 8 OH 79 1.887180E+006 MEK+OH=MEKBO2 + 4.380000E+004 8 OH 80 1.887209E+006 MEK+OH=MEKCO2 + 4.380000E+004 8 OH 105 1.887211E+006 HYETHO2H+OH=HOCH2CH2O2 + 4.380000E+004 8 OH 106 1.887220E+006 HYETHO2H+OH=HOCH2CHO+OH + 4.380000E+004 8 OH 108 1.887220E+006 ETHOHNO3+OH=HOCH2CHO+NO2 + 4.380000E+004 8 OH 111 1.887220E+006 ETHGLY+OH=HOCH2CHO+HO2 + 4.380000E+004 8 OH 113 1.887224E+006 HOCH2CHO+OH=GLYOX+HO2 + 4.380000E+004 8 OH 114 1.887240E+006 HOCH2CHO+OH=HOCH2CO3 + 4.380000E+004 8 OH 116 1.887547E+006 BUT2OLOOH+OH=BUT2OLO+OH + 4.380000E+004 8 OH 117 1.887585E+006 BUT2OLOOH+OH=BUT2OLO2 + 4.380000E+004 8 OH 120 1.887596E+006 BUT2OLNO3+OH=BUT2OLO+NO2 + 4.380000E+004 8 OH 121 1.887600E+006 BUT2OLO+OH=BIACET+HO2 + 4.380000E+004 8 OH 123 1.887601E+006 BUT2OLOH+OH=BUT2OLO+HO2 + 4.380000E+004 8 OH 151 1.052183E+000 OH+CH3OOH=CH3O2 + 4.380000E+004 8 OH 152 1.724518E+000 OH+CH3OOH=HCHO+OH + 4.380000E+004 8 OH 154 3.032840E-004 OH+CH3NO3=HCHO+NO2 + 4.380000E+004 8 OH 157 1.887602E+006 CH3CO2H+OH=CH3O2 + 4.380000E+004 8 OH 158 1.887603E+006 CH3CO3H+OH=CH3CO3 + 4.380000E+004 8 OH 160 1.887603E+006 PAN+OH=HCHO+CO+NO2 + 4.380000E+004 8 OH 162 1.887604E+006 HCOCH2OOH+OH=GLYOX+OH + 4.380000E+004 8 OH 163 1.887604E+006 HCOCH2OOH+OH=HCOCH2O2 + 4.380000E+004 8 OH 171 1.723715E-001 OH+GLYOX=HCOCO + 4.380000E+004 8 OH 181 1.449319E-001 OH+BIACET=BIACETO2 + 4.380000E+004 8 OH 182 1.887606E+006 MEKAOOH+OH=CO2C3CHO+OH + 4.380000E+004 8 OH 183 1.887606E+006 MEKAOOH+OH=MEKAO2 + 4.380000E+004 8 OH 186 1.887606E+006 MEKANO3+OH=CO2C3CHO+NO2 + 4.380000E+004 8 OH 192 1.887611E+006 CO2C3CHO+OH=CO2C3CO3 + 4.380000E+004 8 OH 194 1.887611E+006 MEKAOH+OH=CO2C3CHO+HO2 + 4.380000E+004 8 OH 196 1.887611E+006 MEKBOOH+OH=BIACET+OH + 4.380000E+004 8 OH 197 1.887612E+006 MEKBOOH+OH=MEKBO2 + 4.380000E+004 8 OH 201 1.887612E+006 MEKCOOH+OH=EGLYOX+OH + 4.380000E+004 8 OH 202 1.887612E+006 MEKCOOH+OH=MEKCO2 + 4.380000E+004 8 OH 208 1.713689E-003 OH+EGLYOX=C2H5CO3+CO + 4.380000E+004 8 OH 209 1.887612E+006 MEKCOH+OH=EGLYOX+HO2 + 4.380000E+004 8 OH 212 1.846204E-002 OH+C2H5OOH=C2H5O2 + 4.380000E+004 8 OH 213 5.698422E-002 OH+C2H5OOH=CH3CHO+OH + 4.380000E+004 8 OH 215 2.044549E-004 OH+C2H5NO3=CH3CHO+NO2 + 4.380000E+004 8 OH 220 1.887612E+006 HOCH2CO2H+OH=HCHO+HO2 + 4.380000E+004 8 OH 221 1.887612E+006 HOCH2CO3H+OH=HOCH2CO3 + 4.380000E+004 8 OH 223 1.887612E+006 PHAN+OH=HCHO+CO+NO2 + 4.380000E+004 8 OH 268 2.361248E-006 OH+BIACETOOH=BIACETO2 + 4.380000E+004 8 OH 269 3.006900E-006 OH+BIACETOOH=CO23C3CHO+OH + 4.380000E+004 8 OH 272 2.659275E-009 OH+BIACETOH=CO23C3CHO+HO2 + 4.380000E+004 8 OH 276 2.705804E-008 OH+CO23C3CHO=CH3CO3+CO+CO + 4.380000E+004 8 OH 277 1.887612E+006 HOCO3C4OOH+OH=HO1CO3C4O2 + 4.380000E+004 8 OH 278 1.887612E+006 HOCO3C4OOH+OH=HO1CO3CHO+OH + 4.380000E+004 8 OH 282 1.887612E+006 HO14CO2C4+OH=HO1CO3CHO+HO2 + 4.380000E+004 8 OH 285 1.887612E+006 HO1CO3CHO+OH=HOC2H4CO3+CO + 4.380000E+004 8 OH 287 1.887612E+006 CO2C3CO3H+OH=CO2C3CO3 + 4.380000E+004 8 OH 290 1.887612E+006 CO2C3PAN+OH=MGLYOX+CO+NO2 + 4.380000E+004 8 OH 293 1.887612E+006 HYPERACET+OH=CH3COCH2O2 + 4.380000E+004 8 OH 294 1.887612E+006 HYPERACET+OH=MGLYOX+OH + 4.380000E+004 8 OH 297 1.887612E+006 ACETOL+OH=MGLYOX+HO2 + 4.380000E+004 8 OH 301 1.088036E-004 OH+MGLYOX=CH3CO3+CO + 4.380000E+004 8 OH 302 1.887612E+006 PERPROACID+OH=C2H5CO3 + 4.380000E+004 8 OH 304 1.887612E+006 PROPACID+OH=C2H5O2 + 4.380000E+004 8 OH 305 1.887612E+006 PPN+OH=CH3CHO+CO+NO2 + 4.380000E+004 8 OH 308 8.019187E-007 OH+HCOCO2H=CO+HO2 + 4.380000E+004 8 OH 311 1.695559E-006 OH+HCOCO3H=HCOCO3 + 4.380000E+004 8 OH 320 4.747668E-003 OH+HOC2H4CO2H=HOCH2CH2O2 + 4.380000E+004 8 OH 322 1.539706E-002 OH+HOC2H4CO3H=HOC2H4CO3 + 4.380000E+004 8 OH 324 4.928229E+000 OH+C3PAN1=HOCH2CHO+CO+NO2 + 4.380000E+004 9 HO2 20 2.811649E+007 HO2+O3=OH + 4.380000E+004 9 HO2 21 2.784366E+005 OH+HO2= + 4.380000E+004 9 HO2 22 3.039367E+005 HO2+HO2=H2O2 + 4.380000E+004 9 HO2 22 3.039367E+005 HO2+HO2=H2O2 + 4.380000E+004 9 HO2 23 3.230521E+005 HO2+HO2=H2O2 + 4.380000E+004 9 HO2 23 3.230521E+005 HO2+HO2=H2O2 + 4.380000E+004 9 HO2 27 2.771666E+007 HO2+NO=OH+NO2 + 4.380000E+004 9 HO2 28 9.709862E+005 HO2+NO2=HO2NO2 + 4.380000E+004 9 HO2 30 4.581252E+004 HO2+NO3=OH+NO2 + 4.380000E+004 9 HO2 64 1.387673E+006 HOCH2CH2O2+HO2=HYETHO2H + 4.380000E+004 9 HO2 71 1.390376E+006 BUT2OLO2+HO2=BUT2OLOOH + 4.380000E+004 9 HO2 82 1.390457E+006 CH3O2+HO2=CH3OOH + 4.380000E+004 9 HO2 83 1.390465E+006 CH3O2+HO2=HCHO + 4.380000E+004 9 HO2 91 1.390483E+006 CH3CO3+HO2=CH3CO2H+O3 + 4.380000E+004 9 HO2 92 1.390531E+006 CH3CO3+HO2=CH3CO3H + 4.380000E+004 9 HO2 93 1.390584E+006 CH3CO3+HO2=CH3O2+OH + 4.380000E+004 9 HO2 99 1.390601E+006 HCOCH2O2+HO2=HCOCH2OOH + 4.380000E+004 9 HO2 124 1.390613E+006 MEKAO2+HO2=MEKAOOH + 4.380000E+004 9 HO2 131 1.390625E+006 MEKBO2+HO2=MEKBOOH + 4.380000E+004 9 HO2 137 1.390627E+006 MEKCO2+HO2=MEKCOOH + 4.380000E+004 9 HO2 143 1.390629E+006 C2H5O2+HO2=C2H5OOH + 4.380000E+004 9 HO2 172 1.390629E+006 HOCH2CO3+HO2=HO2+HCHO+OH + 4.380000E+004 9 HO2 173 1.390629E+006 HOCH2CO3+HO2=HOCH2CO2H+O3 + 4.380000E+004 9 HO2 174 1.390629E+006 HOCH2CO3+HO2=HOCH2CO3H + 4.380000E+004 9 HO2 225 1.390629E+006 BIACETO2+HO2=BIACETOOH + 4.380000E+004 9 HO2 231 1.390635E+006 HO1CO3C4O2+HO2=HOCO3C4OOH + 4.380000E+004 9 HO2 237 1.390636E+006 CO2C3CO3+HO2=CH3COCH2O2+OH + 4.380000E+004 9 HO2 238 1.390636E+006 CO2C3CO3+HO2=CO2C3CO3H + 4.380000E+004 9 HO2 243 1.390636E+006 CH3COCH2O2+HO2=CH3COCH2O+OH + 4.380000E+004 9 HO2 244 1.390636E+006 CH3COCH2O2+HO2=HYPERACET + 4.380000E+004 9 HO2 250 1.390636E+006 C2H5CO3+HO2=C2H5O2+OH + 4.380000E+004 9 HO2 251 1.390636E+006 C2H5CO3+HO2=PERPROACID + 4.380000E+004 9 HO2 252 1.390636E+006 C2H5CO3+HO2=PROPACID+O3 + 4.380000E+004 9 HO2 258 1.390636E+006 HCOCO3+HO2=HCOCO2H+O3 + 4.380000E+004 9 HO2 259 1.390636E+006 HCOCO3+HO2=HCOCO3H + 4.380000E+004 9 HO2 260 1.390636E+006 HCOCO3+HO2=HO2+CO+OH + 4.380000E+004 9 HO2 312 1.390636E+006 HOC2H4CO3+HO2=HOC2H4CO2H+O3 + 4.380000E+004 9 HO2 313 1.390637E+006 HOC2H4CO3+HO2=HOC2H4CO3H + 4.380000E+004 9 HO2 314 1.390637E+006 HOC2H4CO3+HO2=HOCH2CH2O2+OH diff --git a/travis/tests/short_ext4/output/mainSolverParameters.output.cmp b/travis/tests/short_ext4/output/mainSolverParameters.output.cmp index de5348703..da0774612 100644 --- a/travis/tests/short_ext4/output/mainSolverParameters.output.cmp +++ b/travis/tests/short_ext4/output/mainSolverParameters.output.cmp @@ -1,4 +1,4 @@ t currentStepSize previousStepSize LENRW LENIW NST NFE NETF NCFN NNI NSETUPS QU QCUR NOR LENRWLS LENIWLS LS_FLAG NFELS NJTV NPE NPS NLI NCFL - 4.35E+04 2.36900137E+001 2.36900137E+001 1129 50 127 150 1 0 149 39 4 4 0 21321 105 0 231 231 3 365 231 0 - 4.38E+04 6.00784207E+001 6.00784207E+001 1129 50 136 159 1 0 158 41 5 5 0 21321 105 0 263 263 3 406 263 0 - 4.41E+04 1.00000000E+002 1.00000000E+002 1129 50 140 163 1 0 162 42 5 5 0 21321 105 0 279 279 3 426 279 0 + 4.35E+04 2.73320937E+001 2.73320937E+001 1129 50 148 189 8 0 188 52 5 5 0 21533 117 0 178 178 3 335 178 0 + 4.38E+04 4.13057938E+001 4.13057938E+001 1129 50 158 199 8 0 198 53 4 4 0 21533 117 0 201 201 3 368 201 0 + 4.41E+04 6.40717035E+001 6.40717035E+001 1129 50 164 205 8 0 204 54 4 4 0 21533 117 0 210 210 4 383 210 0 diff --git a/travis/tests/short_ext4/output/photolysisRates.output.cmp b/travis/tests/short_ext4/output/photolysisRates.output.cmp index 370c728e1..98f5b6860 100644 --- a/travis/tests/short_ext4/output/photolysisRates.output.cmp +++ b/travis/tests/short_ext4/output/photolysisRates.output.cmp @@ -1,4 +1,4 @@ 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 - 4.350000E+004 7.859741E-006 3.373023E-004 3.806057E-006 5.954712E-003 1.810606E-002 1.242526E-001 1.283784E-003 2.319030E-007 1.435646E-005 2.702992E-005 1.508264E-006 7.229886E-006 8.641498E-006 5.184280E-006 2.393363E-005 6.464800E-007 6.464800E-007 3.315282E-004 1.700035E-007 1.382661E-006 1.062420E-006 1.062157E-006 4.277046E-005 6.448373E-006 1.373708E-005 9.232012E-005 1.999572E-004 2.872291E-006 4.068655E-007 4.459917E-007 6.077343E-007 1.083142E-006 3.326731E-006 1.155602E-005 3.269074E-004 - 4.380000E+004 7.851638E-006 3.372431E-004 3.804195E-006 5.952961E-003 1.810341E-002 1.242336E-001 1.283378E-003 2.317390E-007 1.434843E-005 2.701839E-005 1.507090E-006 7.224956E-006 8.636615E-006 5.181350E-006 2.392002E-005 6.462367E-007 6.462367E-007 3.314035E-004 1.698649E-007 1.381685E-006 1.062022E-006 1.061759E-006 4.276188E-005 6.447080E-006 1.373044E-005 9.229969E-005 1.999136E-004 2.870932E-006 4.065865E-007 4.456646E-007 6.073030E-007 1.082419E-006 3.324704E-006 1.154834E-005 3.267791E-004 - 4.410000E+004 7.833125E-006 3.371076E-004 3.799937E-006 5.948954E-003 1.809737E-002 1.241899E-001 1.282449E-003 2.313641E-007 1.433006E-005 2.699203E-005 1.504407E-006 7.213687E-006 8.625449E-006 5.174652E-006 2.388891E-005 6.456803E-007 6.456803E-007 3.311181E-004 1.695480E-007 1.379455E-006 1.061112E-006 1.060849E-006 4.274226E-005 6.444121E-006 1.371526E-005 9.225294E-005 1.998139E-004 2.867823E-006 4.059486E-007 4.449168E-007 6.063172E-007 1.080766E-006 3.320071E-006 1.153079E-005 3.264857E-004 + 4.350000E+004 7.859752E-006 3.373024E-004 3.806059E-006 5.954714E-003 1.810606E-002 1.242527E-001 1.283784E-003 2.319032E-007 1.435647E-005 2.702993E-005 1.508266E-006 7.229892E-006 8.641505E-006 5.184284E-006 2.393365E-005 6.464803E-007 6.464803E-007 3.315284E-004 1.700037E-007 1.382662E-006 1.062420E-006 1.062157E-006 4.277047E-005 6.448375E-006 1.373709E-005 9.232014E-005 1.999573E-004 2.872293E-006 4.068659E-007 4.459921E-007 6.077348E-007 1.083143E-006 3.326733E-006 1.155603E-005 3.269076E-004 + 4.380000E+004 7.853655E-006 3.372578E-004 3.804658E-006 5.953397E-003 1.810407E-002 1.242383E-001 1.283479E-003 2.317798E-007 1.435043E-005 2.702126E-005 1.507382E-006 7.226183E-006 8.637831E-006 5.182080E-006 2.392341E-005 6.462973E-007 6.462973E-007 3.314345E-004 1.698994E-007 1.381928E-006 1.062121E-006 1.061858E-006 4.276402E-005 6.447402E-006 1.373209E-005 9.230477E-005 1.999245E-004 2.871270E-006 4.066560E-007 4.457460E-007 6.074104E-007 1.082599E-006 3.325208E-006 1.155025E-005 3.268111E-004 + 4.410000E+004 7.832034E-006 3.370996E-004 3.799686E-006 5.948718E-003 1.809701E-002 1.241873E-001 1.282394E-003 2.313420E-007 1.432898E-005 2.699047E-005 1.504249E-006 7.213022E-006 8.624791E-006 5.174257E-006 2.388707E-005 6.456475E-007 6.456475E-007 3.311013E-004 1.695294E-007 1.379323E-006 1.061058E-006 1.060796E-006 4.274110E-005 6.443947E-006 1.371437E-005 9.225018E-005 1.998080E-004 2.867639E-006 4.059110E-007 4.448728E-007 6.062591E-007 1.080669E-006 3.319798E-006 1.152976E-005 3.264683E-004 diff --git a/travis/tests/short_ext4/output/photolysisRatesParameters.output.cmp b/travis/tests/short_ext4/output/photolysisRatesParameters.output.cmp index 0f1654295..2db9d6438 100644 --- a/travis/tests/short_ext4/output/photolysisRatesParameters.output.cmp +++ b/travis/tests/short_ext4/output/photolysisRatesParameters.output.cmp @@ -1,4 +1,4 @@ t latitude longitude secx cosx lha sinld cosld eqtime 4.320000E+004 4.920000E+001 -2.100000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 - 4.350000E+004 4.920000E+001 -2.100000E+000 1.918265E+000 5.213045E-001 9.005211E-004 -1.233787E-001 6.446834E-001 -5.896914E-002 - 4.380000E+004 4.920000E+001 -2.100000E+000 1.919011E+000 5.211018E-001 2.509381E-002 -1.233787E-001 6.446834E-001 -5.896914E-002 + 4.350000E+004 4.920000E+001 -2.100000E+000 1.918264E+000 5.213048E-001 -1.576951E-004 -1.233787E-001 6.446834E-001 -5.896914E-002 + 4.380000E+004 4.920000E+001 -2.100000E+000 1.918825E+000 5.211523E-001 2.175116E-002 -1.233787E-001 6.446834E-001 -5.896914E-002 diff --git a/travis/tests/short_ext4/output/productionRates.output.cmp b/travis/tests/short_ext4/output/productionRates.output.cmp index b11025c3e..046c6c0d1 100644 --- a/travis/tests/short_ext4/output/productionRates.output.cmp +++ b/travis/tests/short_ext4/output/productionRates.output.cmp @@ -1,116 +1,116 @@ time speciesNumber speciesName reactionNumber rate - 4.380000E+004 8 OH 15 8.352604E+005 O1D=OH+OH - 4.380000E+004 8 OH 15 8.352604E+005 O1D=OH+OH - 4.380000E+004 8 OH 20 1.878405E+005 HO2+O3=OH - 4.380000E+004 8 OH 27 1.619162E+006 HO2+NO=OH+NO2 - 4.380000E+004 8 OH 30 7.202435E+002 HO2+NO3=OH+NO2 - 4.380000E+004 8 OH 41 7.241114E+001 H2O2=OH+OH - 4.380000E+004 8 OH 41 7.241114E+001 H2O2=OH+OH - 4.380000E+004 8 OH 45 1.336239E+005 HONO=OH+NO - 4.380000E+004 8 OH 46 1.332817E+002 HNO3=OH+NO2 - 4.380000E+004 8 OH 93 1.175848E+002 CH3CO3+HO2=CH3O2+OH - 4.380000E+004 8 OH 106 2.028753E+001 HYETHO2H+OH=HOCH2CHO+OH - 4.380000E+004 8 OH 107 3.788754E-001 HYETHO2H=HOCH2CH2O+OH - 4.380000E+004 8 OH 116 6.892063E+002 BUT2OLOOH+OH=BUT2OLO+OH - 4.380000E+004 8 OH 118 6.146073E+000 BUT2OLOOH=BUT2OLAO+OH - 4.380000E+004 8 OH 150 1.098636E-001 CH3OOH=CH3O+OH - 4.380000E+004 8 OH 152 1.702536E+000 OH+CH3OOH=HCHO+OH - 4.380000E+004 8 OH 159 7.336022E-002 CH3CO3H=CH3O2+OH - 4.380000E+004 8 OH 162 2.608443E+000 HCOCH2OOH+OH=GLYOX+OH - 4.380000E+004 8 OH 164 2.310121E-002 HCOCH2OOH=HCOCH2O+OH - 4.380000E+004 8 OH 165 1.389906E-001 HCOCH2OOH=HO2+CO+HCHO+OH - 4.380000E+004 8 OH 172 3.656178E-001 HOCH2CO3+HO2=HO2+HCHO+OH - 4.380000E+004 8 OH 182 3.107298E+000 MEKAOOH+OH=CO2C3CHO+OH - 4.380000E+004 8 OH 184 1.641003E-002 MEKAOOH=MEKAO+OH - 4.380000E+004 8 OH 185 7.897609E-003 MEKAOOH=MEKAO+OH - 4.380000E+004 8 OH 196 1.268690E+000 MEKBOOH+OH=BIACET+OH - 4.380000E+004 8 OH 198 1.255514E-002 MEKBOOH=CH3CO3+CH3CHO+OH - 4.380000E+004 8 OH 199 1.739178E-002 MEKBOOH=MEKBO+OH - 4.380000E+004 8 OH 201 1.119735E-001 MEKCOOH+OH=EGLYOX+OH - 4.380000E+004 8 OH 203 2.181403E-003 MEKCOOH=C2H5CO3+HCHO+OH - 4.380000E+004 8 OH 204 3.021749E-003 MEKCOOH=MEKCO+OH - 4.380000E+004 8 OH 211 3.052286E-003 C2H5OOH=C2H5O+OH - 4.380000E+004 8 OH 213 9.486618E-002 OH+C2H5OOH=CH3CHO+OH - 4.380000E+004 8 OH 218 1.461233E-001 HCOCO=CO+OH - 4.380000E+004 8 OH 222 2.156926E-004 HOCH2CO3H=HCHO+HO2+OH - 4.380000E+004 8 OH 237 8.754664E-002 CO2C3CO3+HO2=CH3COCH2O2+OH - 4.380000E+004 8 OH 243 2.985867E-002 CH3COCH2O2+HO2=CH3COCH2O+OH - 4.380000E+004 8 OH 250 3.215926E-001 C2H5CO3+HO2=C2H5O2+OH - 4.380000E+004 8 OH 260 2.692729E-004 HCOCO3+HO2=HO2+CO+OH - 4.380000E+004 8 OH 266 8.651373E-008 BIACETOOH=BIACETO+OH - 4.380000E+004 8 OH 267 6.024272E-006 BIACETOOH=BIACETO+OH - 4.380000E+004 8 OH 269 2.010784E-006 OH+BIACETOOH=CO23C3CHO+OH - 4.380000E+004 8 OH 278 7.113596E-001 HOCO3C4OOH+OH=HO1CO3CHO+OH - 4.380000E+004 8 OH 279 8.487539E-003 HOCO3C4OOH=HO1CO3C4O+OH - 4.380000E+004 8 OH 280 4.084774E-003 HOCO3C4OOH=HO1CO3C4O+OH - 4.380000E+004 8 OH 288 5.069407E-005 CO2C3CO3H=CH3COCH2O2+OH - 4.380000E+004 8 OH 289 2.439739E-005 CO2C3CO3H=CH3COCH2O2+OH - 4.380000E+004 8 OH 294 2.257384E-003 HYPERACET+OH=MGLYOX+OH - 4.380000E+004 8 OH 295 5.005728E-005 HYPERACET=CH3CO3+HCHO+OH - 4.380000E+004 8 OH 296 6.934095E-005 HYPERACET=CH3COCH2O+OH - 4.380000E+004 8 OH 303 1.937795E-004 PERPROACID=C2H5O2+OH - 4.380000E+004 8 OH 309 1.070931E-007 HCOCO3H=HO2+CO+OH - 4.380000E+004 8 OH 310 3.221677E-007 HCOCO3H=HO2+CO+OH - 4.380000E+004 8 OH 314 1.105358E+000 HOC2H4CO3+HO2=HOCH2CH2O2+OH - 4.380000E+004 8 OH 321 5.771324E-004 HOC2H4CO3H=HOCH2CH2O2+OH - 4.380000E+004 9 HO2 16 9.908277E+005 OH+O3=HO2 - 4.380000E+004 9 HO2 17 1.164812E-002 OH+H2=HO2 - 4.380000E+004 9 HO2 18 2.084669E+000 OH+CO=HO2 - 4.380000E+004 9 HO2 19 1.803696E+002 OH+H2O2=HO2 - 4.380000E+004 9 HO2 26 5.244633E+002 OH+NO3=HO2+NO2 + 4.380000E+004 8 OH 15 8.355021E+005 O1D=OH+OH + 4.380000E+004 8 OH 15 8.355021E+005 O1D=OH+OH + 4.380000E+004 8 OH 20 1.859149E+005 HO2+O3=OH + 4.380000E+004 8 OH 27 1.609929E+006 HO2+NO=OH+NO2 + 4.380000E+004 8 OH 30 7.152359E+002 HO2+NO3=OH+NO2 + 4.380000E+004 8 OH 41 6.460503E+001 H2O2=OH+OH + 4.380000E+004 8 OH 41 6.460503E+001 H2O2=OH+OH + 4.380000E+004 8 OH 45 1.259044E+005 HONO=OH+NO + 4.380000E+004 8 OH 46 1.227211E+002 HNO3=OH+NO2 + 4.380000E+004 8 OH 93 1.045731E+002 CH3CO3+HO2=CH3O2+OH + 4.380000E+004 8 OH 106 1.800517E+001 HYETHO2H+OH=HOCH2CHO+OH + 4.380000E+004 8 OH 107 3.385509E-001 HYETHO2H=HOCH2CH2O+OH + 4.380000E+004 8 OH 116 6.152518E+002 BUT2OLOOH+OH=BUT2OLO+OH + 4.380000E+004 8 OH 118 5.524091E+000 BUT2OLOOH=BUT2OLAO+OH + 4.380000E+004 8 OH 150 8.736389E-002 CH3OOH=CH3O+OH + 4.380000E+004 8 OH 152 1.344668E+000 OH+CH3OOH=HCHO+OH + 4.380000E+004 8 OH 159 5.983588E-002 CH3CO3H=CH3O2+OH + 4.380000E+004 8 OH 162 2.095343E+000 HCOCH2OOH+OH=GLYOX+OH + 4.380000E+004 8 OH 164 1.868392E-002 HCOCH2OOH=HCOCH2O+OH + 4.380000E+004 8 OH 165 1.124161E-001 HCOCH2OOH=HO2+CO+HCHO+OH + 4.380000E+004 8 OH 172 3.221113E-001 HOCH2CO3+HO2=HO2+HCHO+OH + 4.380000E+004 8 OH 182 2.527917E+000 MEKAOOH+OH=CO2C3CHO+OH + 4.380000E+004 8 OH 184 1.344153E-002 MEKAOOH=MEKAO+OH + 4.380000E+004 8 OH 185 6.469342E-003 MEKAOOH=MEKAO+OH + 4.380000E+004 8 OH 196 1.027559E+000 MEKBOOH+OH=BIACET+OH + 4.380000E+004 8 OH 198 1.023899E-002 MEKBOOH=CH3CO3+CH3CHO+OH + 4.380000E+004 8 OH 199 1.418256E-002 MEKBOOH=MEKBO+OH + 4.380000E+004 8 OH 201 9.056400E-002 MEKCOOH+OH=EGLYOX+OH + 4.380000E+004 8 OH 203 1.776481E-003 MEKCOOH=C2H5CO3+HCHO+OH + 4.380000E+004 8 OH 204 2.460696E-003 MEKCOOH=MEKCO+OH + 4.380000E+004 8 OH 211 2.495825E-003 C2H5OOH=C2H5O+OH + 4.380000E+004 8 OH 213 7.704435E-002 OH+C2H5OOH=CH3CHO+OH + 4.380000E+004 8 OH 218 1.181665E-001 HCOCO=CO+OH + 4.380000E+004 8 OH 222 1.740465E-004 HOCH2CO3H=HCHO+HO2+OH + 4.380000E+004 8 OH 237 7.080915E-002 CO2C3CO3+HO2=CH3COCH2O2+OH + 4.380000E+004 8 OH 243 2.352476E-002 CH3COCH2O2+HO2=CH3COCH2O+OH + 4.380000E+004 8 OH 250 2.851552E-001 C2H5CO3+HO2=C2H5O2+OH + 4.380000E+004 8 OH 260 2.137822E-004 HCOCO3+HO2=HO2+CO+OH + 4.380000E+004 8 OH 266 5.593809E-008 BIACETOOH=BIACETO+OH + 4.380000E+004 8 OH 267 3.894929E-006 BIACETOOH=BIACETO+OH + 4.380000E+004 8 OH 269 1.291305E-006 OH+BIACETOOH=CO23C3CHO+OH + 4.380000E+004 8 OH 278 5.633661E-001 HOCO3C4OOH+OH=HO1CO3CHO+OH + 4.380000E+004 8 OH 279 6.767725E-003 HOCO3C4OOH=HO1CO3C4O+OH + 4.380000E+004 8 OH 280 3.257273E-003 HOCO3C4OOH=HO1CO3C4O+OH + 4.380000E+004 8 OH 288 3.755077E-005 CO2C3CO3H=CH3COCH2O2+OH + 4.380000E+004 8 OH 289 1.807300E-005 CO2C3CO3H=CH3COCH2O2+OH + 4.380000E+004 8 OH 294 1.611329E-003 HYPERACET+OH=MGLYOX+OH + 4.380000E+004 8 OH 295 3.597748E-005 HYPERACET=CH3CO3+HCHO+OH + 4.380000E+004 8 OH 296 4.983427E-005 HYPERACET=CH3COCH2O+OH + 4.380000E+004 8 OH 303 1.568847E-004 PERPROACID=C2H5O2+OH + 4.380000E+004 8 OH 309 7.837824E-008 HCOCO3H=HO2+CO+OH + 4.380000E+004 8 OH 310 2.357904E-007 HCOCO3H=HO2+CO+OH + 4.380000E+004 8 OH 314 9.562679E-001 HOC2H4CO3+HO2=HOCH2CH2O2+OH + 4.380000E+004 8 OH 321 4.550529E-004 HOC2H4CO3H=HOCH2CH2O2+OH + 4.380000E+004 9 HO2 16 9.842468E+005 OH+O3=HO2 + 4.380000E+004 9 HO2 17 9.820021E-003 OH+H2=HO2 + 4.380000E+004 9 HO2 18 1.741582E+000 OH+CO=HO2 + 4.380000E+004 9 HO2 19 1.598318E+002 OH+H2O2=HO2 + 4.380000E+004 9 HO2 26 5.227161E+002 OH+NO3=HO2+NO2 4.380000E+004 9 HO2 35 0.000000E+000 HSO3=HO2+SO3 - 4.380000E+004 9 HO2 48 5.202904E+005 HO2NO2=HO2+NO2 - 4.380000E+004 9 HO2 49 6.197847E+004 CH3OH+OH=HO2+HCHO - 4.380000E+004 9 HO2 51 8.194428E+004 C2H5OH+OH=CH3CHO+HO2 - 4.380000E+004 9 HO2 54 1.138248E+005 BUT2OL+OH=MEK+HO2 - 4.380000E+004 9 HO2 55 8.151060E+002 HCHO=CO+HO2+HO2 - 4.380000E+004 9 HO2 55 8.151060E+002 HCHO=CO+HO2+HO2 - 4.380000E+004 9 HO2 57 3.677486E-002 NO3+HCHO=HNO3+CO+HO2 - 4.380000E+004 9 HO2 58 3.572903E+003 OH+HCHO=HO2+CO - 4.380000E+004 9 HO2 59 4.638593E+003 C2H5O=CH3CHO+HO2 - 4.380000E+004 9 HO2 60 2.272422E+002 CH3CHO=CH3O2+HO2+CO - 4.380000E+004 9 HO2 109 5.078989E+003 HOCH2CH2O=HO2+HCHO+HCHO - 4.380000E+004 9 HO2 110 7.829153E+002 HOCH2CH2O=HO2+HOCH2CHO - 4.380000E+004 9 HO2 111 2.552225E-002 ETHGLY+OH=HOCH2CHO+HO2 - 4.380000E+004 9 HO2 113 8.448796E+000 HOCH2CHO+OH=GLYOX+HO2 - 4.380000E+004 9 HO2 115 6.550310E+000 HOCH2CHO=HO2+HCHO+HO2+CO - 4.380000E+004 9 HO2 115 6.550310E+000 HOCH2CHO=HO2+HCHO+HO2+CO - 4.380000E+004 9 HO2 119 8.356011E+004 BUT2OLAO=CH3CHO+CH3CHO+HO2 - 4.380000E+004 9 HO2 121 1.091326E+001 BUT2OLO+OH=BIACET+HO2 - 4.380000E+004 9 HO2 122 3.464820E-001 BUT2OLO=CH3CO3+CH3CHO+HO2 - 4.380000E+004 9 HO2 123 2.161139E-001 BUT2OLOH+OH=BUT2OLO+HO2 - 4.380000E+004 9 HO2 155 4.973579E+003 CH3O=HCHO+HO2 - 4.380000E+004 9 HO2 165 1.389906E-001 HCOCH2OOH=HO2+CO+HCHO+OH - 4.380000E+004 9 HO2 166 9.830041E+002 HCOCH2O=HCHO+CO+HO2 - 4.380000E+004 9 HO2 168 6.856091E-002 GLYOX=CO+CO+HO2+HO2 - 4.380000E+004 9 HO2 168 6.856091E-002 GLYOX=CO+CO+HO2+HO2 - 4.380000E+004 9 HO2 172 3.656178E-001 HOCH2CO3+HO2=HO2+HCHO+OH - 4.380000E+004 9 HO2 175 1.959341E+001 HOCH2CO3+NO=NO2+HO2+HCHO - 4.380000E+004 9 HO2 177 3.752502E-003 HOCH2CO3+NO3=NO2+HO2+HCHO - 4.380000E+004 9 HO2 178 1.205497E-002 HOCH2CO3=HCHO+HO2 - 4.380000E+004 9 HO2 189 7.030161E+001 MEKAO=CO2C3CHO+HO2 - 4.380000E+004 9 HO2 194 1.075948E-003 MEKAOH+OH=CO2C3CHO+HO2 - 4.380000E+004 9 HO2 206 2.579261E-003 EGLYOX=C2H5CO3+CO+HO2 - 4.380000E+004 9 HO2 209 4.801030E-005 MEKCOH+OH=EGLYOX+HO2 - 4.380000E+004 9 HO2 210 2.596569E-006 MEKCOH=C2H5CO3+HCHO+HO2 - 4.380000E+004 9 HO2 216 5.933211E-002 HCOCO=CO+CO+HO2 - 4.380000E+004 9 HO2 217 8.153035E-002 HCOCO=CO+CO+HO2 - 4.380000E+004 9 HO2 220 5.942301E-004 HOCH2CO2H+OH=HCHO+HO2 - 4.380000E+004 9 HO2 222 2.156926E-004 HOCH2CO3H=HCHO+HO2+OH - 4.380000E+004 9 HO2 260 2.692729E-004 HCOCO3+HO2=HO2+CO+OH - 4.380000E+004 9 HO2 261 1.443030E-002 HCOCO3+NO=HO2+CO+NO2 - 4.380000E+004 9 HO2 262 2.394331E-002 HCOCO3+NO2=HO2+CO+NO3 - 4.380000E+004 9 HO2 263 2.763670E-006 HCOCO3+NO3=HO2+CO+NO2 - 4.380000E+004 9 HO2 264 8.878330E-006 HCOCO3=CO+HO2 - 4.380000E+004 9 HO2 272 1.085302E-009 OH+BIACETOH=CO23C3CHO+HO2 - 4.380000E+004 9 HO2 273 3.887349E-008 CO23C3CHO=CH3CO3+CO+CO+HO2 - 4.380000E+004 9 HO2 282 6.169296E-004 HO14CO2C4+OH=HO1CO3CHO+HO2 - 4.380000E+004 9 HO2 286 1.445986E-002 HO1CO3CHO=HOC2H4CO3+HO2+CO - 4.380000E+004 9 HO2 297 4.431459E-006 ACETOL+OH=MGLYOX+HO2 - 4.380000E+004 9 HO2 298 1.864309E-007 ACETOL=CH3CO3+HCHO+HO2 - 4.380000E+004 9 HO2 299 1.868413E-004 MGLYOX=CH3CO3+CO+HO2 - 4.380000E+004 9 HO2 307 1.328746E-006 HCOCO2H=HO2+HO2+CO - 4.380000E+004 9 HO2 307 1.328746E-006 HCOCO2H=HO2+HO2+CO - 4.380000E+004 9 HO2 308 1.315019E-006 OH+HCOCO2H=CO+HO2 - 4.380000E+004 9 HO2 309 1.070931E-007 HCOCO3H=HO2+CO+OH - 4.380000E+004 9 HO2 310 3.221677E-007 HCOCO3H=HO2+CO+OH + 4.380000E+004 9 HO2 48 5.170102E+005 HO2NO2=HO2+NO2 + 4.380000E+004 9 HO2 49 6.159319E+004 CH3OH+OH=HO2+HCHO + 4.380000E+004 9 HO2 51 8.153074E+004 C2H5OH+OH=CH3CHO+HO2 + 4.380000E+004 9 HO2 54 1.135684E+005 BUT2OL+OH=MEK+HO2 + 4.380000E+004 9 HO2 55 7.467696E+002 HCHO=CO+HO2+HO2 + 4.380000E+004 9 HO2 55 7.467696E+002 HCHO=CO+HO2+HO2 + 4.380000E+004 9 HO2 57 3.380041E-002 NO3+HCHO=HNO3+CO+HO2 + 4.380000E+004 9 HO2 58 3.251061E+003 OH+HCHO=HO2+CO + 4.380000E+004 9 HO2 59 4.607512E+003 C2H5O=CH3CHO+HO2 + 4.380000E+004 9 HO2 60 2.083788E+002 CH3CHO=CH3O2+HO2+CO + 4.380000E+004 9 HO2 109 5.042830E+003 HOCH2CH2O=HO2+HCHO+HCHO + 4.380000E+004 9 HO2 110 7.773415E+002 HOCH2CH2O=HO2+HOCH2CHO + 4.380000E+004 9 HO2 111 2.245821E-002 ETHGLY+OH=HOCH2CHO+HO2 + 4.380000E+004 9 HO2 113 7.621768E+000 HOCH2CHO+OH=GLYOX+HO2 + 4.380000E+004 9 HO2 115 5.949660E+000 HOCH2CHO=HO2+HCHO+HO2+CO + 4.380000E+004 9 HO2 115 5.949660E+000 HOCH2CHO=HO2+HCHO+HO2+CO + 4.380000E+004 9 HO2 119 8.333799E+004 BUT2OLAO=CH3CHO+CH3CHO+HO2 + 4.380000E+004 9 HO2 121 8.849558E+000 BUT2OLO+OH=BIACET+HO2 + 4.380000E+004 9 HO2 122 2.828997E-001 BUT2OLO=CH3CO3+CH3CHO+HO2 + 4.380000E+004 9 HO2 123 1.907712E-001 BUT2OLOH+OH=BUT2OLO+HO2 + 4.380000E+004 9 HO2 155 4.397838E+003 CH3O=HCHO+HO2 + 4.380000E+004 9 HO2 165 1.124161E-001 HCOCH2OOH=HO2+CO+HCHO+OH + 4.380000E+004 9 HO2 166 8.804945E+002 HCOCH2O=HCHO+CO+HO2 + 4.380000E+004 9 HO2 168 5.586183E-002 GLYOX=CO+CO+HO2+HO2 + 4.380000E+004 9 HO2 168 5.586183E-002 GLYOX=CO+CO+HO2+HO2 + 4.380000E+004 9 HO2 172 3.221113E-001 HOCH2CO3+HO2=HO2+HCHO+OH + 4.380000E+004 9 HO2 175 1.752197E+001 HOCH2CO3+NO=NO2+HO2+HCHO + 4.380000E+004 9 HO2 177 3.351564E-003 HOCH2CO3+NO3=NO2+HO2+HCHO + 4.380000E+004 9 HO2 178 1.048742E-002 HOCH2CO3=HCHO+HO2 + 4.380000E+004 9 HO2 189 6.337793E+001 MEKAO=CO2C3CHO+HO2 + 4.380000E+004 9 HO2 194 8.620445E-004 MEKAOH+OH=CO2C3CHO+HO2 + 4.380000E+004 9 HO2 206 1.928044E-003 EGLYOX=C2H5CO3+CO+HO2 + 4.380000E+004 9 HO2 209 3.840804E-005 MEKCOH+OH=EGLYOX+HO2 + 4.380000E+004 9 HO2 210 2.091569E-006 MEKCOH=C2H5CO3+HCHO+HO2 + 4.380000E+004 9 HO2 216 4.798047E-002 HCOCO=CO+CO+HO2 + 4.380000E+004 9 HO2 217 6.593166E-002 HCOCO=CO+CO+HO2 + 4.380000E+004 9 HO2 220 4.757178E-004 HOCH2CO2H+OH=HCHO+HO2 + 4.380000E+004 9 HO2 222 1.740465E-004 HOCH2CO3H=HCHO+HO2+OH + 4.380000E+004 9 HO2 260 2.137822E-004 HCOCO3+HO2=HO2+CO+OH + 4.380000E+004 9 HO2 261 1.162916E-002 HCOCO3+NO=HO2+CO+NO2 + 4.380000E+004 9 HO2 262 1.929184E-002 HCOCO3+NO2=HO2+CO+NO3 + 4.380000E+004 9 HO2 263 2.224401E-006 HCOCO3+NO3=HO2+CO+NO2 + 4.380000E+004 9 HO2 264 6.960397E-006 HCOCO3=CO+HO2 + 4.380000E+004 9 HO2 272 6.892404E-010 OH+BIACETOH=CO23C3CHO+HO2 + 4.380000E+004 9 HO2 273 2.332299E-008 CO23C3CHO=CH3CO3+CO+CO+HO2 + 4.380000E+004 9 HO2 282 4.832331E-004 HO14CO2C4+OH=HO1CO3CHO+HO2 + 4.380000E+004 9 HO2 286 1.051984E-002 HO1CO3CHO=HOC2H4CO3+HO2+CO + 4.380000E+004 9 HO2 297 3.128190E-006 ACETOL+OH=MGLYOX+HO2 + 4.380000E+004 9 HO2 298 1.325100E-007 ACETOL=CH3CO3+HCHO+HO2 + 4.380000E+004 9 HO2 299 1.280781E-004 MGLYOX=CH3CO3+CO+HO2 + 4.380000E+004 9 HO2 307 9.722131E-007 HCOCO2H=HO2+HO2+CO + 4.380000E+004 9 HO2 307 9.722131E-007 HCOCO2H=HO2+HO2+CO + 4.380000E+004 9 HO2 308 9.556953E-007 OH+HCOCO2H=CO+HO2 + 4.380000E+004 9 HO2 309 7.837824E-008 HCOCO3H=HO2+CO+OH + 4.380000E+004 9 HO2 310 2.357904E-007 HCOCO3H=HO2+CO+OH diff --git a/travis/tests/short_ext4/output/speciesConcentrations.output.cmp b/travis/tests/short_ext4/output/speciesConcentrations.output.cmp index c74c59c0b..82f0f4bd2 100644 --- a/travis/tests/short_ext4/output/speciesConcentrations.output.cmp +++ b/travis/tests/short_ext4/output/speciesConcentrations.output.cmp @@ -1,5 +1,5 @@ t O3 NO2 NO HCHO CH3CHO MEK 4.320000E+004 1.200000E+012 6.200000E+009 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 - 4.350000E+004 1.201072E+012 4.760468E+009 1.295011E+009 7.244708E+006 1.842933E+007 1.289870E+007 - 4.380000E+004 1.200820E+012 4.628971E+009 1.253893E+009 1.713975E+007 4.553283E+007 2.953725E+007 - 4.410000E+004 1.200562E+012 4.497847E+009 1.216401E+009 2.773369E+007 7.241010E+007 4.646396E+007 + 4.350000E+004 1.201072E+012 4.760530E+009 1.294946E+009 7.244839E+006 1.842983E+007 1.289891E+007 + 4.380000E+004 1.200820E+012 4.628952E+009 1.253908E+009 1.713994E+007 4.553373E+007 2.953762E+007 + 4.410000E+004 1.200562E+012 4.497852E+009 1.216397E+009 2.773363E+007 7.240963E+007 4.646388E+007 diff --git a/travis/tests/short_ext4/short_ext4.out.cmp b/travis/tests/short_ext4/short_ext4.out.cmp index ca7cc7424..05b08a362 100644 --- a/travis/tests/short_ext4/short_ext4.out.cmp +++ b/travis/tests/short_ext4/short_ext4.out.cmp @@ -168,10 +168,10 @@ AtChem2 v1.1-dev ------------------ Final statistics ------------------ - No. steps = 140 No. f-s = 163 No. J-s = 279 No. LU-s = 42 - No. nonlinear iterations = 162 + No. steps = 164 No. f-s = 205 No. J-s = 210 No. LU-s = 54 + No. nonlinear iterations = 204 No. nonlinear convergence failures = 0 - No. error test failures = 1 + No. error test failures = 8 Runtime = 0 Deallocating memory. diff --git a/travis/tests/short_no_pre/output/mainSolverParameters.output.cmp b/travis/tests/short_no_pre/output/mainSolverParameters.output.cmp index eb589e004..da4328659 100644 --- a/travis/tests/short_no_pre/output/mainSolverParameters.output.cmp +++ b/travis/tests/short_no_pre/output/mainSolverParameters.output.cmp @@ -1,4 +1,4 @@ t currentStepSize previousStepSize LENRW LENIW NST NFE NETF NCFN NNI NSETUPS QU QCUR NOR LENRWLS LENIWLS LS_FLAG NFELS NJTV NPE NPS NLI NCFL - 4.35E+04 1.00000000E+002 1.00000000E+002 1129 50 4 8 0 0 4 0 1 1 0 21321 105 0 0 0 0 0 0 0 - 4.38E+04 1.00000000E+002 1.00000000E+002 1129 50 7 11 0 0 7 0 1 1 0 21321 105 0 0 0 0 0 0 0 - 4.41E+04 1.00000000E+002 1.00000000E+002 1129 50 10 14 0 0 10 0 1 1 0 21321 105 0 0 0 0 0 0 0 + 4.35E+04 1.00000000E+002 1.00000000E+002 1129 50 4 8 0 0 4 0 1 1 0 21533 117 0 0 0 0 0 0 0 + 4.38E+04 1.00000000E+002 1.00000000E+002 1129 50 7 11 0 0 7 0 1 1 0 21533 117 0 0 0 0 0 0 0 + 4.41E+04 1.00000000E+002 1.00000000E+002 1129 50 10 14 0 0 10 0 1 1 0 21533 117 0 0 0 0 0 0 0 diff --git a/travis/tests/spec_no_env_yes1/output/environmentVariables.output.cmp b/travis/tests/spec_no_env_yes1/output/environmentVariables.output.cmp index f4d44d655..0dd96902f 100644 --- a/travis/tests/spec_no_env_yes1/output/environmentVariables.output.cmp +++ b/travis/tests/spec_no_env_yes1/output/environmentVariables.output.cmp @@ -1,5 +1,5 @@ t M TEMP PRESS RH H2O DEC BLHEIGHT DILUTE JFAC ROOFOPEN RO2 - 9.000000E+002 2.504140E+019 2.930000E+002 1.013000E+003 -1.000000E+000 2.538000E+017 4.140000E-001 3.139962E+002 -1.000000E+000 1.000000E+000 1.000000E+000 0.000000E+000 - 1.800000E+003 2.504140E+019 2.930000E+002 1.013000E+003 -1.000000E+000 2.538000E+017 4.140000E-001 7.958564E+002 -1.000000E+000 1.000000E+000 1.000000E+000 0.000000E+000 - 2.700000E+003 2.504140E+019 2.930000E+002 1.013000E+003 -1.000000E+000 2.538000E+017 4.140000E-001 9.994917E+002 -1.000000E+000 1.000000E+000 1.000000E+000 0.000000E+000 - 3.600000E+003 2.504140E+019 2.930000E+002 1.013000E+003 -1.000000E+000 2.538000E+017 4.140000E-001 1.008904E+003 -1.000000E+000 1.000000E+000 1.000000E+000 0.000000E+000 + 9.000000E+002 2.504140E+019 2.930000E+002 1.013000E+003 -1.000000E+000 2.538000E+017 4.140000E-001 3.144914E+002 -1.000000E+000 1.000000E+000 1.000000E+000 0.000000E+000 + 1.800000E+003 2.504140E+019 2.930000E+002 1.013000E+003 -1.000000E+000 2.538000E+017 4.140000E-001 7.793907E+002 -1.000000E+000 1.000000E+000 1.000000E+000 0.000000E+000 + 2.700000E+003 2.504140E+019 2.930000E+002 1.013000E+003 -1.000000E+000 2.538000E+017 4.140000E-001 9.965343E+002 -1.000000E+000 1.000000E+000 1.000000E+000 0.000000E+000 + 3.600000E+003 2.504140E+019 2.930000E+002 1.013000E+003 -1.000000E+000 2.538000E+017 4.140000E-001 1.008505E+003 -1.000000E+000 1.000000E+000 1.000000E+000 0.000000E+000 diff --git a/travis/tests/spec_no_env_yes1/output/finalModelState.output.cmp b/travis/tests/spec_no_env_yes1/output/finalModelState.output.cmp index a18281dee..81e8945e9 100644 --- a/travis/tests/spec_no_env_yes1/output/finalModelState.output.cmp +++ b/travis/tests/spec_no_env_yes1/output/finalModelState.output.cmp @@ -1,10 +1,10 @@ - O 0.0000000000000000 - O3 1286732815900.6687 - NO 3089859.9369682092 - NO2 200795746243.18970 - NO3 1528175538.0212228 + O -1.5938283512511730E-016 + O3 1286732816164.6660 + NO 3089859.7243124763 + NO2 200795747229.39581 + NO3 1528176025.4916892 O1D 0.0000000000000000 - N2O5 15787409918.016905 + N2O5 15787409330.233166 OH 0.0000000000000000 HO2 0.0000000000000000 H2 0.0000000000000000 @@ -16,7 +16,7 @@ SO2 0.0000000000000000 SO3 0.0000000000000000 HSO3 0.0000000000000000 - NA 30098168521.381130 + NA 30098168034.910515 SA 0.0000000000000000 CL 0.0000000000000000 CH4 47500000000000.000 diff --git a/travis/tests/spec_no_env_yes1/output/instantaneousRates/3600.cmp b/travis/tests/spec_no_env_yes1/output/instantaneousRates/3600.cmp index 70151839e..774404f9d 100644 --- a/travis/tests/spec_no_env_yes1/output/instantaneousRates/3600.cmp +++ b/travis/tests/spec_no_env_yes1/output/instantaneousRates/3600.cmp @@ -1,18 +1,18 @@ reactionNumber reactionRate -1 0.000000E+000 -2 0.000000E+000 -3 0.000000E+000 -4 0.000000E+000 -5 0.000000E+000 -6 0.000000E+000 +1 -5.019430E-010 +2 -1.442800E-010 +3 -7.477421E-017 +4 -5.973275E-020 +5 -1.717338E-014 +6 -3.544463E-015 7 0.000000E+000 8 0.000000E+000 -9 6.346898E+004 -10 7.835889E+006 -11 1.004077E-006 -12 1.249468E+005 -13 1.883314E+005 -14 3.867440E+008 +9 6.355272E+004 +10 7.861161E+006 +11 1.006233E-006 +12 1.244137E+005 +13 1.878848E+005 +14 3.858268E+008 15 0.000000E+000 16 0.000000E+000 17 0.000000E+000 @@ -31,11 +31,11 @@ 30 0.000000E+000 31 0.000000E+000 32 0.000000E+000 -33 0.000000E+000 +33 -0.000000E+000 34 0.000000E+000 35 0.000000E+000 36 0.000000E+000 -37 6.351529E+006 +37 6.335761E+006 38 0.000000E+000 39 0.000000E+000 40 0.000000E+000 @@ -45,7 +45,7 @@ 44 0.000000E+000 45 0.000000E+000 46 0.000000E+000 -47 3.794291E+008 +47 3.784872E+008 48 0.000000E+000 49 0.000000E+000 50 0.000000E+000 diff --git a/travis/tests/spec_no_env_yes1/output/lossRates.output.cmp b/travis/tests/spec_no_env_yes1/output/lossRates.output.cmp index 648ee48ff..9fc3982ac 100644 --- a/travis/tests/spec_no_env_yes1/output/lossRates.output.cmp +++ b/travis/tests/spec_no_env_yes1/output/lossRates.output.cmp @@ -1,12 +1,12 @@ time speciesNumber speciesName reactionNumber rate - 3.600000E+003 8 OH 16 7.899358E+006 OH+O3=HO2 + 3.600000E+003 8 OH 16 7.924714E+006 OH+O3=HO2 3.600000E+003 8 OH 17 0.000000E+000 OH+H2=HO2 3.600000E+003 8 OH 18 0.000000E+000 OH+CO=HO2 3.600000E+003 8 OH 19 0.000000E+000 OH+H2O2=HO2 3.600000E+003 8 OH 21 0.000000E+000 OH+HO2= - 3.600000E+003 8 OH 24 1.884158E+005 OH+NO=HONO - 3.600000E+003 8 OH 25 3.947682E+008 OH+NO2=HNO3 - 3.600000E+003 8 OH 26 3.870573E+008 OH+NO3=HO2+NO2 + 3.600000E+003 8 OH 24 1.879664E+005 OH+NO=HONO + 3.600000E+003 8 OH 25 3.938758E+008 OH+NO2=HNO3 + 3.600000E+003 8 OH 26 3.861391E+008 OH+NO3=HO2+NO2 3.600000E+003 8 OH 29 0.000000E+000 OH+HO2NO2=NO2 3.600000E+003 8 OH 31 0.000000E+000 OH+HONO=NO2 3.600000E+003 8 OH 32 0.000000E+000 OH+HNO3=NO3 @@ -17,14 +17,14 @@ 3.600000E+003 8 OH 66 0.000000E+000 OH+HCHO=HO2+CO 3.600000E+003 8 OH 68 0.000000E+000 OH+CH3NO3=HCHO+NO2 3.600000E+003 8 OH 71 0.000000E+000 CH3OH+OH=HO2+HCHO - 3.600000E+003 9 HO2 20 7.899358E+006 HO2+O3=OH + 3.600000E+003 9 HO2 20 7.924714E+006 HO2+O3=OH 3.600000E+003 9 HO2 21 0.000000E+000 OH+HO2= 3.600000E+003 9 HO2 22 0.000000E+000 HO2+HO2=H2O2 3.600000E+003 9 HO2 22 0.000000E+000 HO2+HO2=H2O2 3.600000E+003 9 HO2 23 0.000000E+000 HO2+HO2=H2O2 3.600000E+003 9 HO2 23 0.000000E+000 HO2+HO2=H2O2 - 3.600000E+003 9 HO2 27 1.884158E+005 HO2+NO=OH+NO2 - 3.600000E+003 9 HO2 28 3.947682E+008 HO2+NO2=HO2NO2 - 3.600000E+003 9 HO2 30 3.870573E+008 HO2+NO3=OH+NO2 + 3.600000E+003 9 HO2 27 1.879664E+005 HO2+NO=OH+NO2 + 3.600000E+003 9 HO2 28 3.938758E+008 HO2+NO2=HO2NO2 + 3.600000E+003 9 HO2 30 3.861391E+008 HO2+NO3=OH+NO2 3.600000E+003 9 HO2 51 0.000000E+000 CH3O2+HO2=CH3OOH 3.600000E+003 9 HO2 52 0.000000E+000 CH3O2+HO2=HCHO diff --git a/travis/tests/spec_no_env_yes1/output/mainSolverParameters.output.cmp b/travis/tests/spec_no_env_yes1/output/mainSolverParameters.output.cmp index e71af9303..b815ea09c 100644 --- a/travis/tests/spec_no_env_yes1/output/mainSolverParameters.output.cmp +++ b/travis/tests/spec_no_env_yes1/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 - 9.00E+02 6.72040500E+001 6.72040500E+001 379 50 123 166 5 0 163 35 5 5 0 13446 105 0 210 210 3 338 210 0 - 1.80E+03 1.00000000E+002 1.00000000E+002 379 50 133 178 5 0 175 36 5 5 0 13446 105 0 233 233 3 372 233 0 - 2.70E+03 1.00000000E+002 1.00000000E+002 379 50 142 187 5 0 184 36 5 5 0 13446 105 0 251 251 3 399 251 0 - 3.60E+03 1.00000000E+002 1.00000000E+002 379 50 151 196 5 0 193 37 5 5 0 13446 105 0 269 269 3 426 269 0 + 9.00E+02 8.60261686E+001 4.72111649E+001 379 50 126 155 2 0 152 30 4 5 0 13508 117 0 124 124 3 245 124 0 + 1.80E+03 1.00000000E+002 8.60261686E+001 379 50 137 168 2 0 165 31 5 5 0 13508 117 0 138 138 3 272 138 0 + 2.70E+03 1.00000000E+002 1.00000000E+002 379 50 146 177 2 0 174 31 5 5 0 13508 117 0 152 152 3 295 152 0 + 3.60E+03 1.00000000E+002 1.00000000E+002 379 50 155 186 2 0 183 32 5 5 0 13508 117 0 164 164 3 316 164 0 diff --git a/travis/tests/spec_no_env_yes1/output/photolysisRatesParameters.output.cmp b/travis/tests/spec_no_env_yes1/output/photolysisRatesParameters.output.cmp index 4673f259c..a839afec5 100644 --- a/travis/tests/spec_no_env_yes1/output/photolysisRatesParameters.output.cmp +++ b/travis/tests/spec_no_env_yes1/output/photolysisRatesParameters.output.cmp @@ -1,5 +1,5 @@ t latitude longitude secx cosx lha sinld cosld eqtime 0.000000E+000 5.300000E+001 -1.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 - 9.000000E+002 5.300000E+001 -1.000000E+000 1.000000E+050 0.000000E+000 -3.072108E+000 3.212708E-001 5.509731E-001 -1.510746E-002 - 1.800000E+003 5.300000E+001 -1.000000E+000 1.000000E+050 0.000000E+000 -3.001771E+000 3.212708E-001 5.509731E-001 -1.510746E-002 - 2.700000E+003 5.300000E+001 -1.000000E+000 1.000000E+050 0.000000E+000 -2.936321E+000 3.212708E-001 5.509731E-001 -1.510746E-002 + 9.000000E+002 5.300000E+001 -1.000000E+000 1.000000E+050 0.000000E+000 -3.073493E+000 3.212708E-001 5.509731E-001 -1.510746E-002 + 1.800000E+003 5.300000E+001 -1.000000E+000 1.000000E+050 0.000000E+000 -3.004677E+000 3.212708E-001 5.509731E-001 -1.510746E-002 + 2.700000E+003 5.300000E+001 -1.000000E+000 1.000000E+050 0.000000E+000 -2.939228E+000 3.212708E-001 5.509731E-001 -1.510746E-002 diff --git a/travis/tests/spec_no_env_yes1/spec_no_env_yes1.out.cmp b/travis/tests/spec_no_env_yes1/spec_no_env_yes1.out.cmp index 05229bbb6..68a682b84 100644 --- a/travis/tests/spec_no_env_yes1/spec_no_env_yes1.out.cmp +++ b/travis/tests/spec_no_env_yes1/spec_no_env_yes1.out.cmp @@ -172,10 +172,10 @@ AtChem2 v1.1-dev ------------------ Final statistics ------------------ - No. steps = 151 No. f-s = 196 No. J-s = 269 No. LU-s = 37 - No. nonlinear iterations = 193 + No. steps = 155 No. f-s = 186 No. J-s = 164 No. LU-s = 32 + No. nonlinear iterations = 183 No. nonlinear convergence failures = 0 - No. error test failures = 5 + No. error test failures = 2 Runtime = 0 Deallocating memory. diff --git a/travis/tests/spec_no_env_yes2/output/environmentVariables.output.cmp b/travis/tests/spec_no_env_yes2/output/environmentVariables.output.cmp index aaf80323b..e555fd9f2 100644 --- a/travis/tests/spec_no_env_yes2/output/environmentVariables.output.cmp +++ b/travis/tests/spec_no_env_yes2/output/environmentVariables.output.cmp @@ -1,2 +1,2 @@ t M TEMP PRESS RH H2O DEC BLHEIGHT DILUTE JFAC ROOFOPEN RO2 - 3.000000E+002 2.497711E+021 2.938003E+002 1.013159E+005 -1.000000E+000 2.538000E+017 4.140000E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 0.000000E+000 + 3.000000E+002 2.497709E+021 2.938006E+002 1.013159E+005 -1.000000E+000 2.538000E+017 4.140000E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 0.000000E+000 diff --git a/travis/tests/spec_no_env_yes2/output/finalModelState.output.cmp b/travis/tests/spec_no_env_yes2/output/finalModelState.output.cmp index 6a257e756..06f4aa363 100644 --- a/travis/tests/spec_no_env_yes2/output/finalModelState.output.cmp +++ b/travis/tests/spec_no_env_yes2/output/finalModelState.output.cmp @@ -1,10 +1,10 @@ - O 8.3348681614397126E-052 - O3 1289248142572.0217 - NO 13276976.983146984 - NO2 2578963958497.9536 - NO3 260777204.28431961 + O -1.4380589519759839E-020 + O3 1289248142689.8040 + NO 13276975.832496129 + NO2 2578963956045.7896 + NO3 260774524.54304820 O1D 0.0000000000000000 - N2O5 28636468530.812546 + N2O5 28636471100.140583 OH 0.0000000000000000 HO2 0.0000000000000000 H2 0.0000000000000000 @@ -16,7 +16,7 @@ SO2 0.0000000000000000 SO3 0.0000000000000000 HSO3 0.0000000000000000 - NA 3489050259.1506567 + NA 3489050263.3644810 SA 0.0000000000000000 CL 0.0000000000000000 CH4 47500000000000.000 diff --git a/travis/tests/spec_no_env_yes2/output/instantaneousRates/300.cmp b/travis/tests/spec_no_env_yes2/output/instantaneousRates/300.cmp index 6f338b29c..b435064b3 100644 --- a/travis/tests/spec_no_env_yes2/output/instantaneousRates/300.cmp +++ b/travis/tests/spec_no_env_yes2/output/instantaneousRates/300.cmp @@ -1,18 +1,18 @@ reactionNumber reactionRate -1 -2.871715E-045 -2 -8.254545E-046 -3 -4.424349E-056 -4 -2.420810E-057 -5 -1.280019E-052 -6 -2.100593E-052 +1 -1.402081E-011 +2 -4.030183E-012 +3 -2.160150E-022 +4 -1.182312E-023 +5 -6.249524E-019 +6 -1.025588E-018 7 0.000000E+000 8 0.000000E+000 -9 2.774758E+005 -10 1.039346E+008 -11 1.849628E-003 -12 9.066820E+004 -13 4.154406E+005 -14 1.129604E+009 +9 2.775634E+005 +10 1.039342E+008 +11 1.850797E-003 +12 9.072962E+004 +13 4.155894E+005 +14 1.130003E+009 15 0.000000E+000 16 0.000000E+000 17 0.000000E+000 @@ -35,7 +35,7 @@ 34 0.000000E+000 35 0.000000E+000 36 0.000000E+000 -37 1.145696E+007 +37 1.146020E+007 38 0.000000E+000 39 0.000000E+000 40 0.000000E+000 @@ -45,7 +45,7 @@ 44 0.000000E+000 45 0.000000E+000 46 0.000000E+000 -47 1.027188E+009 +47 1.027526E+009 48 0.000000E+000 49 0.000000E+000 50 0.000000E+000 diff --git a/travis/tests/spec_no_env_yes2/output/mainSolverParameters.output.cmp b/travis/tests/spec_no_env_yes2/output/mainSolverParameters.output.cmp index 9d316f0ef..e4c3eefbd 100644 --- a/travis/tests/spec_no_env_yes2/output/mainSolverParameters.output.cmp +++ b/travis/tests/spec_no_env_yes2/output/mainSolverParameters.output.cmp @@ -1,2 +1,2 @@ t currentStepSize previousStepSize LENRW LENIW NST NFE NETF NCFN NNI NSETUPS QU QCUR NOR LENRWLS LENIWLS LS_FLAG NFELS NJTV NPE NPS NLI NCFL - 3.00E+02 1.20239099E-001 1.20239099E-001 379 50 138 178 7 0 177 41 5 5 0 13446 105 0 188 188 3 339 188 0 + 3.00E+02 3.71073493E-001 3.71073493E-001 379 50 138 174 6 0 173 41 5 5 0 13508 117 0 143 143 3 281 143 0 diff --git a/travis/tests/spec_no_env_yes2/spec_no_env_yes2.out.cmp b/travis/tests/spec_no_env_yes2/spec_no_env_yes2.out.cmp index 3ebd711c2..ea3e9cc41 100644 --- a/travis/tests/spec_no_env_yes2/spec_no_env_yes2.out.cmp +++ b/travis/tests/spec_no_env_yes2/spec_no_env_yes2.out.cmp @@ -171,10 +171,10 @@ AtChem2 v1.1-dev ------------------ Final statistics ------------------ - No. steps = 138 No. f-s = 178 No. J-s = 188 No. LU-s = 41 - No. nonlinear iterations = 177 + No. steps = 138 No. f-s = 174 No. J-s = 143 No. LU-s = 41 + No. nonlinear iterations = 173 No. nonlinear convergence failures = 0 - No. error test failures = 7 + No. error test failures = 6 Runtime = 0 Deallocating memory. diff --git a/travis/tests/spec_yes_env_no/output/environmentVariables.output.cmp b/travis/tests/spec_yes_env_no/output/environmentVariables.output.cmp index b9ddb5100..f32420548 100644 --- a/travis/tests/spec_yes_env_no/output/environmentVariables.output.cmp +++ b/travis/tests/spec_yes_env_no/output/environmentVariables.output.cmp @@ -1,3 +1,3 @@ t M TEMP PRESS RH H2O DEC BLHEIGHT DILUTE JFAC ROOFOPEN RO2 - 3.620000E+004 2.504140E+019 2.930000E+002 1.013000E+003 -1.000000E+000 2.538000E+017 4.140000E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 6.273163E+005 - 3.640000E+004 2.504140E+019 2.930000E+002 1.013000E+003 -1.000000E+000 2.538000E+017 4.140000E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 5.654878E+005 + 3.620000E+004 2.504140E+019 2.930000E+002 1.013000E+003 -1.000000E+000 2.538000E+017 4.140000E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 6.273035E+005 + 3.640000E+004 2.504140E+019 2.930000E+002 1.013000E+003 -1.000000E+000 2.538000E+017 4.140000E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 5.654853E+005 diff --git a/travis/tests/spec_yes_env_no/output/finalModelState.output.cmp b/travis/tests/spec_yes_env_no/output/finalModelState.output.cmp index 61a903114..6b1581b36 100644 --- a/travis/tests/spec_yes_env_no/output/finalModelState.output.cmp +++ b/travis/tests/spec_yes_env_no/output/finalModelState.output.cmp @@ -1,29 +1,29 @@ - O 23989.024660035564 - O3 1055414266533.8320 - NO 82089895088.633453 - NO2 180491070303.87747 - NO3 2538957.9237808078 - O1D 2.8131555296738938E-002 - N2O5 25063999.803775512 - OH 1322704.8331419874 - HO2 661863.11703916825 - H2 1177144.1848802364 - CO 2226522.5140643972 - H2O2 1275.6565325733513 - HONO 282830748.06415808 - HNO3 1066330976.2941661 - HO2NO2 2841508.6986658922 + O 23988.983502455874 + O3 1051157582055.3203 + NO 82090303710.560944 + NO2 180490662488.23129 + NO3 2538940.5884189699 + O1D 2.8131555296738848E-002 + N2O5 25063614.521073345 + OH 1322704.7860641438 + HO2 661860.49712605996 + H2 1177144.0714997272 + CO 2226522.3852290460 + H2O2 1275.6677137367099 + HONO 282830710.63104022 + HNO3 1066331033.7213356 + HO2NO2 2841497.5966238664 SO2 0.0000000000000000 SO3 0.0000000000000000 HSO3 0.0000000000000000 - NA 13469768.868113277 + NA 13469746.463154249 SA 0.0000000000000000 CL 0.0000000000000000 - CH4 47572116492369.000 - CH3O2 565487.82729927963 - CH3OOH 1111.0127040313380 - HCHO 143844251.30347332 - CH3NO3 146190.65389079254 - CH3O 38.481321979476959 - CH3O2NO2 748457.36975136551 - CH3OH 48.109935409672545 + CH4 47574081115974.469 + CH3O2 565485.28510584123 + CH3OOH 1111.0228261707193 + HCHO 143844267.68107349 + CH3NO3 146190.67013184368 + CH3O 38.481279970906215 + CH3O2NO2 748452.53330805572 + CH3OH 48.110383365991694 diff --git a/travis/tests/spec_yes_env_no/output/instantaneousRates/36400.cmp b/travis/tests/spec_yes_env_no/output/instantaneousRates/36400.cmp index 34f7ed09b..b8f4fa327 100644 --- a/travis/tests/spec_yes_env_no/output/instantaneousRates/36400.cmp +++ b/travis/tests/spec_yes_env_no/output/instantaneousRates/36400.cmp @@ -1,72 +1,72 @@ reactionNumber reactionRate -1 1.462407E+009 -2 4.203589E+008 -3 1.787457E+002 -4 4.643004E+003 -5 4.507922E+004 -6 9.304030E+003 -7 5.912628E+006 -8 1.707862E+007 -9 1.391158E+009 -10 5.811165E+006 -11 7.162158E+002 -12 5.430837E+006 -13 2.769647E+002 -14 5.687549E+005 -15 1.521891E+006 -16 9.583682E+004 -17 9.571282E-003 -18 7.004658E-001 -19 2.865186E-003 -20 1.349192E+003 -21 9.808123E+001 -22 1.219989E+000 -23 9.651489E-001 -24 1.101692E+006 -25 2.453077E+006 -26 6.652533E+001 -27 4.703270E+005 -28 9.225268E+004 -29 1.258633E+001 -30 6.635640E+000 -31 2.302797E+003 -32 2.332394E+002 +1 1.459659E+009 +2 4.195689E+008 +3 1.776903E+002 +4 4.646478E+003 +5 4.493551E+004 +6 9.274370E+003 +7 5.890887E+006 +8 1.701582E+007 +9 1.389195E+009 +10 5.780139E+006 +11 7.199914E+002 +12 5.402602E+006 +13 2.744411E+002 +14 5.635726E+005 +15 1.516295E+006 +16 9.534466E+004 +17 9.874631E-003 +18 7.226079E-001 +19 2.893439E-003 +20 1.338098E+003 +21 9.756052E+001 +22 1.209746E+000 +23 9.570453E-001 +24 1.103370E+006 +25 2.447150E+006 +26 6.593267E+001 +27 4.695812E+005 +28 9.174414E+004 +29 1.250464E+001 +30 6.556113E+000 +31 2.331457E+003 +32 2.364205E+002 33 0.000000E+000 34 0.000000E+000 35 0.000000E+000 -36 6.501664E+003 -37 9.928045E+003 +36 6.597640E+003 +37 9.838912E+003 38 0.000000E+000 -39 2.451314E+007 -40 4.281426E+008 -41 8.145478E-003 -42 1.431328E+009 -43 5.279030E+004 -44 3.644035E+005 -45 5.022671E+005 -46 5.298363E+002 -47 5.930839E+005 -48 9.455923E+004 +39 2.442300E+007 +40 4.264418E+008 +41 8.236262E-003 +42 1.429577E+009 +43 5.238039E+004 +44 3.615744E+005 +45 5.091299E+005 +46 5.377904E+002 +47 5.877592E+005 +48 9.404956E+004 49 0.000000E+000 -50 3.635042E+005 -51 1.828106E+000 -52 1.923814E-001 -53 3.644080E+002 -54 3.640436E+005 -55 6.258150E+005 -56 1.701697E+000 -57 7.954970E-002 -58 7.379445E-002 -59 7.379445E-002 -60 5.255796E-003 -61 9.030532E-003 -62 6.020354E-003 -63 3.724831E+003 -64 6.066956E+003 -65 2.026302E-001 -66 1.655008E+003 -67 1.243730E-001 -68 4.395664E-003 -69 3.640405E+005 -70 6.263981E+005 -71 5.641082E-005 +50 3.631169E+005 +51 1.813627E+000 +52 1.908577E-001 +53 3.640048E+002 +54 3.636408E+005 +55 6.226640E+005 +56 1.682110E+000 +57 7.895753E-002 +58 7.324513E-002 +59 7.324513E-002 +60 5.311771E-003 +61 9.115169E-003 +62 6.076779E-003 +63 3.784255E+003 +64 6.163439E+003 +65 2.042172E-001 +66 1.679241E+003 +67 1.263963E-001 +68 4.461171E-003 +69 3.636426E+005 +70 6.232363E+005 +71 5.690580E-005 diff --git a/travis/tests/spec_yes_env_no/output/mainSolverParameters.output.cmp b/travis/tests/spec_yes_env_no/output/mainSolverParameters.output.cmp index 06749dac8..68fcafcb4 100644 --- a/travis/tests/spec_yes_env_no/output/mainSolverParameters.output.cmp +++ b/travis/tests/spec_yes_env_no/output/mainSolverParameters.output.cmp @@ -1,3 +1,3 @@ t currentStepSize previousStepSize LENRW LENIW NST NFE NETF NCFN NNI NSETUPS QU QCUR NOR LENRWLS LENIWLS LS_FLAG NFELS NJTV NPE NPS NLI NCFL - 3.62E+04 1.40268320E+001 1.40268320E+001 359 50 215 261 3 0 260 52 5 5 0 13236 105 0 439 439 4 668 439 0 - 3.64E+04 2.65659860E+001 2.65659860E+001 359 50 227 273 3 0 272 53 5 5 0 13236 105 0 488 488 5 729 488 0 + 3.62E+04 1.04894431E+001 1.04894431E+001 359 50 227 276 6 0 275 50 4 4 0 13294 117 0 278 278 5 516 278 0 + 3.64E+04 1.73761438E+001 1.73761438E+001 359 50 241 291 6 0 290 51 5 5 0 13294 117 0 294 294 5 547 294 0 diff --git a/travis/tests/spec_yes_env_no/output/photolysisRates.output.cmp b/travis/tests/spec_yes_env_no/output/photolysisRates.output.cmp index 8a2805848..0ba9aeef0 100644 --- a/travis/tests/spec_yes_env_no/output/photolysisRates.output.cmp +++ b/travis/tests/spec_yes_env_no/output/photolysisRates.output.cmp @@ -1,3 +1,3 @@ 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 - 3.620000E+004 2.297812E-005 4.049217E-004 6.278073E-006 7.920612E-003 2.093887E-002 1.445325E-001 1.744710E-003 4.853412E-007 2.531408E-005 4.129245E-005 3.358372E-006 1.459417E-005 1.536709E-005 9.219150E-006 4.255158E-005 9.376923E-007 9.376923E-007 4.808679E-004 4.036607E-007 2.857686E-006 1.538256E-006 1.537876E-006 5.180059E-005 7.809819E-006 2.239040E-005 1.142997E-004 2.463780E-004 4.654583E-006 8.301140E-007 9.569401E-007 1.271193E-006 2.166273E-006 6.241273E-006 2.300128E-005 4.851910E-004 - 3.640000E+004 2.322608E-005 4.056631E-004 6.309058E-006 7.941628E-003 2.096801E-002 1.447390E-001 1.749686E-003 4.889544E-007 2.545435E-005 4.145971E-005 3.385066E-006 1.469608E-005 1.545397E-005 9.271275E-006 4.279045E-005 9.410051E-007 9.410051E-007 4.825667E-004 4.072339E-007 2.878284E-006 1.543666E-006 1.543284E-006 5.189120E-005 7.823479E-006 2.249697E-005 1.145253E-004 2.468492E-004 4.676673E-006 8.360540E-007 9.642807E-007 1.280610E-006 2.181318E-006 6.280404E-006 2.315960E-005 4.870469E-004 + 3.620000E+004 2.296661E-005 4.048871E-004 6.276630E-006 7.919632E-003 2.093751E-002 1.445228E-001 1.744478E-003 4.851732E-007 2.530755E-005 4.128466E-005 3.357131E-006 1.458943E-005 1.536304E-005 9.216723E-006 4.254045E-005 9.375379E-007 9.375379E-007 4.807886E-004 4.034946E-007 2.856727E-006 1.538004E-006 1.537623E-006 5.179636E-005 7.809181E-006 2.238543E-005 1.142892E-004 2.463560E-004 4.653554E-006 8.298377E-007 9.565987E-007 1.270755E-006 2.165573E-006 6.239452E-006 2.299391E-005 4.851045E-004 + 3.640000E+004 2.323439E-005 4.056878E-004 6.310092E-006 7.942328E-003 2.096899E-002 1.447459E-001 1.749852E-003 4.890753E-007 2.545904E-005 4.146529E-005 3.385959E-006 1.469949E-005 1.545687E-005 9.273016E-006 4.279842E-005 9.411156E-007 9.411156E-007 4.826234E-004 4.073535E-007 2.878972E-006 1.543846E-006 1.543464E-006 5.189421E-005 7.823934E-006 2.250052E-005 1.145328E-004 2.468649E-004 4.677410E-006 8.362526E-007 9.645262E-007 1.280925E-006 2.181821E-006 6.281711E-006 2.316489E-005 4.871088E-004 diff --git a/travis/tests/spec_yes_env_no/output/photolysisRatesParameters.output.cmp b/travis/tests/spec_yes_env_no/output/photolysisRatesParameters.output.cmp index 28e157c26..af57d5f91 100644 --- a/travis/tests/spec_yes_env_no/output/photolysisRatesParameters.output.cmp +++ b/travis/tests/spec_yes_env_no/output/photolysisRatesParameters.output.cmp @@ -1,3 +1,3 @@ t latitude longitude secx cosx lha sinld cosld eqtime 3.600000E+004 5.300000E+001 -1.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 - 3.620000E+004 5.300000E+001 -1.000000E+000 1.244900E+000 8.032775E-001 -5.057155E-001 3.212708E-001 5.509731E-001 -1.510746E-002 + 3.620000E+004 5.300000E+001 -1.000000E+000 1.245167E+000 8.031050E-001 -5.063616E-001 3.212708E-001 5.509731E-001 -1.510746E-002 diff --git a/travis/tests/spec_yes_env_no/output/speciesConcentrations.output.cmp b/travis/tests/spec_yes_env_no/output/speciesConcentrations.output.cmp index b1656a15b..436325dd3 100644 --- a/travis/tests/spec_yes_env_no/output/speciesConcentrations.output.cmp +++ b/travis/tests/spec_yes_env_no/output/speciesConcentrations.output.cmp @@ -1,4 +1,4 @@ t CH4 NO2 O3 3.600000E+004 4.745000E+013 2.640000E+011 1.320000E+012 - 3.620000E+004 4.751410E+013 1.875445E+011 1.181124E+012 - 3.640000E+004 4.757212E+013 1.804911E+011 1.055414E+012 + 3.620000E+004 4.751143E+013 1.875437E+011 1.186899E+012 + 3.640000E+004 4.757408E+013 1.804907E+011 1.051158E+012 diff --git a/travis/tests/spec_yes_env_no/spec_yes_env_no.out.cmp b/travis/tests/spec_yes_env_no/spec_yes_env_no.out.cmp index 96db369f4..708ecb493 100644 --- a/travis/tests/spec_yes_env_no/spec_yes_env_no.out.cmp +++ b/travis/tests/spec_yes_env_no/spec_yes_env_no.out.cmp @@ -173,10 +173,10 @@ AtChem2 v1.1-dev ------------------ Final statistics ------------------ - No. steps = 227 No. f-s = 273 No. J-s = 488 No. LU-s = 53 - No. nonlinear iterations = 272 + No. steps = 241 No. f-s = 291 No. J-s = 294 No. LU-s = 51 + No. nonlinear iterations = 290 No. nonlinear convergence failures = 0 - No. error test failures = 3 + No. error test failures = 6 Runtime = 0 Deallocating memory. diff --git a/travis/tests/spec_yes_env_no_with_jfac/output/environmentVariables.output.cmp b/travis/tests/spec_yes_env_no_with_jfac/output/environmentVariables.output.cmp index 2ea09cc63..7b1f7150b 100644 --- a/travis/tests/spec_yes_env_no_with_jfac/output/environmentVariables.output.cmp +++ b/travis/tests/spec_yes_env_no_with_jfac/output/environmentVariables.output.cmp @@ -1,3 +1,3 @@ t M TEMP PRESS RH H2O DEC BLHEIGHT DILUTE JFAC ROOFOPEN RO2 - 3.620000E+004 2.504140E+019 2.930000E+002 1.013000E+003 -1.000000E+000 2.538000E+017 4.140000E-001 -1.000000E+000 -1.000000E+000 1.130002E+000 1.000000E+000 6.602329E+005 - 3.640000E+004 2.504140E+019 2.930000E+002 1.013000E+003 -1.000000E+000 2.538000E+017 4.140000E-001 -1.000000E+000 -1.000000E+000 1.126877E+000 1.000000E+000 6.053009E+005 + 3.620000E+004 2.504140E+019 2.930000E+002 1.013000E+003 -1.000000E+000 2.538000E+017 4.140000E-001 -1.000000E+000 -1.000000E+000 1.130087E+000 1.000000E+000 6.602189E+005 + 3.640000E+004 2.504140E+019 2.930000E+002 1.013000E+003 -1.000000E+000 2.538000E+017 4.140000E-001 -1.000000E+000 -1.000000E+000 1.126917E+000 1.000000E+000 6.052989E+005 diff --git a/travis/tests/spec_yes_env_no_with_jfac/output/finalModelState.output.cmp b/travis/tests/spec_yes_env_no_with_jfac/output/finalModelState.output.cmp index 91ce22cab..2a1e3a670 100644 --- a/travis/tests/spec_yes_env_no_with_jfac/output/finalModelState.output.cmp +++ b/travis/tests/spec_yes_env_no_with_jfac/output/finalModelState.output.cmp @@ -1,29 +1,29 @@ - O 26227.068918897425 - O3 1051298532434.9766 - NO 89039959647.461823 - NO2 173374170303.70798 - NO3 2241368.0761726345 - O1D 3.1706519841485876E-002 - N2O5 21252658.096281450 - OH 1536389.9189115975 - HO2 709507.18205557822 - H2 1522396.6778959546 - CO 2888589.1110437801 - H2O2 1420.3155591893390 - HONO 342852860.71565396 - HNO3 1182483582.6729393 - HO2NO2 2919933.4569926141 + O 26227.052513171431 + O3 1053000367034.9961 + NO 89040104799.808319 + NO2 173374026311.55933 + NO3 2241358.2707462925 + O1D 3.1706519841485821E-002 + N2O5 21252030.962957900 + OH 1536389.5566749435 + HO2 709503.09410084505 + H2 1522396.5779057795 + CO 2888589.3803123971 + H2O2 1420.3218444362810 + HONO 342852958.31797230 + HNO3 1182483549.2771347 + HO2NO2 2919877.6275883475 SO2 0.0000000000000000 SO3 0.0000000000000000 HSO3 0.0000000000000000 - NA 11929412.765322823 + NA 11929512.352821555 SA 0.0000000000000000 CL 0.0000000000000000 - CH4 47574016061953.086 - CH3O2 605300.94562143181 - CH3OOH 1231.0516380798720 - HCHO 165041274.14309353 - CH3NO3 168064.39607323677 - CH3O 44.677926476089951 - CH3O2NO2 769510.57846532832 - CH3OH 52.987914902083411 + CH4 47573230599830.000 + CH3O2 605298.87405363994 + CH3OOH 1231.0569103897351 + HCHO 165041290.92904931 + CH3NO3 168064.41313628448 + CH3O 44.677883296085611 + CH3O2NO2 769506.64337027201 + CH3OH 52.988243042120637 diff --git a/travis/tests/spec_yes_env_no_with_jfac/output/instantaneousRates/36400.cmp b/travis/tests/spec_yes_env_no_with_jfac/output/instantaneousRates/36400.cmp index 9be612617..806784909 100644 --- a/travis/tests/spec_yes_env_no_with_jfac/output/instantaneousRates/36400.cmp +++ b/travis/tests/spec_yes_env_no_with_jfac/output/instantaneousRates/36400.cmp @@ -1,72 +1,72 @@ reactionNumber reactionRate -1 1.595374E+009 -2 4.585791E+008 -3 1.942374E+002 -4 5.505993E+003 -5 4.717069E+004 -6 9.735695E+003 -7 6.639116E+006 -8 1.917708E+007 -9 1.506337E+009 -10 5.552239E+006 -11 8.463092E+002 -12 5.173155E+006 -13 2.327943E+002 -14 4.780498E+005 -15 1.708887E+006 -16 1.108312E+005 -17 1.482736E-002 -18 1.088540E+000 -19 3.745677E-003 -20 1.436212E+003 -21 1.216898E+002 -22 1.393283E+000 -23 1.102244E+000 -24 1.390367E+006 -25 2.731741E+006 -26 6.767989E+001 -27 5.463667E+005 -28 9.456328E+004 -29 1.495047E+001 -30 6.213991E+000 -31 3.280323E+003 -32 3.046270E+002 +1 1.596690E+009 +2 4.589575E+008 +3 1.947124E+002 +4 5.505084E+003 +5 4.723622E+004 +6 9.749220E+003 +7 6.649148E+006 +8 1.920605E+007 +9 1.507283E+009 +10 5.564361E+006 +11 8.446350E+002 +12 5.184099E+006 +13 2.336494E+002 +14 4.798059E+005 +15 1.711469E+006 +16 1.110469E+005 +17 1.464269E-002 +18 1.075000E+000 +19 3.730144E-003 +20 1.440720E+003 +21 1.219143E+002 +22 1.397514E+000 +23 1.105591E+000 +24 1.389445E+006 +25 2.734175E+006 +26 6.791246E+001 +27 5.466542E+005 +28 9.476012E+004 +29 1.498510E+001 +30 6.242763E+000 +31 3.264471E+003 +32 3.029434E+002 33 0.000000E+000 34 0.000000E+000 35 0.000000E+000 -36 7.314163E+003 -37 8.345404E+003 +36 7.271359E+003 +37 8.375435E+003 38 0.000000E+000 -39 2.752508E+007 -40 4.806109E+008 -41 1.033744E-002 -42 1.547228E+009 -43 5.213101E+004 -44 3.598530E+005 -45 6.945213E+005 -46 6.718341E+002 -47 4.985397E+005 -48 9.674602E+004 +39 2.756667E+007 +40 4.813941E+008 +41 1.029089E-002 +42 1.548100E+009 +43 5.229393E+004 +44 3.609773E+005 +45 6.909372E+005 +46 6.678600E+002 +47 5.003337E+005 +48 9.693842E+004 49 0.000000E+000 -50 4.220396E+005 -51 2.085555E+000 -52 2.194742E-001 -53 4.228722E+002 -54 4.224494E+005 -55 6.408059E+005 -56 1.591868E+000 -57 9.065586E-002 -58 8.409711E-002 -59 8.409711E-002 -60 6.635071E-003 -61 1.174368E-002 -62 7.829119E-003 -63 4.891544E+003 -64 7.966901E+003 -65 2.068882E-001 -66 2.238784E+003 -67 1.637116E-001 -68 5.959752E-003 -69 4.224636E+005 -70 6.413448E+005 -71 7.288230E-005 +50 4.221707E+005 +51 2.091477E+000 +52 2.200974E-001 +53 4.230114E+002 +54 4.225884E+005 +55 6.420134E+005 +56 1.598924E+000 +57 9.089536E-002 +58 8.431928E-002 +59 8.431928E-002 +60 6.606444E-003 +61 1.169716E-002 +62 7.798106E-003 +63 4.860750E+003 +64 7.916904E+003 +65 2.062327E-001 +66 2.225503E+003 +67 1.626588E-001 +68 5.923715E-003 +69 4.225890E+005 +70 6.425584E+005 +71 7.260970E-005 diff --git a/travis/tests/spec_yes_env_no_with_jfac/output/lossRates.output.cmp b/travis/tests/spec_yes_env_no_with_jfac/output/lossRates.output.cmp index 93d1bee6f..60b069d25 100644 --- a/travis/tests/spec_yes_env_no_with_jfac/output/lossRates.output.cmp +++ b/travis/tests/spec_yes_env_no_with_jfac/output/lossRates.output.cmp @@ -1,30 +1,30 @@ time speciesNumber speciesName reactionNumber rate - 3.640000E+004 8 OH 16 1.512001E+009 OH+O3=HO2 - 3.640000E+004 8 OH 17 1.482736E-002 OH+H2=HO2 - 3.640000E+004 8 OH 18 1.088540E+000 OH+CO=HO2 - 3.640000E+004 8 OH 19 3.745677E-003 OH+H2O2=HO2 - 3.640000E+004 8 OH 21 1.557902E+003 OH+HO2= - 3.640000E+004 8 OH 24 1.512908E+009 OH+NO=HONO - 3.640000E+004 8 OH 25 8.819169E+006 OH+NO2=HNO3 - 3.640000E+004 8 OH 26 5.651505E+006 OH+NO3=HO2+NO2 - 3.640000E+004 8 OH 29 1.495047E+001 OH+HO2NO2=NO2 - 3.640000E+004 8 OH 31 3.280323E+003 OH+HONO=NO2 - 3.640000E+004 8 OH 32 3.046270E+002 OH+HNO3=NO3 + 3.640000E+004 8 OH 16 1.512958E+009 OH+O3=HO2 + 3.640000E+004 8 OH 17 1.464269E-002 OH+H2=HO2 + 3.640000E+004 8 OH 18 1.075000E+000 OH+CO=HO2 + 3.640000E+004 8 OH 19 3.730144E-003 OH+H2O2=HO2 + 3.640000E+004 8 OH 21 1.562634E+003 OH+HO2= + 3.640000E+004 8 OH 24 1.513863E+009 OH+NO=HONO + 3.640000E+004 8 OH 25 8.835560E+006 OH+NO2=HNO3 + 3.640000E+004 8 OH 26 5.664206E+006 OH+NO3=HO2+NO2 + 3.640000E+004 8 OH 29 1.498510E+001 OH+HO2NO2=NO2 + 3.640000E+004 8 OH 31 3.264471E+003 OH+HONO=NO2 + 3.640000E+004 8 OH 32 3.029434E+002 OH+HNO3=NO3 3.640000E+004 8 OH 34 0.000000E+000 OH+SO2=HSO3 - 3.640000E+004 8 OH 50 4.220396E+005 OH+CH4=CH3O2 - 3.640000E+004 8 OH 61 1.837875E-002 OH+CH3OOH=CH3O2 - 3.640000E+004 8 OH 62 2.620787E-002 OH+CH3OOH=HCHO+OH - 3.640000E+004 8 OH 66 1.509744E+004 OH+HCHO=HO2+CO - 3.640000E+004 8 OH 68 1.696714E-001 OH+CH3NO3=HCHO+NO2 - 3.640000E+004 8 OH 71 4.661008E+006 CH3OH+OH=HO2+HCHO - 3.640000E+004 9 HO2 20 1.512002E+009 HO2+O3=OH - 3.640000E+004 9 HO2 21 1.557902E+003 OH+HO2= - 3.640000E+004 9 HO2 22 1.560689E+003 HO2+HO2=H2O2 - 3.640000E+004 9 HO2 22 1.560689E+003 HO2+HO2=H2O2 - 3.640000E+004 9 HO2 23 1.562893E+003 HO2+HO2=H2O2 - 3.640000E+004 9 HO2 23 1.562893E+003 HO2+HO2=H2O2 - 3.640000E+004 9 HO2 27 1.513454E+009 HO2+NO=OH+NO2 - 3.640000E+004 9 HO2 28 8.913732E+006 HO2+NO2=HO2NO2 - 3.640000E+004 9 HO2 30 5.651511E+006 HO2+NO3=OH+NO2 - 3.640000E+004 9 HO2 51 6.425012E+005 CH3O2+HO2=CH3OOH - 3.640000E+004 9 HO2 52 6.425014E+005 CH3O2+HO2=HCHO + 3.640000E+004 8 OH 50 4.221707E+005 OH+CH4=CH3O2 + 3.640000E+004 8 OH 61 1.830360E-002 OH+CH3OOH=CH3O2 + 3.640000E+004 8 OH 62 2.610171E-002 OH+CH3OOH=HCHO+OH + 3.640000E+004 8 OH 66 1.500336E+004 OH+HCHO=HO2+CO + 3.640000E+004 8 OH 68 1.685825E-001 OH+CH3NO3=HCHO+NO2 + 3.640000E+004 8 OH 71 4.662836E+006 CH3OH+OH=HO2+HCHO + 3.640000E+004 9 HO2 20 1.512960E+009 HO2+O3=OH + 3.640000E+004 9 HO2 21 1.562634E+003 OH+HO2= + 3.640000E+004 9 HO2 22 1.565429E+003 HO2+HO2=H2O2 + 3.640000E+004 9 HO2 22 1.565429E+003 HO2+HO2=H2O2 + 3.640000E+004 9 HO2 23 1.567640E+003 HO2+HO2=H2O2 + 3.640000E+004 9 HO2 23 1.567640E+003 HO2+HO2=H2O2 + 3.640000E+004 9 HO2 27 1.514410E+009 HO2+NO=OH+NO2 + 3.640000E+004 9 HO2 28 8.930320E+006 HO2+NO2=HO2NO2 + 3.640000E+004 9 HO2 30 5.664212E+006 HO2+NO3=OH+NO2 + 3.640000E+004 9 HO2 51 6.429903E+005 CH3O2+HO2=CH3OOH + 3.640000E+004 9 HO2 52 6.429905E+005 CH3O2+HO2=HCHO diff --git a/travis/tests/spec_yes_env_no_with_jfac/output/mainSolverParameters.output.cmp b/travis/tests/spec_yes_env_no_with_jfac/output/mainSolverParameters.output.cmp index 2824e644e..1e9298a1e 100644 --- a/travis/tests/spec_yes_env_no_with_jfac/output/mainSolverParameters.output.cmp +++ b/travis/tests/spec_yes_env_no_with_jfac/output/mainSolverParameters.output.cmp @@ -1,3 +1,3 @@ t currentStepSize previousStepSize LENRW LENIW NST NFE NETF NCFN NNI NSETUPS QU QCUR NOR LENRWLS LENIWLS LS_FLAG NFELS NJTV NPE NPS NLI NCFL - 3.62E+04 1.36568792E+001 1.36568792E+001 359 50 228 266 1 0 265 51 5 5 0 13236 105 0 451 451 5 691 451 0 - 3.64E+04 2.13196257E+001 2.13196257E+001 359 50 240 279 1 0 278 52 5 5 0 13236 105 0 487 487 5 740 487 0 + 3.62E+04 1.15545665E+001 1.15545665E+001 359 50 230 272 3 0 271 51 5 5 0 13294 117 0 275 275 5 515 275 0 + 3.64E+04 1.82472282E+001 1.82472282E+001 359 50 246 288 3 0 287 52 4 4 0 13294 117 0 291 291 5 547 291 0 diff --git a/travis/tests/spec_yes_env_no_with_jfac/output/photolysisRates.output.cmp b/travis/tests/spec_yes_env_no_with_jfac/output/photolysisRates.output.cmp index 6aa78c9fc..c17b6ca52 100644 --- a/travis/tests/spec_yes_env_no_with_jfac/output/photolysisRates.output.cmp +++ b/travis/tests/spec_yes_env_no_with_jfac/output/photolysisRates.output.cmp @@ -1,3 +1,3 @@ t J1 J2 J3 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 J4 - 3.620000E+004 2.596171E-005 4.575515E-004 7.093782E-006 2.366054E-002 1.633190E-001 1.971453E-003 5.483839E-007 2.860292E-005 4.665811E-005 3.794578E-006 1.648996E-005 1.736357E-005 1.041690E-005 4.807988E-005 1.059546E-006 1.059546E-006 5.433568E-004 4.560853E-007 3.228890E-006 1.738154E-006 1.737723E-006 5.853344E-005 8.824910E-006 2.529964E-005 1.291556E-004 2.784007E-004 5.259366E-006 9.379439E-007 1.081237E-006 1.436313E-006 2.447674E-006 7.052080E-006 2.598918E-005 5.482397E-004 8.950000E-003 - 3.640000E+004 2.618198E-005 4.571593E-004 7.110659E-006 2.362943E-002 1.631106E-001 1.971862E-003 5.511231E-007 2.868903E-005 4.672607E-005 3.815526E-006 1.656438E-005 1.741788E-005 1.044948E-005 4.822826E-005 1.060517E-006 1.060517E-006 5.438550E-004 4.590328E-007 3.244222E-006 1.739718E-006 1.739288E-006 5.847828E-005 8.816594E-006 2.535519E-005 1.290641E-004 2.781857E-004 5.270838E-006 9.423464E-007 1.086893E-006 1.443433E-006 2.458624E-006 7.078667E-006 2.610378E-005 5.489094E-004 8.950000E-003 + 3.620000E+004 2.595579E-005 4.575621E-004 7.093327E-006 2.366138E-002 1.633246E-001 1.971442E-003 5.483101E-007 2.860059E-005 4.665627E-005 3.794014E-006 1.648795E-005 1.736210E-005 1.041602E-005 4.807588E-005 1.059520E-006 1.059520E-006 5.433433E-004 4.560060E-007 3.228477E-006 1.738111E-006 1.737681E-006 5.853493E-005 8.825135E-006 2.529814E-005 1.291581E-004 2.784065E-004 5.259056E-006 9.378252E-007 1.081085E-006 1.436121E-006 2.447379E-006 7.051363E-006 2.598609E-005 5.482216E-004 8.950000E-003 + 3.640000E+004 2.617917E-005 4.571643E-004 7.110443E-006 2.362983E-002 1.631132E-001 1.971857E-003 5.510881E-007 2.868793E-005 4.672521E-005 3.815258E-006 1.656343E-005 1.741719E-005 1.044907E-005 4.822636E-005 1.060505E-006 1.060505E-006 5.438487E-004 4.589951E-007 3.244026E-006 1.739698E-006 1.739268E-006 5.847898E-005 8.816700E-006 2.535448E-005 1.290653E-004 2.781885E-004 5.270692E-006 9.422901E-007 1.086821E-006 1.443342E-006 2.458485E-006 7.078328E-006 2.610232E-005 5.489008E-004 8.950000E-003 diff --git a/travis/tests/spec_yes_env_no_with_jfac/output/photolysisRatesParameters.output.cmp b/travis/tests/spec_yes_env_no_with_jfac/output/photolysisRatesParameters.output.cmp index 6b350de20..f6cc3e94f 100644 --- a/travis/tests/spec_yes_env_no_with_jfac/output/photolysisRatesParameters.output.cmp +++ b/travis/tests/spec_yes_env_no_with_jfac/output/photolysisRatesParameters.output.cmp @@ -1,3 +1,3 @@ t latitude longitude secx cosx lha sinld cosld eqtime 3.600000E+004 5.300000E+001 -1.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 - 3.620000E+004 5.300000E+001 -1.000000E+000 1.244974E+000 8.032297E-001 -5.058947E-001 3.212708E-001 5.509731E-001 -1.510746E-002 + 3.620000E+004 5.300000E+001 -1.000000E+000 1.245136E+000 8.031253E-001 -5.062855E-001 3.212708E-001 5.509731E-001 -1.510746E-002 diff --git a/travis/tests/spec_yes_env_no_with_jfac/output/productionRates.output.cmp b/travis/tests/spec_yes_env_no_with_jfac/output/productionRates.output.cmp index 3b7c84431..fdb268e4c 100644 --- a/travis/tests/spec_yes_env_no_with_jfac/output/productionRates.output.cmp +++ b/travis/tests/spec_yes_env_no_with_jfac/output/productionRates.output.cmp @@ -1,25 +1,25 @@ time speciesNumber speciesName reactionNumber rate - 3.640000E+004 8 OH 15 3.417774E+006 O1D=OH+OH - 3.640000E+004 8 OH 15 3.417774E+006 O1D=OH+OH - 3.640000E+004 8 OH 20 1.436212E+003 HO2+O3=OH - 3.640000E+004 8 OH 27 1.092733E+006 HO2+NO=OH+NO2 - 3.640000E+004 8 OH 30 1.242798E+001 HO2+NO3=OH+NO2 - 3.640000E+004 8 OH 41 2.067488E-002 H2O2=OH+OH - 3.640000E+004 8 OH 41 2.067488E-002 H2O2=OH+OH - 3.640000E+004 8 OH 45 1.389043E+006 HONO=OH+NO - 3.640000E+004 8 OH 46 1.343668E+003 HNO3=OH+NO2 - 3.640000E+004 8 OH 60 1.327014E-002 CH3OOH=CH3O+OH - 3.640000E+004 8 OH 62 1.565824E-002 OH+CH3OOH=HCHO+OH - 3.640000E+004 9 HO2 16 1.108312E+005 OH+O3=HO2 - 3.640000E+004 9 HO2 17 1.482736E-002 OH+H2=HO2 - 3.640000E+004 9 HO2 18 1.088540E+000 OH+CO=HO2 - 3.640000E+004 9 HO2 19 3.745677E-003 OH+H2O2=HO2 - 3.640000E+004 9 HO2 26 1.353598E+002 OH+NO3=HO2+NO2 + 3.640000E+004 8 OH 15 3.422939E+006 O1D=OH+OH + 3.640000E+004 8 OH 15 3.422939E+006 O1D=OH+OH + 3.640000E+004 8 OH 20 1.440720E+003 HO2+O3=OH + 3.640000E+004 8 OH 27 1.093308E+006 HO2+NO=OH+NO2 + 3.640000E+004 8 OH 30 1.248553E+001 HO2+NO3=OH+NO2 + 3.640000E+004 8 OH 41 2.058178E-002 H2O2=OH+OH + 3.640000E+004 8 OH 41 2.058178E-002 H2O2=OH+OH + 3.640000E+004 8 OH 45 1.381874E+006 HONO=OH+NO + 3.640000E+004 8 OH 46 1.335720E+003 HNO3=OH+NO2 + 3.640000E+004 8 OH 60 1.321289E-002 CH3OOH=CH3O+OH + 3.640000E+004 8 OH 62 1.559621E-002 OH+CH3OOH=HCHO+OH + 3.640000E+004 9 HO2 16 1.110469E+005 OH+O3=HO2 + 3.640000E+004 9 HO2 17 1.464269E-002 OH+H2=HO2 + 3.640000E+004 9 HO2 18 1.075000E+000 OH+CO=HO2 + 3.640000E+004 9 HO2 19 3.730144E-003 OH+H2O2=HO2 + 3.640000E+004 9 HO2 26 1.358249E+002 OH+NO3=HO2+NO2 3.640000E+004 9 HO2 35 0.000000E+000 HSO3=HO2+SO3 - 3.640000E+004 9 HO2 48 1.934920E+005 HO2NO2=HO2+NO2 - 3.640000E+004 9 HO2 63 1.467463E+004 HCHO=CO+HO2+HO2 - 3.640000E+004 9 HO2 63 1.467463E+004 HCHO=CO+HO2+HO2 - 3.640000E+004 9 HO2 65 6.206647E-001 NO3+HCHO=HNO3+CO+HO2 - 3.640000E+004 9 HO2 66 4.477567E+003 OH+HCHO=HO2+CO - 3.640000E+004 9 HO2 69 8.449273E+005 CH3O=HCHO+HO2 - 3.640000E+004 9 HO2 71 1.457646E-004 CH3OH+OH=HO2+HCHO + 3.640000E+004 9 HO2 48 1.938768E+005 HO2NO2=HO2+NO2 + 3.640000E+004 9 HO2 63 1.458225E+004 HCHO=CO+HO2+HO2 + 3.640000E+004 9 HO2 63 1.458225E+004 HCHO=CO+HO2+HO2 + 3.640000E+004 9 HO2 65 6.186981E-001 NO3+HCHO=HNO3+CO+HO2 + 3.640000E+004 9 HO2 66 4.451006E+003 OH+HCHO=HO2+CO + 3.640000E+004 9 HO2 69 8.451780E+005 CH3O=HCHO+HO2 + 3.640000E+004 9 HO2 71 1.452194E-004 CH3OH+OH=HO2+HCHO diff --git a/travis/tests/spec_yes_env_no_with_jfac/output/speciesConcentrations.output.cmp b/travis/tests/spec_yes_env_no_with_jfac/output/speciesConcentrations.output.cmp index aeaf8a96b..44de2c0f0 100644 --- a/travis/tests/spec_yes_env_no_with_jfac/output/speciesConcentrations.output.cmp +++ b/travis/tests/spec_yes_env_no_with_jfac/output/speciesConcentrations.output.cmp @@ -1,4 +1,4 @@ t CH4 NO2 O3 3.600000E+004 4.745000E+013 2.640000E+011 1.320000E+012 - 3.620000E+004 4.751336E+013 1.805839E+011 1.182726E+012 - 3.640000E+004 4.757402E+013 1.733742E+011 1.051299E+012 + 3.620000E+004 4.751175E+013 1.805830E+011 1.186219E+012 + 3.640000E+004 4.757323E+013 1.733740E+011 1.053000E+012 diff --git a/travis/tests/spec_yes_env_no_with_jfac/spec_yes_env_no_with_jfac.out.cmp b/travis/tests/spec_yes_env_no_with_jfac/spec_yes_env_no_with_jfac.out.cmp index ac954ecfe..ef9c25180 100644 --- a/travis/tests/spec_yes_env_no_with_jfac/spec_yes_env_no_with_jfac.out.cmp +++ b/travis/tests/spec_yes_env_no_with_jfac/spec_yes_env_no_with_jfac.out.cmp @@ -185,10 +185,10 @@ AtChem2 v1.1-dev ------------------ Final statistics ------------------ - No. steps = 240 No. f-s = 279 No. J-s = 487 No. LU-s = 52 - No. nonlinear iterations = 278 + No. steps = 246 No. f-s = 288 No. J-s = 291 No. LU-s = 52 + No. nonlinear iterations = 287 No. nonlinear convergence failures = 0 - No. error test failures = 1 + No. error test failures = 3 Runtime = 0 Deallocating memory. diff --git a/travis/tests/spec_yes_env_no_with_jfac_fixed/output/environmentVariables.output.cmp b/travis/tests/spec_yes_env_no_with_jfac_fixed/output/environmentVariables.output.cmp index 6d369199a..69ed09be7 100644 --- a/travis/tests/spec_yes_env_no_with_jfac_fixed/output/environmentVariables.output.cmp +++ b/travis/tests/spec_yes_env_no_with_jfac_fixed/output/environmentVariables.output.cmp @@ -1,3 +1,3 @@ t M TEMP PRESS RH H2O DEC BLHEIGHT DILUTE JFAC ROOFOPEN RO2 - 3.620000E+004 2.504140E+019 2.930000E+002 1.013000E+003 -1.000000E+000 2.538000E+017 4.140000E-001 -1.000000E+000 -1.000000E+000 9.000000E-001 1.000000E+000 6.031409E+005 - 3.640000E+004 2.504140E+019 2.930000E+002 1.013000E+003 -1.000000E+000 2.538000E+017 4.140000E-001 -1.000000E+000 -1.000000E+000 9.000000E-001 1.000000E+000 5.359887E+005 + 3.620000E+004 2.504140E+019 2.930000E+002 1.013000E+003 -1.000000E+000 2.538000E+017 4.140000E-001 -1.000000E+000 -1.000000E+000 9.000000E-001 1.000000E+000 6.031355E+005 + 3.640000E+004 2.504140E+019 2.930000E+002 1.013000E+003 -1.000000E+000 2.538000E+017 4.140000E-001 -1.000000E+000 -1.000000E+000 9.000000E-001 1.000000E+000 5.359866E+005 diff --git a/travis/tests/spec_yes_env_no_with_jfac_fixed/output/finalModelState.output.cmp b/travis/tests/spec_yes_env_no_with_jfac_fixed/output/finalModelState.output.cmp index 91aefd159..95a9bad7b 100644 --- a/travis/tests/spec_yes_env_no_with_jfac_fixed/output/finalModelState.output.cmp +++ b/travis/tests/spec_yes_env_no_with_jfac_fixed/output/finalModelState.output.cmp @@ -1,29 +1,29 @@ - O 22133.876045463647 - O3 1055813373470.6055 - NO 76237168696.763535 - NO2 186469733121.50082 - NO3 2831584.4307330642 - O1D 2.5318399767064924E-002 - N2O5 28861297.602300942 - OH 1163791.2922558524 - HO2 626725.80200233217 - H2 944365.17444398429 - CO 1782191.5359305977 - H2O2 1171.1002209398071 - HONO 238872156.02263349 - HNO3 975054222.11702347 - HO2NO2 2784499.6661554705 + O 22133.860522329633 + O3 1059174942859.3906 + NO 76237341412.371872 + NO2 186469562292.21063 + NO3 2831565.0888853739 + O1D 2.5318399767064629E-002 + N2O5 28860335.889926121 + OH 1163790.7286386993 + HO2 626721.48246986687 + H2 944365.11910070281 + CO 1782191.4435713687 + H2O2 1171.1054215886106 + HONO 238872135.97815970 + HNO3 975054307.65901959 + HO2NO2 2784444.6917235013 SO2 0.0000000000000000 SO3 0.0000000000000000 HSO3 0.0000000000000000 - NA 14970259.093911037 + NA 14970308.317511406 SA 0.0000000000000000 CL 0.0000000000000000 - CH4 47571932289167.414 - CH3O2 535988.69104159134 - CH3OOH 1023.9822451027982 - HCHO 128020939.08921579 - CH3NO3 129911.56566662832 - CH3O 33.873483311451750 - CH3O2NO2 732953.62406473316 - CH3OH 44.567994155947346 + CH4 47570380795603.359 + CH3O2 535986.58082234196 + CH3OOH 1023.9870890161009 + HCHO 128020953.23670554 + CH3NO3 129911.57972273759 + CH3O 33.873438977175844 + CH3O2NO2 732949.74523402436 + CH3OH 44.568242107587935 diff --git a/travis/tests/spec_yes_env_no_with_jfac_fixed/output/instantaneousRates/36400.cmp b/travis/tests/spec_yes_env_no_with_jfac_fixed/output/instantaneousRates/36400.cmp index 11b01f9c7..b87213801 100644 --- a/travis/tests/spec_yes_env_no_with_jfac_fixed/output/instantaneousRates/36400.cmp +++ b/travis/tests/spec_yes_env_no_with_jfac_fixed/output/instantaneousRates/36400.cmp @@ -1,72 +1,72 @@ reactionNumber reactionRate -1 1.349691E+009 -2 3.879594E+008 -3 1.650312E+002 -4 3.978865E+003 -5 4.299302E+004 -6 8.873453E+003 -7 5.323199E+006 -8 1.537605E+007 -9 1.292215E+009 -10 6.007350E+006 -11 6.174928E+002 -12 5.628286E+006 -13 3.194444E+002 -14 6.559882E+005 -15 1.370174E+006 -16 8.433718E+004 -17 6.733686E-003 -18 4.916729E-001 -19 2.310852E-003 -20 1.277992E+003 -21 8.169553E+001 -22 1.093795E+000 -23 8.653149E-001 -24 8.998637E+005 -25 2.229920E+006 -26 6.531679E+001 -27 4.135080E+005 -28 9.026605E+004 -29 1.085112E+001 -30 7.012746E+000 -31 1.709235E+003 -32 1.873356E+002 +1 1.351613E+009 +2 3.885116E+008 +3 1.657923E+002 +4 3.975807E+003 +5 4.309611E+004 +6 8.894731E+003 +7 5.338638E+006 +8 1.542065E+007 +9 1.293492E+009 +10 6.032340E+006 +11 6.147927E+002 +12 5.650332E+006 +13 3.217118E+002 +14 6.606445E+005 +15 1.374148E+006 +16 8.469889E+004 +17 6.568771E-003 +18 4.796734E-001 +19 2.293603E-003 +20 1.286719E+003 +21 8.208266E+001 +22 1.101757E+000 +23 8.716140E-001 +24 8.988832E+005 +25 2.234548E+006 +26 6.578887E+001 +27 4.141020E+005 +28 9.068215E+004 +29 1.091295E+001 +30 7.081294E+000 +31 1.692182E+003 +32 1.853599E+002 33 0.000000E+000 34 0.000000E+000 35 0.000000E+000 -36 5.936363E+003 -37 1.144328E+004 +36 5.867296E+003 +37 1.152561E+004 38 0.000000E+000 -39 2.206943E+007 -40 3.854718E+008 -41 6.721237E-003 -42 1.331170E+009 -43 5.302859E+004 -44 3.660483E+005 -45 3.814144E+005 -46 4.353816E+002 -47 6.836012E+005 -48 9.267377E+004 +39 2.213344E+007 +40 3.866805E+008 +41 6.662865E-003 +42 1.332372E+009 +43 5.335114E+004 +44 3.682744E+005 +45 3.771653E+005 +46 4.302320E+002 +47 6.885193E+005 +48 9.309933E+004 49 0.000000E+000 -50 3.197645E+005 -51 1.640581E+000 -52 1.726471E-001 -53 3.206921E+002 -54 3.203714E+005 -55 6.129256E+005 -56 1.800130E+000 -57 7.145804E-002 -58 6.628821E-002 -59 6.628821E-002 -60 4.354106E-003 -61 7.312403E-003 -62 4.874935E-003 -63 2.978737E+003 -64 4.851750E+003 -65 2.009602E-001 -66 1.293639E+003 -67 9.930431E-002 -68 3.430489E-003 -69 3.203728E+005 -70 6.135207E+005 -71 4.591288E-005 +50 3.201062E+005 +51 1.651858E+000 +52 1.738339E-001 +53 3.210234E+002 +54 3.207024E+005 +55 6.155031E+005 +56 1.816994E+000 +57 7.192027E-002 +58 6.671700E-002 +59 6.671700E-002 +60 4.318084E-003 +61 7.260801E-003 +62 4.840534E-003 +63 2.941408E+003 +64 4.791135E+003 +65 1.996851E-001 +66 1.279020E+003 +67 9.803774E-002 +68 3.391102E-003 +69 3.207145E+005 +70 6.160903E+005 +71 4.561245E-005 diff --git a/travis/tests/spec_yes_env_no_with_jfac_fixed/output/lossRates.output.cmp b/travis/tests/spec_yes_env_no_with_jfac_fixed/output/lossRates.output.cmp index 5601d4330..a84c87064 100644 --- a/travis/tests/spec_yes_env_no_with_jfac_fixed/output/lossRates.output.cmp +++ b/travis/tests/spec_yes_env_no_with_jfac_fixed/output/lossRates.output.cmp @@ -1,30 +1,30 @@ time speciesNumber speciesName reactionNumber rate - 3.640000E+004 8 OH 16 1.298307E+009 OH+O3=HO2 - 3.640000E+004 8 OH 17 6.733686E-003 OH+H2=HO2 - 3.640000E+004 8 OH 18 4.916729E-001 OH+CO=HO2 - 3.640000E+004 8 OH 19 2.310852E-003 OH+H2O2=HO2 - 3.640000E+004 8 OH 21 1.359687E+003 OH+HO2= - 3.640000E+004 8 OH 24 1.298748E+009 OH+NO=HONO - 3.640000E+004 8 OH 25 8.945443E+006 OH+NO2=HNO3 - 3.640000E+004 8 OH 26 6.284658E+006 OH+NO3=HO2+NO2 - 3.640000E+004 8 OH 29 1.085112E+001 OH+HO2NO2=NO2 - 3.640000E+004 8 OH 31 1.709235E+003 OH+HONO=NO2 - 3.640000E+004 8 OH 32 1.873356E+002 OH+HNO3=NO3 + 3.640000E+004 8 OH 16 1.299609E+009 OH+O3=HO2 + 3.640000E+004 8 OH 17 6.568771E-003 OH+H2=HO2 + 3.640000E+004 8 OH 18 4.796734E-001 OH+CO=HO2 + 3.640000E+004 8 OH 19 2.293603E-003 OH+H2O2=HO2 + 3.640000E+004 8 OH 21 1.368801E+003 OH+HO2= + 3.640000E+004 8 OH 24 1.300046E+009 OH+NO=HONO + 3.640000E+004 8 OH 25 8.979845E+006 OH+NO2=HNO3 + 3.640000E+004 8 OH 26 6.311364E+006 OH+NO3=HO2+NO2 + 3.640000E+004 8 OH 29 1.091295E+001 OH+HO2NO2=NO2 + 3.640000E+004 8 OH 31 1.692182E+003 OH+HONO=NO2 + 3.640000E+004 8 OH 32 1.853599E+002 OH+HNO3=NO3 3.640000E+004 8 OH 34 0.000000E+000 OH+SO2=HSO3 - 3.640000E+004 8 OH 50 3.197645E+005 OH+CH4=CH3O2 - 3.640000E+004 8 OH 61 1.166651E-002 OH+CH3OOH=CH3O2 - 3.640000E+004 8 OH 62 1.654144E-002 OH+CH3OOH=HCHO+OH - 3.640000E+004 8 OH 66 9.124327E+003 OH+HCHO=HO2+CO - 3.640000E+004 8 OH 68 1.027348E-001 OH+CH3NO3=HCHO+NO2 - 3.640000E+004 8 OH 71 3.537234E+006 CH3OH+OH=HO2+HCHO - 3.640000E+004 9 HO2 20 1.298308E+009 HO2+O3=OH - 3.640000E+004 9 HO2 21 1.359687E+003 OH+HO2= - 3.640000E+004 9 HO2 22 1.361875E+003 HO2+HO2=H2O2 - 3.640000E+004 9 HO2 22 1.361875E+003 HO2+HO2=H2O2 - 3.640000E+004 9 HO2 23 1.363605E+003 HO2+HO2=H2O2 - 3.640000E+004 9 HO2 23 1.363605E+003 HO2+HO2=H2O2 - 3.640000E+004 9 HO2 27 1.299162E+009 HO2+NO=OH+NO2 - 3.640000E+004 9 HO2 28 9.035709E+006 HO2+NO2=HO2NO2 - 3.640000E+004 9 HO2 30 6.284665E+006 HO2+NO3=OH+NO2 - 3.640000E+004 9 HO2 51 5.051463E+005 CH3O2+HO2=CH3OOH - 3.640000E+004 9 HO2 52 5.051464E+005 CH3O2+HO2=HCHO + 3.640000E+004 8 OH 50 3.201062E+005 OH+CH4=CH3O2 + 3.640000E+004 8 OH 61 1.157889E-002 OH+CH3OOH=CH3O2 + 3.640000E+004 8 OH 62 1.641942E-002 OH+CH3OOH=HCHO+OH + 3.640000E+004 8 OH 66 9.011763E+003 OH+HCHO=HO2+CO + 3.640000E+004 8 OH 68 1.014288E-001 OH+CH3NO3=HCHO+NO2 + 3.640000E+004 8 OH 71 3.541552E+006 CH3OH+OH=HO2+HCHO + 3.640000E+004 9 HO2 20 1.299610E+009 HO2+O3=OH + 3.640000E+004 9 HO2 21 1.368801E+003 OH+HO2= + 3.640000E+004 9 HO2 22 1.371005E+003 HO2+HO2=H2O2 + 3.640000E+004 9 HO2 22 1.371005E+003 HO2+HO2=H2O2 + 3.640000E+004 9 HO2 23 1.372748E+003 HO2+HO2=H2O2 + 3.640000E+004 9 HO2 23 1.372748E+003 HO2+HO2=H2O2 + 3.640000E+004 9 HO2 27 1.300460E+009 HO2+NO=OH+NO2 + 3.640000E+004 9 HO2 28 9.070527E+006 HO2+NO2=HO2NO2 + 3.640000E+004 9 HO2 30 6.311371E+006 HO2+NO3=OH+NO2 + 3.640000E+004 9 HO2 51 5.061656E+005 CH3O2+HO2=CH3OOH + 3.640000E+004 9 HO2 52 5.061658E+005 CH3O2+HO2=HCHO diff --git a/travis/tests/spec_yes_env_no_with_jfac_fixed/output/mainSolverParameters.output.cmp b/travis/tests/spec_yes_env_no_with_jfac_fixed/output/mainSolverParameters.output.cmp index cdcba8bff..386748ff9 100644 --- a/travis/tests/spec_yes_env_no_with_jfac_fixed/output/mainSolverParameters.output.cmp +++ b/travis/tests/spec_yes_env_no_with_jfac_fixed/output/mainSolverParameters.output.cmp @@ -1,3 +1,3 @@ t currentStepSize previousStepSize LENRW LENIW NST NFE NETF NCFN NNI NSETUPS QU QCUR NOR LENRWLS LENIWLS LS_FLAG NFELS NJTV NPE NPS NLI NCFL - 3.62E+04 1.04403626E+001 1.04403626E+001 359 50 212 254 3 0 253 49 5 5 0 13236 105 0 433 433 4 660 433 0 - 3.64E+04 2.59559064E+001 1.71308493E+001 359 50 226 269 3 0 268 50 5 5 0 13236 105 0 470 470 5 712 470 0 + 3.62E+04 9.47988279E+000 9.47988279E+000 359 50 231 277 5 0 276 52 4 4 0 13294 117 0 274 274 5 514 274 0 + 3.64E+04 2.48531409E+001 2.48531409E+001 359 50 244 292 5 0 291 54 5 5 0 13294 117 0 288 288 5 543 288 0 diff --git a/travis/tests/spec_yes_env_no_with_jfac_fixed/output/photolysisRates.output.cmp b/travis/tests/spec_yes_env_no_with_jfac_fixed/output/photolysisRates.output.cmp index 95bdb9a8e..019cf693e 100644 --- a/travis/tests/spec_yes_env_no_with_jfac_fixed/output/photolysisRates.output.cmp +++ b/travis/tests/spec_yes_env_no_with_jfac_fixed/output/photolysisRates.output.cmp @@ -1,3 +1,3 @@ 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 - 3.620000E+004 2.066445E-005 3.643819E-004 5.648277E-006 7.127200E-003 1.884311E-002 1.300659E-001 1.569919E-003 4.365756E-007 2.277368E-005 3.715247E-005 3.020825E-006 1.312822E-005 1.382480E-005 8.293892E-006 3.828109E-005 8.437103E-007 8.437103E-007 4.326719E-004 3.630659E-007 2.570597E-006 1.384083E-006 1.383741E-006 4.661470E-005 7.027958E-006 2.014452E-005 1.028552E-004 2.217099E-004 4.187707E-006 7.467220E-007 8.607758E-007 1.143470E-006 1.948682E-006 5.614637E-006 2.069100E-005 4.365527E-004 - 3.640000E+004 2.090277E-005 3.650947E-004 5.678065E-006 7.147406E-003 1.887113E-002 1.302646E-001 1.574704E-003 4.400488E-007 2.290852E-005 3.731327E-005 3.046484E-006 1.322618E-005 1.390833E-005 8.344000E-006 3.851073E-005 8.468952E-007 8.468952E-007 4.343052E-004 3.665005E-007 2.590397E-006 1.389284E-006 1.388940E-006 4.670182E-005 7.041093E-006 2.024697E-005 1.030721E-004 2.221629E-004 4.208943E-006 7.524319E-007 8.678319E-007 1.152522E-006 1.963143E-006 5.652253E-006 2.084319E-005 4.383370E-004 + 3.620000E+004 2.067294E-005 3.644074E-004 5.649342E-006 7.127924E-003 1.884411E-002 1.300731E-001 1.570091E-003 4.366996E-007 2.277850E-005 3.715822E-005 3.021741E-006 1.313172E-005 1.382779E-005 8.295682E-006 3.828930E-005 8.438243E-007 8.438243E-007 4.327304E-004 3.631884E-007 2.571304E-006 1.384269E-006 1.383927E-006 4.661783E-005 7.028429E-006 2.014818E-005 1.028630E-004 2.217261E-004 4.188467E-006 7.469258E-007 8.610277E-007 1.143793E-006 1.949198E-006 5.615980E-006 2.069644E-005 4.366166E-004 + 3.640000E+004 2.089686E-005 3.650771E-004 5.677329E-006 7.146907E-003 1.887044E-002 1.302597E-001 1.574586E-003 4.399629E-007 2.290519E-005 3.730930E-005 3.045849E-006 1.322376E-005 1.390626E-005 8.342762E-006 3.850505E-005 8.468166E-007 8.468166E-007 4.342649E-004 3.664154E-007 2.589907E-006 1.389156E-006 1.388812E-006 4.669967E-005 7.040769E-006 2.024444E-005 1.030668E-004 2.221518E-004 4.208419E-006 7.522906E-007 8.676573E-007 1.152298E-006 1.962786E-006 5.651323E-006 2.083943E-005 4.382929E-004 diff --git a/travis/tests/spec_yes_env_no_with_jfac_fixed/output/photolysisRatesParameters.output.cmp b/travis/tests/spec_yes_env_no_with_jfac_fixed/output/photolysisRatesParameters.output.cmp index 819af93f8..105db4f21 100644 --- a/travis/tests/spec_yes_env_no_with_jfac_fixed/output/photolysisRatesParameters.output.cmp +++ b/travis/tests/spec_yes_env_no_with_jfac_fixed/output/photolysisRatesParameters.output.cmp @@ -1,3 +1,3 @@ t latitude longitude secx cosx lha sinld cosld eqtime 3.600000E+004 5.300000E+001 -1.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 - 3.620000E+004 5.300000E+001 -1.000000E+000 1.245309E+000 8.030135E-001 -5.067041E-001 3.212708E-001 5.509731E-001 -1.510746E-002 + 3.620000E+004 5.300000E+001 -1.000000E+000 1.245090E+000 8.031549E-001 -5.061748E-001 3.212708E-001 5.509731E-001 -1.510746E-002 diff --git a/travis/tests/spec_yes_env_no_with_jfac_fixed/output/productionRates.output.cmp b/travis/tests/spec_yes_env_no_with_jfac_fixed/output/productionRates.output.cmp index cc1752d06..0df0fc1b9 100644 --- a/travis/tests/spec_yes_env_no_with_jfac_fixed/output/productionRates.output.cmp +++ b/travis/tests/spec_yes_env_no_with_jfac_fixed/output/productionRates.output.cmp @@ -1,25 +1,25 @@ time speciesNumber speciesName reactionNumber rate - 3.640000E+004 8 OH 15 2.740349E+006 O1D=OH+OH - 3.640000E+004 8 OH 15 2.740349E+006 O1D=OH+OH - 3.640000E+004 8 OH 20 1.277992E+003 HO2+O3=OH - 3.640000E+004 8 OH 27 8.270159E+005 HO2+NO=OH+NO2 - 3.640000E+004 8 OH 30 1.402549E+001 HO2+NO3=OH+NO2 - 3.640000E+004 8 OH 41 1.344247E-002 H2O2=OH+OH - 3.640000E+004 8 OH 41 1.344247E-002 H2O2=OH+OH - 3.640000E+004 8 OH 45 7.628288E+005 HONO=OH+NO - 3.640000E+004 8 OH 46 8.707631E+002 HNO3=OH+NO2 - 3.640000E+004 8 OH 60 8.708212E-003 CH3OOH=CH3O+OH - 3.640000E+004 8 OH 62 9.749871E-003 OH+CH3OOH=HCHO+OH - 3.640000E+004 9 HO2 16 8.433718E+004 OH+O3=HO2 - 3.640000E+004 9 HO2 17 6.733686E-003 OH+H2=HO2 - 3.640000E+004 9 HO2 18 4.916729E-001 OH+CO=HO2 - 3.640000E+004 9 HO2 19 2.310852E-003 OH+H2O2=HO2 - 3.640000E+004 9 HO2 26 1.306336E+002 OH+NO3=HO2+NO2 + 3.640000E+004 8 OH 15 2.748297E+006 O1D=OH+OH + 3.640000E+004 8 OH 15 2.748297E+006 O1D=OH+OH + 3.640000E+004 8 OH 20 1.286719E+003 HO2+O3=OH + 3.640000E+004 8 OH 27 8.282039E+005 HO2+NO=OH+NO2 + 3.640000E+004 8 OH 30 1.416259E+001 HO2+NO3=OH+NO2 + 3.640000E+004 8 OH 41 1.332573E-002 H2O2=OH+OH + 3.640000E+004 8 OH 41 1.332573E-002 H2O2=OH+OH + 3.640000E+004 8 OH 45 7.543307E+005 HONO=OH+NO + 3.640000E+004 8 OH 46 8.604640E+002 HNO3=OH+NO2 + 3.640000E+004 8 OH 60 8.636169E-003 CH3OOH=CH3O+OH + 3.640000E+004 8 OH 62 9.681068E-003 OH+CH3OOH=HCHO+OH + 3.640000E+004 9 HO2 16 8.469889E+004 OH+O3=HO2 + 3.640000E+004 9 HO2 17 6.568771E-003 OH+H2=HO2 + 3.640000E+004 9 HO2 18 4.796734E-001 OH+CO=HO2 + 3.640000E+004 9 HO2 19 2.293603E-003 OH+H2O2=HO2 + 3.640000E+004 9 HO2 26 1.315777E+002 OH+NO3=HO2+NO2 3.640000E+004 9 HO2 35 0.000000E+000 HSO3=HO2+SO3 - 3.640000E+004 9 HO2 48 1.853475E+005 HO2NO2=HO2+NO2 - 3.640000E+004 9 HO2 63 8.936211E+003 HCHO=CO+HO2+HO2 - 3.640000E+004 9 HO2 63 8.936211E+003 HCHO=CO+HO2+HO2 - 3.640000E+004 9 HO2 65 6.028805E-001 NO3+HCHO=HNO3+CO+HO2 - 3.640000E+004 9 HO2 66 2.587278E+003 OH+HCHO=HO2+CO - 3.640000E+004 9 HO2 69 6.407455E+005 CH3O=HCHO+HO2 - 3.640000E+004 9 HO2 71 9.182576E-005 CH3OH+OH=HO2+HCHO + 3.640000E+004 9 HO2 48 1.861987E+005 HO2NO2=HO2+NO2 + 3.640000E+004 9 HO2 63 8.824223E+003 HCHO=CO+HO2+HO2 + 3.640000E+004 9 HO2 63 8.824223E+003 HCHO=CO+HO2+HO2 + 3.640000E+004 9 HO2 65 5.990553E-001 NO3+HCHO=HNO3+CO+HO2 + 3.640000E+004 9 HO2 66 2.558040E+003 OH+HCHO=HO2+CO + 3.640000E+004 9 HO2 69 6.414289E+005 CH3O=HCHO+HO2 + 3.640000E+004 9 HO2 71 9.122489E-005 CH3OH+OH=HO2+HCHO diff --git a/travis/tests/spec_yes_env_no_with_jfac_fixed/output/speciesConcentrations.output.cmp b/travis/tests/spec_yes_env_no_with_jfac_fixed/output/speciesConcentrations.output.cmp index 3f9f2dd5f..53a5b17d4 100644 --- a/travis/tests/spec_yes_env_no_with_jfac_fixed/output/speciesConcentrations.output.cmp +++ b/travis/tests/spec_yes_env_no_with_jfac_fixed/output/speciesConcentrations.output.cmp @@ -1,4 +1,4 @@ t CH4 NO2 O3 3.600000E+004 4.745000E+013 2.640000E+011 1.320000E+012 - 3.620000E+004 4.751002E+013 1.932279E+011 1.189960E+012 - 3.640000E+004 4.757193E+013 1.864697E+011 1.055813E+012 + 3.620000E+004 4.751220E+013 1.932273E+011 1.185230E+012 + 3.640000E+004 4.757038E+013 1.864696E+011 1.059175E+012 diff --git a/travis/tests/spec_yes_env_no_with_jfac_fixed/spec_yes_env_no_with_jfac_fixed.out.cmp b/travis/tests/spec_yes_env_no_with_jfac_fixed/spec_yes_env_no_with_jfac_fixed.out.cmp index a5ab6ba22..9279fbe82 100644 --- a/travis/tests/spec_yes_env_no_with_jfac_fixed/spec_yes_env_no_with_jfac_fixed.out.cmp +++ b/travis/tests/spec_yes_env_no_with_jfac_fixed/spec_yes_env_no_with_jfac_fixed.out.cmp @@ -175,10 +175,10 @@ AtChem2 v1.1-dev ------------------ Final statistics ------------------ - No. steps = 226 No. f-s = 269 No. J-s = 470 No. LU-s = 50 - No. nonlinear iterations = 268 + No. steps = 244 No. f-s = 292 No. J-s = 288 No. LU-s = 54 + No. nonlinear iterations = 291 No. nonlinear convergence failures = 0 - No. error test failures = 3 + No. error test failures = 5 Runtime = 0 Deallocating memory. diff --git a/travis/tests/spec_yes_env_no_with_photo/output/environmentVariables.output.cmp b/travis/tests/spec_yes_env_no_with_photo/output/environmentVariables.output.cmp index 78cf5a913..18acf1859 100644 --- a/travis/tests/spec_yes_env_no_with_photo/output/environmentVariables.output.cmp +++ b/travis/tests/spec_yes_env_no_with_photo/output/environmentVariables.output.cmp @@ -1,3 +1,3 @@ t M TEMP PRESS RH H2O DEC BLHEIGHT DILUTE JFAC ROOFOPEN RO2 - 3.620000E+004 2.504140E+019 2.930000E+002 1.013000E+003 -1.000000E+000 2.538000E+017 4.140000E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 5.787085E+005 - 3.640000E+004 2.504140E+019 2.930000E+002 1.013000E+003 -1.000000E+000 2.538000E+017 4.140000E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 5.282556E+005 + 3.620000E+004 2.504140E+019 2.930000E+002 1.013000E+003 -1.000000E+000 2.538000E+017 4.140000E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 5.787075E+005 + 3.640000E+004 2.504140E+019 2.930000E+002 1.013000E+003 -1.000000E+000 2.538000E+017 4.140000E-001 -1.000000E+000 -1.000000E+000 1.000000E+000 1.000000E+000 5.282551E+005 diff --git a/travis/tests/spec_yes_env_no_with_photo/output/finalModelState.output.cmp b/travis/tests/spec_yes_env_no_with_photo/output/finalModelState.output.cmp index da54b2d58..e3f41bf8a 100644 --- a/travis/tests/spec_yes_env_no_with_photo/output/finalModelState.output.cmp +++ b/travis/tests/spec_yes_env_no_with_photo/output/finalModelState.output.cmp @@ -1,29 +1,29 @@ - O 25507.794319493547 - O3 1057592624096.8750 - NO 89099228645.944031 - NO2 173490803873.61826 - NO3 2260343.0481835245 - O1D 2.8131555296738796E-002 - N2O5 21449171.856037393 - OH 1341668.4028121664 - HO2 617855.68906243809 - H2 1186655.6098339306 - CO 2247727.7898579971 - H2O2 1093.4138352256800 - HONO 311598238.99378622 - HNO3 1037946229.1032580 - HO2NO2 2546098.2891458445 + O 25507.785507183158 + O3 1056792624343.9727 + NO 89099306398.209320 + NO2 173490726486.96127 + NO3 2260339.7571146684 + O1D 2.8131555296739233E-002 + N2O5 21448947.284412865 + OH 1341668.1890234554 + HO2 617854.71886598936 + H2 1186655.5488860074 + CO 2247727.9825321762 + H2O2 1093.4174291102731 + HONO 311598339.32774115 + HNO3 1037946144.4548162 + HO2NO2 2546083.5986119220 SO2 0.0000000000000000 SO3 0.0000000000000000 HSO3 0.0000000000000000 - NA 11898758.198180171 + NA 11898844.632369760 SA 0.0000000000000000 CL 0.0000000000000000 - CH4 47571111096570.672 - CH3O2 528255.60392373707 - CH3OOH 949.23052931744280 - HCHO 145074876.85166821 - CH3NO3 147443.80176217531 - CH3O 39.017078070877162 - CH3O2NO2 672025.30286151951 - CH3OH 40.890913104758205 + CH4 47571480327225.859 + CH3O2 528255.09826812765 + CH3OOH 949.23636620544380 + HCHO 145074883.81604964 + CH3NO3 147443.80891543589 + CH3O 39.017091725751676 + CH3O2NO2 672024.57268386136 + CH3OH 40.891320943224173 diff --git a/travis/tests/spec_yes_env_no_with_photo/output/instantaneousRates/36400.cmp b/travis/tests/spec_yes_env_no_with_photo/output/instantaneousRates/36400.cmp index f2237e397..a6de332a7 100644 --- a/travis/tests/spec_yes_env_no_with_photo/output/instantaneousRates/36400.cmp +++ b/travis/tests/spec_yes_env_no_with_photo/output/instantaneousRates/36400.cmp @@ -1,72 +1,72 @@ reactionNumber reactionRate -1 1.556437E+009 -2 4.473869E+008 -3 1.906313E+002 -4 5.355500E+003 -5 4.614684E+004 -6 9.524379E+003 -7 5.923747E+006 -8 1.711073E+007 -9 1.510810E+009 -10 5.600943E+006 -11 8.412395E+002 -12 5.261373E+006 -13 2.381339E+002 -14 4.890149E+005 -15 1.524753E+006 -16 9.747662E+004 -17 9.630977E-003 -18 7.058812E-001 -19 2.478883E-003 -20 1.265035E+003 -21 9.315193E+001 -22 1.068126E+000 -23 8.450084E-001 -24 1.211911E+006 -25 2.394894E+006 -26 6.036068E+001 -27 4.769481E+005 -28 8.302614E+004 -29 1.148026E+001 -30 5.550226E+000 -31 2.557111E+003 -32 2.286985E+002 +1 1.555862E+009 +2 4.472217E+008 +3 1.904168E+002 +4 5.356008E+003 +5 4.611779E+004 +6 9.518384E+003 +7 5.919664E+006 +8 1.709894E+007 +9 1.510368E+009 +10 5.595249E+006 +11 8.420209E+002 +12 5.255940E+006 +13 2.377157E+002 +14 4.881561E+005 +15 1.523703E+006 +16 9.738603E+004 +17 9.688895E-003 +18 7.101185E-001 +19 2.483732E-003 +20 1.263167E+003 +21 9.306866E+001 +22 1.066587E+000 +23 8.437902E-001 +24 1.212264E+006 +25 2.393857E+006 +26 6.025993E+001 +27 4.768255E+005 +28 8.294467E+004 +29 1.146750E+001 +30 5.537925E+000 +31 2.563278E+003 +32 2.293007E+002 33 0.000000E+000 34 0.000000E+000 35 0.000000E+000 -36 6.280777E+003 -37 8.535783E+003 +36 6.298404E+003 +37 8.521357E+003 38 0.000000E+000 -39 2.455923E+007 -40 4.290129E+008 -41 6.942416E-003 -42 1.551512E+009 -43 4.718873E+004 -44 3.257365E+005 -45 5.494588E+005 -46 5.117709E+002 -47 5.099126E+005 -48 8.497361E+004 +39 2.454231E+007 +40 4.286933E+008 +41 6.957415E-003 +42 1.551108E+009 +43 4.711853E+004 +44 3.252520E+005 +45 5.508890E+005 +46 5.132310E+002 +47 5.090508E+005 +48 8.489380E+004 49 0.000000E+000 -50 3.689545E+005 -51 1.601266E+000 -52 1.685098E-001 -53 3.697044E+002 -54 3.693347E+005 -55 5.634784E+005 -56 1.423985E+000 -57 6.971016E-002 -58 6.466679E-002 -59 6.466679E-002 -60 4.466372E-003 -61 7.789999E-003 -62 5.193332E-003 -63 3.726185E+003 -64 6.069315E+003 -65 1.812163E-001 -66 1.680627E+003 -67 1.244005E-001 -68 4.463195E-003 -69 3.693352E+005 -70 5.639629E+005 -71 4.842539E-005 +50 3.688936E+005 +51 1.599120E+000 +52 1.682840E-001 +53 3.696469E+002 +54 3.692773E+005 +55 5.629828E+005 +56 1.420974E+000 +57 6.962383E-002 +58 6.458670E-002 +59 6.458670E-002 +60 4.475638E-003 +61 7.804578E-003 +62 5.203052E-003 +63 3.737523E+003 +64 6.087726E+003 +65 1.814895E-001 +66 1.685391E+003 +67 1.247863E-001 +68 4.476061E-003 +69 3.692650E+005 +70 5.634600E+005 +71 4.851104E-005 diff --git a/travis/tests/spec_yes_env_no_with_photo/output/mainSolverParameters.output.cmp b/travis/tests/spec_yes_env_no_with_photo/output/mainSolverParameters.output.cmp index 64a0b7794..13a6af153 100644 --- a/travis/tests/spec_yes_env_no_with_photo/output/mainSolverParameters.output.cmp +++ b/travis/tests/spec_yes_env_no_with_photo/output/mainSolverParameters.output.cmp @@ -1,3 +1,3 @@ t currentStepSize previousStepSize LENRW LENIW NST NFE NETF NCFN NNI NSETUPS QU QCUR NOR LENRWLS LENIWLS LS_FLAG NFELS NJTV NPE NPS NLI NCFL - 3.62E+04 1.02423430E+001 1.02423430E+001 359 50 211 249 1 0 248 48 5 5 0 13236 105 0 449 449 4 671 449 0 - 3.64E+04 1.73271092E+001 1.73271092E+001 359 50 224 263 1 0 262 49 5 5 0 13236 105 0 484 484 5 720 484 0 + 3.62E+04 9.46522559E+000 9.46522559E+000 359 50 239 276 2 0 275 48 5 5 0 13294 117 0 275 275 5 523 275 0 + 3.64E+04 9.46522559E+000 9.46522559E+000 359 50 260 298 2 0 297 49 5 5 0 13294 117 0 304 304 5 574 304 0 diff --git a/travis/tests/spec_yes_env_no_with_photo/output/photolysisRates.output.cmp b/travis/tests/spec_yes_env_no_with_photo/output/photolysisRates.output.cmp index 9b27b10c4..76fd3c27e 100644 --- a/travis/tests/spec_yes_env_no_with_photo/output/photolysisRates.output.cmp +++ b/travis/tests/spec_yes_env_no_with_photo/output/photolysisRates.output.cmp @@ -1,3 +1,3 @@ t J1 J2 J3 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 J4 - 3.620000E+004 2.296923E-005 4.048950E-004 6.276958E-006 2.093782E-002 1.445250E-001 1.744531E-003 4.852114E-007 2.530904E-005 4.128643E-005 3.357413E-006 1.459051E-005 1.536396E-005 9.217275E-006 4.254298E-005 9.375730E-007 9.375730E-007 4.808067E-004 4.035324E-007 2.856945E-006 1.538061E-006 1.537681E-006 5.179732E-005 7.809326E-006 2.238656E-005 1.142916E-004 2.463610E-004 4.653788E-006 8.299005E-007 9.566763E-007 1.270855E-006 2.165732E-006 6.239866E-006 2.299559E-005 4.851242E-004 8.950000E-003 - 3.640000E+004 2.322183E-005 4.056504E-004 6.308528E-006 2.096752E-002 1.447355E-001 1.749601E-003 4.888926E-007 2.545195E-005 4.145685E-005 3.384609E-006 1.469433E-005 1.545248E-005 9.270383E-006 4.278636E-005 9.409485E-007 9.409485E-007 4.825377E-004 4.071727E-007 2.877931E-006 1.543574E-006 1.543192E-006 5.188965E-005 7.823246E-006 2.249514E-005 1.145215E-004 2.468411E-004 4.676295E-006 8.359523E-007 9.641550E-007 1.280449E-006 2.181060E-006 6.279734E-006 2.315689E-005 4.870152E-004 8.950000E-003 + 3.620000E+004 2.296841E-005 4.048926E-004 6.276856E-006 2.093773E-002 1.445243E-001 1.744514E-003 4.851996E-007 2.530858E-005 4.128588E-005 3.357325E-006 1.459018E-005 1.536367E-005 9.217104E-006 4.254220E-005 9.375621E-007 9.375621E-007 4.808011E-004 4.035207E-007 2.856878E-006 1.538044E-006 1.537663E-006 5.179702E-005 7.809281E-006 2.238621E-005 1.142908E-004 2.463595E-004 4.653716E-006 8.298811E-007 9.566523E-007 1.270824E-006 2.165683E-006 6.239737E-006 2.299507E-005 4.851181E-004 8.950000E-003 + 3.640000E+004 2.322339E-005 4.056551E-004 6.308722E-006 2.096770E-002 1.447368E-001 1.749632E-003 4.889153E-007 2.545283E-005 4.145790E-005 3.384777E-006 1.469498E-005 1.545303E-005 9.270711E-006 4.278786E-005 9.409693E-007 9.409693E-007 4.825483E-004 4.071952E-007 2.878061E-006 1.543608E-006 1.543226E-006 5.189022E-005 7.823332E-006 2.249581E-005 1.145229E-004 2.468441E-004 4.676434E-006 8.359897E-007 9.642012E-007 1.280508E-006 2.181155E-006 6.279980E-006 2.315788E-005 4.870268E-004 8.950000E-003 diff --git a/travis/tests/spec_yes_env_no_with_photo/output/photolysisRatesParameters.output.cmp b/travis/tests/spec_yes_env_no_with_photo/output/photolysisRatesParameters.output.cmp index f343f649d..74efaaf0a 100644 --- a/travis/tests/spec_yes_env_no_with_photo/output/photolysisRatesParameters.output.cmp +++ b/travis/tests/spec_yes_env_no_with_photo/output/photolysisRatesParameters.output.cmp @@ -1,3 +1,3 @@ t latitude longitude secx cosx lha sinld cosld eqtime 3.600000E+004 5.300000E+001 -1.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 - 3.620000E+004 5.300000E+001 -1.000000E+000 1.245106E+000 8.031442E-001 -5.062147E-001 3.212708E-001 5.509731E-001 -1.510746E-002 + 3.620000E+004 5.300000E+001 -1.000000E+000 1.245125E+000 8.031321E-001 -5.062602E-001 3.212708E-001 5.509731E-001 -1.510746E-002 diff --git a/travis/tests/spec_yes_env_no_with_photo/output/speciesConcentrations.output.cmp b/travis/tests/spec_yes_env_no_with_photo/output/speciesConcentrations.output.cmp index e77b7f295..6dd6d9b87 100644 --- a/travis/tests/spec_yes_env_no_with_photo/output/speciesConcentrations.output.cmp +++ b/travis/tests/spec_yes_env_no_with_photo/output/speciesConcentrations.output.cmp @@ -1,4 +1,4 @@ t CH4 NO2 O3 3.600000E+004 4.745000E+013 2.640000E+011 1.320000E+012 - 3.620000E+004 4.751204E+013 1.806473E+011 1.185586E+012 - 3.640000E+004 4.757111E+013 1.734908E+011 1.057593E+012 + 3.620000E+004 4.751185E+013 1.806471E+011 1.185993E+012 + 3.640000E+004 4.757148E+013 1.734907E+011 1.056793E+012 diff --git a/travis/tests/spec_yes_env_no_with_photo/spec_yes_env_no_with_photo.out.cmp b/travis/tests/spec_yes_env_no_with_photo/spec_yes_env_no_with_photo.out.cmp index b8811c413..13b7f6473 100644 --- a/travis/tests/spec_yes_env_no_with_photo/spec_yes_env_no_with_photo.out.cmp +++ b/travis/tests/spec_yes_env_no_with_photo/spec_yes_env_no_with_photo.out.cmp @@ -183,10 +183,10 @@ AtChem2 v1.1-dev ------------------ Final statistics ------------------ - No. steps = 224 No. f-s = 263 No. J-s = 484 No. LU-s = 49 - No. nonlinear iterations = 262 + No. steps = 260 No. f-s = 298 No. J-s = 304 No. LU-s = 49 + No. nonlinear iterations = 297 No. nonlinear convergence failures = 0 - No. error test failures = 1 + No. error test failures = 2 Runtime = 0 Deallocating memory. diff --git a/travis/tests/spec_yes_env_yes/output/environmentVariables.output.cmp b/travis/tests/spec_yes_env_yes/output/environmentVariables.output.cmp index 66895d156..a73263508 100644 --- a/travis/tests/spec_yes_env_yes/output/environmentVariables.output.cmp +++ b/travis/tests/spec_yes_env_yes/output/environmentVariables.output.cmp @@ -1,2 +1,2 @@ t M TEMP PRESS RH H2O DEC BLHEIGHT DILUTE JFAC ROOFOPEN RO2 - 1.500000E+003 2.504140E+019 2.930000E+002 1.013000E+003 -1.000000E+000 2.538000E+017 4.140000E-001 6.350550E+002 -1.000000E+000 1.000000E+000 1.000000E+000 0.000000E+000 + 1.500000E+003 2.504140E+019 2.930000E+002 1.013000E+003 -1.000000E+000 2.538000E+017 4.140000E-001 6.350024E+002 -1.000000E+000 1.000000E+000 1.000000E+000 0.000000E+000 diff --git a/travis/tests/spec_yes_env_yes/output/finalModelState.output.cmp b/travis/tests/spec_yes_env_yes/output/finalModelState.output.cmp index 3eb4dfbac..d139a852e 100644 --- a/travis/tests/spec_yes_env_yes/output/finalModelState.output.cmp +++ b/travis/tests/spec_yes_env_yes/output/finalModelState.output.cmp @@ -1,10 +1,10 @@ O 0.0000000000000000 - O3 762019746592.40137 - NO 26416457.462091047 - NO2 6058264030203.2773 - NO3 136606389.89709327 + O3 762000865133.46521 + NO 26416469.664279781 + NO2 6057799081364.6084 + NO3 136605642.97086513 O1D 0.0000000000000000 - N2O5 37544679243.108688 + N2O5 37544675844.514870 OH 0.0000000000000000 HO2 0.0000000000000000 H2 0.0000000000000000 @@ -16,7 +16,7 @@ SO2 0.0000000000000000 SO3 0.0000000000000000 HSO3 0.0000000000000000 - NA 4500117872.3691797 + NA 4500117870.0983124 SA 0.0000000000000000 CL 0.0000000000000000 CH4 47500000000000.000 diff --git a/travis/tests/spec_yes_env_yes/output/mainSolverParameters.output.cmp b/travis/tests/spec_yes_env_yes/output/mainSolverParameters.output.cmp index 4886d46ae..5903998d9 100644 --- a/travis/tests/spec_yes_env_yes/output/mainSolverParameters.output.cmp +++ b/travis/tests/spec_yes_env_yes/output/mainSolverParameters.output.cmp @@ -1,2 +1,2 @@ t currentStepSize previousStepSize LENRW LENIW NST NFE NETF NCFN NNI NSETUPS QU QCUR NOR LENRWLS LENIWLS LS_FLAG NFELS NJTV NPE NPS NLI NCFL - 1.50E+03 1.36103062E+000 1.36103062E+000 359 50 174 212 6 0 211 42 5 5 0 13236 105 0 237 237 4 419 237 0 + 1.50E+03 2.67891902E-001 1.77533411E-001 359 50 168 215 7 0 214 43 5 5 0 13294 117 0 178 178 4 348 178 0 diff --git a/travis/tests/spec_yes_env_yes/output/speciesConcentrations.output.cmp b/travis/tests/spec_yes_env_yes/output/speciesConcentrations.output.cmp index 224acb9a2..ce7674f76 100644 --- a/travis/tests/spec_yes_env_yes/output/speciesConcentrations.output.cmp +++ b/travis/tests/spec_yes_env_yes/output/speciesConcentrations.output.cmp @@ -1,3 +1,3 @@ t CH4 NO2 O3 1.200000E+003 4.750000E+013 4.964444E+012 8.250000E+011 - 1.500000E+003 4.750000E+013 6.058264E+012 7.620197E+011 + 1.500000E+003 4.750000E+013 6.057799E+012 7.620009E+011 diff --git a/travis/tests/spec_yes_env_yes/spec_yes_env_yes.out.cmp b/travis/tests/spec_yes_env_yes/spec_yes_env_yes.out.cmp index 64d72dc3a..b0e79783b 100644 --- a/travis/tests/spec_yes_env_yes/spec_yes_env_yes.out.cmp +++ b/travis/tests/spec_yes_env_yes/spec_yes_env_yes.out.cmp @@ -175,10 +175,10 @@ AtChem2 v1.1-dev ------------------ Final statistics ------------------ - No. steps = 174 No. f-s = 212 No. J-s = 237 No. LU-s = 42 - No. nonlinear iterations = 211 + No. steps = 168 No. f-s = 215 No. J-s = 178 No. LU-s = 43 + No. nonlinear iterations = 214 No. nonlinear convergence failures = 0 - No. error test failures = 6 + No. error test failures = 7 Runtime = 0 Deallocating memory. diff --git a/travis/tests/spec_yes_plus_fixed_env_no/output/finalModelState.output.cmp b/travis/tests/spec_yes_plus_fixed_env_no/output/finalModelState.output.cmp index c3120b82b..094d6a540 100644 --- a/travis/tests/spec_yes_plus_fixed_env_no/output/finalModelState.output.cmp +++ b/travis/tests/spec_yes_plus_fixed_env_no/output/finalModelState.output.cmp @@ -1,10 +1,10 @@ O 0.0000000000000000 - O3 886799033030.78259 - NO 2616627.5720956842 - NO2 249561904489.39862 - NO3 462666739.45881897 + O3 882964026500.29639 + NO 2616634.8964606719 + NO2 249561902619.65024 + NO3 462666802.42985320 O1D 0.0000000000000000 - N2O5 5789846023.5743189 + N2O5 5789846781.6063318 OH 0.0000000000000000 HO2 0.0000000000000000 H2 0.0000000000000000 @@ -16,10 +16,10 @@ SO2 51200000000.000000 SO3 0.0000000000000000 HSO3 0.0000000000000000 - NA 257813120096.39594 + NA 257813120191.77777 SA 0.0000000000000000 CL 0.0000000000000000 - CH4 47853596016334.102 + CH4 47862584312889.930 CH3O2 0.0000000000000000 CH3OOH 0.0000000000000000 HCHO 0.0000000000000000 diff --git a/travis/tests/spec_yes_plus_fixed_env_no/output/instantaneousRates/300.cmp b/travis/tests/spec_yes_plus_fixed_env_no/output/instantaneousRates/300.cmp index a4a280fc4..a1248ebbe 100644 --- a/travis/tests/spec_yes_plus_fixed_env_no/output/instantaneousRates/300.cmp +++ b/travis/tests/spec_yes_plus_fixed_env_no/output/instantaneousRates/300.cmp @@ -7,12 +7,12 @@ 6 0.000000E+000 7 0.000000E+000 8 0.000000E+000 -9 2.350565E+004 -10 8.824805E+006 -11 1.819836E-007 -12 7.520134E+003 -13 3.446905E+004 -14 7.078318E+007 +9 2.347819E+004 +10 8.828050E+006 +11 1.814388E-007 +12 7.498466E+003 +13 3.442259E+004 +14 7.068777E+007 15 0.000000E+000 16 0.000000E+000 17 0.000000E+000 @@ -35,7 +35,7 @@ 34 0.000000E+000 35 0.000000E+000 36 2.838000E+008 -37 1.046735E+006 +37 1.045097E+006 38 0.000000E+000 39 0.000000E+000 40 0.000000E+000 @@ -45,7 +45,7 @@ 44 0.000000E+000 45 0.000000E+000 46 0.000000E+000 -47 6.253011E+007 +47 6.243223E+007 48 0.000000E+000 49 0.000000E+000 50 0.000000E+000 diff --git a/travis/tests/spec_yes_plus_fixed_env_no/output/instantaneousRates/600.cmp b/travis/tests/spec_yes_plus_fixed_env_no/output/instantaneousRates/600.cmp index 3a2f820af..39352cd2f 100644 --- a/travis/tests/spec_yes_plus_fixed_env_no/output/instantaneousRates/600.cmp +++ b/travis/tests/spec_yes_plus_fixed_env_no/output/instantaneousRates/600.cmp @@ -7,12 +7,12 @@ 6 0.000000E+000 7 0.000000E+000 8 0.000000E+000 -9 3.315744E+004 -10 7.490327E+006 -11 4.846929E-007 -12 1.998797E+004 -13 5.512637E+004 -14 1.132036E+008 +9 3.309515E+004 +10 7.497154E+006 +11 4.821500E-007 +12 1.987094E+004 +13 5.495680E+004 +14 1.128554E+008 15 0.000000E+000 16 0.000000E+000 17 0.000000E+000 @@ -35,7 +35,7 @@ 34 0.000000E+000 35 0.000000E+000 36 2.838000E+008 -37 1.777671E+006 +37 1.771737E+006 38 0.000000E+000 39 0.000000E+000 40 0.000000E+000 @@ -45,7 +45,7 @@ 44 0.000000E+000 45 0.000000E+000 46 0.000000E+000 -47 1.061949E+008 +47 1.058404E+008 48 0.000000E+000 49 0.000000E+000 50 0.000000E+000 diff --git a/travis/tests/spec_yes_plus_fixed_env_no/output/instantaneousRates/900.cmp b/travis/tests/spec_yes_plus_fixed_env_no/output/instantaneousRates/900.cmp index cd82f2b31..92f75ca6c 100644 --- a/travis/tests/spec_yes_plus_fixed_env_no/output/instantaneousRates/900.cmp +++ b/travis/tests/spec_yes_plus_fixed_env_no/output/instantaneousRates/900.cmp @@ -7,12 +7,12 @@ 6 0.000000E+000 7 0.000000E+000 8 0.000000E+000 -9 3.758391E+004 -10 6.753053E+006 -11 7.404405E-007 -12 3.259954E+004 -13 7.151228E+004 -14 1.468525E+008 +9 3.770063E+004 +10 6.718619E+006 +11 7.515329E-007 +12 3.317751E+004 +13 7.218484E+004 +14 1.482336E+008 15 0.000000E+000 16 0.000000E+000 17 0.000000E+000 @@ -35,7 +35,7 @@ 34 0.000000E+000 35 0.000000E+000 36 2.838000E+008 -37 2.352350E+006 +37 2.376003E+006 38 0.000000E+000 39 0.000000E+000 40 0.000000E+000 @@ -45,7 +45,7 @@ 44 0.000000E+000 45 0.000000E+000 46 0.000000E+000 -47 1.405252E+008 +47 1.419382E+008 48 0.000000E+000 49 0.000000E+000 50 0.000000E+000 diff --git a/travis/tests/spec_yes_plus_fixed_env_no/output/mainSolverParameters.output.cmp b/travis/tests/spec_yes_plus_fixed_env_no/output/mainSolverParameters.output.cmp index 8c5d43bc5..52fdd6621 100644 --- a/travis/tests/spec_yes_plus_fixed_env_no/output/mainSolverParameters.output.cmp +++ b/travis/tests/spec_yes_plus_fixed_env_no/output/mainSolverParameters.output.cmp @@ -1,4 +1,4 @@ t currentStepSize previousStepSize LENRW LENIW NST NFE NETF NCFN NNI NSETUPS QU QCUR NOR LENRWLS LENIWLS LS_FLAG NFELS NJTV NPE NPS NLI NCFL - 3.00E+02 2.43656392E+001 2.43656392E+001 339 50 110 130 3 0 129 32 5 5 0 13026 105 0 178 178 2 289 178 0 - 6.00E+02 1.05927338E+001 1.05927338E+001 339 50 140 170 6 0 169 39 3 3 0 13026 105 0 234 234 3 381 234 0 - 9.00E+02 6.56685270E+001 6.56685270E+001 339 50 153 185 6 0 184 43 4 4 0 13026 105 0 249 249 3 409 249 0 + 3.00E+02 2.70528931E+001 2.70528931E+001 339 50 111 135 4 0 134 33 5 5 0 13080 117 0 110 110 2 218 110 0 + 6.00E+02 1.40593515E+001 8.49154800E+000 339 50 134 167 7 0 166 39 3 4 0 13080 117 0 141 141 3 277 141 0 + 9.00E+02 5.10847354E+001 5.10847354E+001 339 50 147 185 8 0 184 44 5 5 0 13080 117 0 155 155 3 305 155 0 diff --git a/travis/tests/spec_yes_plus_fixed_env_no/output/photolysisRatesParameters.output.cmp b/travis/tests/spec_yes_plus_fixed_env_no/output/photolysisRatesParameters.output.cmp index bee7d6f0b..c1e9d9eba 100644 --- a/travis/tests/spec_yes_plus_fixed_env_no/output/photolysisRatesParameters.output.cmp +++ b/travis/tests/spec_yes_plus_fixed_env_no/output/photolysisRatesParameters.output.cmp @@ -1,4 +1,4 @@ t latitude longitude secx cosx lha sinld cosld eqtime 0.000000E+000 5.300000E+001 -1.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 0.000000E+000 - 3.000000E+002 5.300000E+001 -1.000000E+000 1.000000E+050 0.000000E+000 -3.116729E+000 3.212708E-001 5.509731E-001 -1.510746E-002 - 6.000000E+002 5.300000E+001 -1.000000E+000 1.000000E+050 0.000000E+000 -3.094925E+000 3.212708E-001 5.509731E-001 -1.510746E-002 + 3.000000E+002 5.300000E+001 -1.000000E+000 1.000000E+050 0.000000E+000 -3.116770E+000 3.212708E-001 5.509731E-001 -1.510746E-002 + 6.000000E+002 5.300000E+001 -1.000000E+000 1.000000E+050 0.000000E+000 -3.095131E+000 3.212708E-001 5.509731E-001 -1.510746E-002 diff --git a/travis/tests/spec_yes_plus_fixed_env_no/output/speciesConcentrations.output.cmp b/travis/tests/spec_yes_plus_fixed_env_no/output/speciesConcentrations.output.cmp index c681f9030..23d3463c7 100644 --- a/travis/tests/spec_yes_plus_fixed_env_no/output/speciesConcentrations.output.cmp +++ b/travis/tests/spec_yes_plus_fixed_env_no/output/speciesConcentrations.output.cmp @@ -1,5 +1,5 @@ t CH4 NO2 O3 0.000000E+000 4.745000E+013 2.640000E+011 1.320000E+012 - 3.000000E+002 4.754289E+013 2.583730E+011 1.118728E+012 - 6.000000E+002 4.766568E+013 2.536929E+011 9.669767E+011 - 9.000000E+002 4.785360E+013 2.495619E+011 8.867990E+011 + 3.000000E+002 4.754272E+013 2.583730E+011 1.119098E+012 + 6.000000E+002 4.766398E+013 2.536929E+011 9.677019E+011 + 9.000000E+002 4.786258E+013 2.495619E+011 8.829640E+011 diff --git a/travis/tests/spec_yes_plus_fixed_env_no/spec_yes_plus_fixed_env_no.out.cmp b/travis/tests/spec_yes_plus_fixed_env_no/spec_yes_plus_fixed_env_no.out.cmp index 2b8a6926c..4e3a62d37 100644 --- a/travis/tests/spec_yes_plus_fixed_env_no/spec_yes_plus_fixed_env_no.out.cmp +++ b/travis/tests/spec_yes_plus_fixed_env_no/spec_yes_plus_fixed_env_no.out.cmp @@ -176,10 +176,10 @@ AtChem2 v1.1-dev ------------------ Final statistics ------------------ - No. steps = 153 No. f-s = 185 No. J-s = 249 No. LU-s = 43 + No. steps = 147 No. f-s = 185 No. J-s = 155 No. LU-s = 44 No. nonlinear iterations = 184 No. nonlinear convergence failures = 0 - No. error test failures = 6 + No. error test failures = 8 Runtime = 0 Deallocating memory.