diff --git a/modelConfiguration/concentrationOutput.config b/modelConfiguration/concentrationOutput.config index ab5902e8f..2809729ea 100644 --- a/modelConfiguration/concentrationOutput.config +++ b/modelConfiguration/concentrationOutput.config @@ -1,8 +1,2 @@ -CH3OH -C2H5OH -BUT2OL -O3 NO NO2 -OH -HO2 diff --git a/modelConfiguration/environmentVariables.config b/modelConfiguration/environmentVariables.config index 4ddab1d30..605f39afc 100644 --- a/modelConfiguration/environmentVariables.config +++ b/modelConfiguration/environmentVariables.config @@ -1,5 +1,5 @@ -1 TEMP 298.15 -2 PRESS 1013.25 +1 TEMP CONSTRAINED +2 PRESS CONSTRAINED 3 RH NOTUSED 5 H2O 3.91e+17 5 DEC 0.41 diff --git a/modelConfiguration/initialConcentrations.config b/modelConfiguration/initialConcentrations.config index 51100eb5e..5681ddf15 100644 --- a/modelConfiguration/initialConcentrations.config +++ b/modelConfiguration/initialConcentrations.config @@ -1,4 +1 @@ -CH3OH 8.44e+09 -C2H5OH 4.22e+09 -BUT2OL 2.11e+09 -O3 1.2e+12 +NO 5.0e12 diff --git a/modelConfiguration/lossRatesOutput.config b/modelConfiguration/lossRatesOutput.config index 78da78737..e69de29bb 100644 --- a/modelConfiguration/lossRatesOutput.config +++ b/modelConfiguration/lossRatesOutput.config @@ -1,2 +0,0 @@ -OH -HO2 diff --git a/modelConfiguration/model.parameters b/modelConfiguration/model.parameters index d623423d8..a4019899d 100644 --- a/modelConfiguration/model.parameters +++ b/modelConfiguration/model.parameters @@ -1,9 +1,9 @@ -48 number of steps +16 number of steps 900 step size (seconds) 2 species interpolation method (pw constant = 1, pw linear = 2) 2 conditions interpolation method (pw constant = 1, pw linear = 2) -3600 rates output step size (seconds) -0 model start time (seconds) +1800 rates output step size (seconds) +36000 model start time (seconds) 0 jacobian output step size (seconds) 51.51 latitude (degrees) 0.13 longitude (degrees) diff --git a/modelConfiguration/productionRatesOutput.config b/modelConfiguration/productionRatesOutput.config index 98e708c96..e69de29bb 100644 --- a/modelConfiguration/productionRatesOutput.config +++ b/modelConfiguration/productionRatesOutput.config @@ -1,2 +0,0 @@ -OH -HO2 diff --git a/travis/new_tests/test1/instantaneousRates/37800 b/travis/new_tests/test1/instantaneousRates/37800 new file mode 100644 index 000000000..55d6a1ea2 --- /dev/null +++ b/travis/new_tests/test1/instantaneousRates/37800 @@ -0,0 +1 @@ + 89001.146993941191 diff --git a/travis/new_tests/test1/instantaneousRates/39600 b/travis/new_tests/test1/instantaneousRates/39600 new file mode 100644 index 000000000..e58a6bab2 --- /dev/null +++ b/travis/new_tests/test1/instantaneousRates/39600 @@ -0,0 +1 @@ + 88044.969736776562 diff --git a/travis/new_tests/test1/instantaneousRates/41400 b/travis/new_tests/test1/instantaneousRates/41400 new file mode 100644 index 000000000..037d7f922 --- /dev/null +++ b/travis/new_tests/test1/instantaneousRates/41400 @@ -0,0 +1 @@ + 87099.063728918802 diff --git a/travis/new_tests/test1/instantaneousRates/43200 b/travis/new_tests/test1/instantaneousRates/43200 new file mode 100644 index 000000000..5dda92218 --- /dev/null +++ b/travis/new_tests/test1/instantaneousRates/43200 @@ -0,0 +1 @@ + 86163.853373844715 diff --git a/travis/new_tests/test1/instantaneousRates/45000 b/travis/new_tests/test1/instantaneousRates/45000 new file mode 100644 index 000000000..a146388c4 --- /dev/null +++ b/travis/new_tests/test1/instantaneousRates/45000 @@ -0,0 +1 @@ + 85238.290681083454 diff --git a/travis/new_tests/test1/instantaneousRates/46800 b/travis/new_tests/test1/instantaneousRates/46800 new file mode 100644 index 000000000..eeb905297 --- /dev/null +++ b/travis/new_tests/test1/instantaneousRates/46800 @@ -0,0 +1 @@ + 84322.670281577230 diff --git a/travis/new_tests/test1/instantaneousRates/48600 b/travis/new_tests/test1/instantaneousRates/48600 new file mode 100644 index 000000000..cc5d714a4 --- /dev/null +++ b/travis/new_tests/test1/instantaneousRates/48600 @@ -0,0 +1 @@ + 83416.885376298946 diff --git a/travis/new_tests/test1/instantaneousRates/50400 b/travis/new_tests/test1/instantaneousRates/50400 new file mode 100644 index 000000000..502313688 --- /dev/null +++ b/travis/new_tests/test1/instantaneousRates/50400 @@ -0,0 +1 @@ + 82520.830313444909 diff --git a/travis/new_tests/test1/mechanism.fac b/travis/new_tests/test1/mechanism.fac new file mode 100644 index 000000000..5d7972094 --- /dev/null +++ b/travis/new_tests/test1/mechanism.fac @@ -0,0 +1,12 @@ +* Generic Rate Coefficients ; + +* Complex reactions ; + +* Peroxy radicals. ; + +RO2 = ; + +* Reaction definitions. ; +*; +* unimolecular reaction ; +% 6.00D-06 : HNO3 = NA ; diff --git a/travis/new_tests/test1/modelConfiguration/concentrationOutput.config b/travis/new_tests/test1/modelConfiguration/concentrationOutput.config new file mode 100644 index 000000000..c611d4019 --- /dev/null +++ b/travis/new_tests/test1/modelConfiguration/concentrationOutput.config @@ -0,0 +1,2 @@ +HNO3 +NA diff --git a/travis/new_tests/test1/modelConfiguration/constrainedFixedSpecies.config b/travis/new_tests/test1/modelConfiguration/constrainedFixedSpecies.config new file mode 100644 index 000000000..e69de29bb diff --git a/travis/new_tests/test1/modelConfiguration/constrainedPhotoRates.config b/travis/new_tests/test1/modelConfiguration/constrainedPhotoRates.config new file mode 100644 index 000000000..e69de29bb diff --git a/travis/new_tests/test1/modelConfiguration/constrainedSpecies.config b/travis/new_tests/test1/modelConfiguration/constrainedSpecies.config new file mode 100644 index 000000000..e69de29bb diff --git a/travis/new_tests/test1/modelConfiguration/environmentVariables.config b/travis/new_tests/test1/modelConfiguration/environmentVariables.config new file mode 100644 index 000000000..4ddab1d30 --- /dev/null +++ b/travis/new_tests/test1/modelConfiguration/environmentVariables.config @@ -0,0 +1,9 @@ +1 TEMP 298.15 +2 PRESS 1013.25 +3 RH NOTUSED +5 H2O 3.91e+17 +5 DEC 0.41 +6 BLHEIGHT NOTUSED +7 DILUTE NOTUSED +8 JFAC NOTUSED +9 ROOFOPEN ON diff --git a/travis/new_tests/test1/modelConfiguration/initialConcentrations.config b/travis/new_tests/test1/modelConfiguration/initialConcentrations.config new file mode 100644 index 000000000..ef22ce2f8 --- /dev/null +++ b/travis/new_tests/test1/modelConfiguration/initialConcentrations.config @@ -0,0 +1 @@ +HNO3 1.5e10 diff --git a/travis/new_tests/test1/modelConfiguration/lossRatesOutput.config b/travis/new_tests/test1/modelConfiguration/lossRatesOutput.config new file mode 100644 index 000000000..e69de29bb diff --git a/travis/new_tests/test1/modelConfiguration/model.parameters b/travis/new_tests/test1/modelConfiguration/model.parameters new file mode 100644 index 000000000..a4019899d --- /dev/null +++ b/travis/new_tests/test1/modelConfiguration/model.parameters @@ -0,0 +1,13 @@ +16 number of steps +900 step size (seconds) +2 species interpolation method (pw constant = 1, pw linear = 2) +2 conditions interpolation method (pw constant = 1, pw linear = 2) +1800 rates output step size (seconds) +36000 model start time (seconds) +0 jacobian output step size (seconds) +51.51 latitude (degrees) +0.13 longitude (degrees) +21 day +06 month +2010 year +1800 instantaneous rates output step size (seconds) diff --git a/travis/new_tests/test1/modelConfiguration/photolysisRates.config b/travis/new_tests/test1/modelConfiguration/photolysisRates.config new file mode 100644 index 000000000..ab1051fa2 --- /dev/null +++ b/travis/new_tests/test1/modelConfiguration/photolysisRates.config @@ -0,0 +1,36 @@ + J L M N name transmissionFactor + 1 6.073D-05 1.743 0.474 J1 1 + 2 4.775D-04 0.298 0.080 J2 1 + 3 1.041D-05 0.723 0.279 J3 1 + 4 1.165D-02 0.244 0.267 J4 1 + 5 2.485D-02 0.168 0.108 J5 1 + 6 1.747D-01 0.155 0.125 J6 1 + 7 2.644D-03 0.261 0.288 J7 1 + 8 9.312D-07 1.230 0.307 J8 1 + 11 4.642D-05 0.762 0.353 J11 1 + 12 6.853D-05 0.477 0.323 J12 1 + 13 7.344D-06 1.202 0.417 J13 1 + 14 2.879D-05 1.067 0.358 J14 1 + 15 2.792D-05 0.805 0.338 J15 1 + 16 1.675D-05 0.805 0.338 J16 1 + 17 7.914D-05 0.764 0.364 J17 1 + 18 1.140D-05 0.396 0.298 J18 1 + 19 1.140D-05 0.396 0.298 J19 1 + 21 7.992D-07 1.578 0.271 J21 1 + 22 5.804D-06 1.092 0.377 J22 1 + 23 1.836D-05 0.395 0.296 J23 1 + 24 1.836D-05 0.395 0.296 J24 1 + 31 6.845D-05 0.130 0.201 J31 1 + 32 1.032D-05 0.130 0.201 J32 1 + 33 3.802D-05 0.644 0.312 J33 1 + 34 1.537D-04 0.170 0.208 J34 1 + 35 3.326D-04 0.148 0.215 J35 1 + 41 7.649D-06 0.682 0.279 J41 1 + 51 1.588D-06 1.154 0.318 J51 1 + 52 1.907D-06 1.244 0.335 J52 1 + 53 2.485D-06 1.196 0.328 J53 1 + 54 4.095D-06 1.111 0.316 J54 1 + 55 1.135D-05 0.974 0.309 J55 1 + 56 7.549D-06 1.015 0.324 J56 1 + 57 3.363D-06 1.296 0.322 J57 1 + 61 7.537D-04 0.499 0.266 J61 1 diff --git a/travis/new_tests/test1/modelConfiguration/productionRatesOutput.config b/travis/new_tests/test1/modelConfiguration/productionRatesOutput.config new file mode 100644 index 000000000..e69de29bb diff --git a/travis/new_tests/test1/modelConfiguration/solver.parameters b/travis/new_tests/test1/modelConfiguration/solver.parameters new file mode 100644 index 000000000..e1ce01a54 --- /dev/null +++ b/travis/new_tests/test1/modelConfiguration/solver.parameters @@ -0,0 +1,9 @@ +1.0e-03 atol +1.0e-04 rtol +1.0e-04 delta main +100 lookback +100 maximum solver step size (seconds) +100000 maximum number of steps in solver +2 solver type (1 = spgmr, 2 = spgmr + banded preconditioner, 3 = dense) +750 banded preconditioner upper bandwidth +750 banded preconditioner lower bandwidth diff --git a/travis/new_tests/test1/modelOutput/concentration.output b/travis/new_tests/test1/modelOutput/concentration.output new file mode 100644 index 000000000..c4ccb29a5 --- /dev/null +++ b/travis/new_tests/test1/modelOutput/concentration.output @@ -0,0 +1,18 @@ + t HNO3 NA + 3.6000000E+04 1.5000000E+10 0.0000000E+00 + 3.6900000E+04 1.4919218E+10 8.0781699E+07 + 3.7800000E+04 1.4838872E+10 1.6112836E+08 + 3.8700000E+04 1.4758958E+10 2.4104231E+08 + 3.9600000E+04 1.4679474E+10 3.2052589E+08 + 4.0500000E+04 1.4600419E+10 3.9958142E+08 + 4.1400000E+04 1.4521789E+10 4.7821120E+08 + 4.2300000E+04 1.4443582E+10 5.5641752E+08 + 4.3200000E+04 1.4365797E+10 6.3420267E+08 + 4.4100000E+04 1.4288431E+10 7.1156890E+08 + 4.5000000E+04 1.4211482E+10 7.8851849E+08 + 4.5900000E+04 1.4134946E+10 8.6505367E+08 + 4.6800000E+04 1.4058823E+10 9.4117667E+08 + 4.7700000E+04 1.3983110E+10 1.0168897E+09 + 4.8600000E+04 1.3907805E+10 1.0921950E+09 + 4.9500000E+04 1.3832905E+10 1.1670948E+09 + 5.0400000E+04 1.3758409E+10 1.2415911E+09 diff --git a/travis/new_tests/test1/modelOutput/envVar.output b/travis/new_tests/test1/modelOutput/envVar.output new file mode 100644 index 000000000..723ee8f34 --- /dev/null +++ b/travis/new_tests/test1/modelOutput/envVar.output @@ -0,0 +1,17 @@ + t M TEMP PRESS RH H2O DEC BLHEIGHT DILUTE JFAC ROOFOPEN RO2 + 3.6900000E+04 2.4614930E+19 2.9815000E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 3.7800000E+04 2.4614930E+19 2.9815000E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 3.8700000E+04 2.4614930E+19 2.9815000E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 3.9600000E+04 2.4614930E+19 2.9815000E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.0500000E+04 2.4614930E+19 2.9815000E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.1400000E+04 2.4614930E+19 2.9815000E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.2300000E+04 2.4614930E+19 2.9815000E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.3200000E+04 2.4614930E+19 2.9815000E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.4100000E+04 2.4614930E+19 2.9815000E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.5000000E+04 2.4614930E+19 2.9815000E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.5900000E+04 2.4614930E+19 2.9815000E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.6800000E+04 2.4614930E+19 2.9815000E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.7700000E+04 2.4614930E+19 2.9815000E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.8600000E+04 2.4614930E+19 2.9815000E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.9500000E+04 2.4614930E+19 2.9815000E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 5.0400000E+04 2.4614930E+19 2.9815000E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 diff --git a/travis/new_tests/test1/modelOutput/errors.output b/travis/new_tests/test1/modelOutput/errors.output new file mode 100644 index 000000000..5dfb20c54 --- /dev/null +++ b/travis/new_tests/test1/modelOutput/errors.output @@ -0,0 +1,2 @@ +Number of fixed constrained species: 0 +Total number of constrained species: 0 diff --git a/travis/new_tests/test1/modelOutput/finalModelState.output b/travis/new_tests/test1/modelOutput/finalModelState.output new file mode 100644 index 000000000..326c8cf54 --- /dev/null +++ b/travis/new_tests/test1/modelOutput/finalModelState.output @@ -0,0 +1,2 @@ + HNO3 13758408864.430510 + NA 1241591135.5694811 diff --git a/travis/new_tests/test1/modelOutput/initialConditionsSetting.output b/travis/new_tests/test1/modelOutput/initialConditionsSetting.output new file mode 100644 index 000000000..da8ea43a5 --- /dev/null +++ b/travis/new_tests/test1/modelOutput/initialConditionsSetting.output @@ -0,0 +1 @@ +match, m = k = HNO3 concentration = 1.500E+10 diff --git a/travis/new_tests/test1/modelOutput/jacobian.output b/travis/new_tests/test1/modelOutput/jacobian.output new file mode 100644 index 000000000..e69de29bb diff --git a/travis/new_tests/test1/modelOutput/lossRates.output b/travis/new_tests/test1/modelOutput/lossRates.output new file mode 100644 index 000000000..82712a2dc --- /dev/null +++ b/travis/new_tests/test1/modelOutput/lossRates.output @@ -0,0 +1 @@ + time speciesNumber speciesName reactionNumber rate diff --git a/travis/new_tests/test1/modelOutput/mainSolverParameters.output b/travis/new_tests/test1/modelOutput/mainSolverParameters.output new file mode 100644 index 000000000..6b6718437 --- /dev/null +++ b/travis/new_tests/test1/modelOutput/mainSolverParameters.output @@ -0,0 +1,17 @@ + t currentStepSize previousStepSize LENRW LENIW NST NFE NETF NCFN NNI NSETUPS QU QCUR NOR LENRWLS LENIWLS LS_FLAG NFELS NJTV NPE NPS NLI NCFL + 3.69E+04 1.000000000E+02 1.000000000E+02 109 50 19 22 0 0 19 11 2 3 0 10611 105 0 17 17 1 34 17 0 + 3.78E+04 1.000000000E+02 1.000000000E+02 109 50 28 31 0 0 28 11 2 2 0 10611 105 0 26 26 1 52 26 0 + 3.87E+04 1.000000000E+02 1.000000000E+02 109 50 37 40 0 0 37 12 2 3 0 10611 105 0 35 35 1 70 35 0 + 3.96E+04 1.000000000E+02 1.000000000E+02 109 50 46 49 0 0 46 12 2 2 0 10611 105 0 44 44 1 88 44 0 + 4.05E+04 1.000000000E+02 1.000000000E+02 109 50 55 58 0 0 55 13 2 3 0 10611 105 0 53 53 1 106 53 0 + 4.14E+04 1.000000000E+02 1.000000000E+02 109 50 64 67 0 0 64 13 2 2 0 10611 105 0 62 62 1 124 62 0 + 4.23E+04 1.000000000E+02 1.000000000E+02 109 50 73 76 0 0 73 14 2 3 0 10611 105 0 64 64 2 128 64 0 + 4.32E+04 1.000000000E+02 1.000000000E+02 109 50 82 85 0 0 82 14 2 2 0 10611 105 0 64 64 2 128 64 0 + 4.41E+04 1.000000000E+02 1.000000000E+02 109 50 91 94 0 0 91 15 2 3 0 10611 105 0 64 64 2 128 64 0 + 4.50E+04 1.000000000E+02 1.000000000E+02 109 50 100 103 0 0 100 15 2 2 0 10611 105 0 64 64 2 128 64 0 + 4.59E+04 1.000000000E+02 1.000000000E+02 109 50 109 112 0 0 109 15 2 3 0 10611 105 0 64 64 2 128 64 0 + 4.68E+04 1.000000000E+02 1.000000000E+02 109 50 118 121 0 0 118 16 2 2 0 10611 105 0 64 64 2 128 64 0 + 4.77E+04 1.000000000E+02 1.000000000E+02 109 50 127 130 0 0 127 16 2 3 0 10611 105 0 64 64 2 128 64 0 + 4.86E+04 1.000000000E+02 1.000000000E+02 109 50 136 139 0 0 136 17 2 2 0 10611 105 0 64 64 3 128 64 0 + 4.95E+04 1.000000000E+02 1.000000000E+02 109 50 145 148 0 0 145 17 2 3 0 10611 105 0 64 64 3 128 64 0 + 5.04E+04 1.000000000E+02 1.000000000E+02 109 50 154 157 0 0 154 18 2 2 0 10611 105 0 64 64 3 128 64 0 diff --git a/travis/new_tests/test1/modelOutput/photoRateCalcParameters.output b/travis/new_tests/test1/modelOutput/photoRateCalcParameters.output new file mode 100644 index 000000000..7b6f8eff6 --- /dev/null +++ b/travis/new_tests/test1/modelOutput/photoRateCalcParameters.output @@ -0,0 +1,17 @@ + t latitude longitude secx cosx lha sinld cosld theta eqtime + 3.6000000E+04 5.1510000E+01 1.3000000E-01 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 + 3.6900000E+04 5.1510000E+01 1.3000000E-01 1.2154439E+00 8.2274470E-01 -4.6281977E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 3.7800000E+04 5.1510000E+01 1.3000000E-01 1.1928636E+00 8.3831880E-01 -3.9736992E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 3.8700000E+04 5.1510000E+01 1.3000000E-01 1.1742063E+00 8.5163913E-01 -3.3192008E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 3.9600000E+04 5.1510000E+01 1.3000000E-01 1.1592205E+00 8.6264863E-01 -2.6647023E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.0500000E+04 5.1510000E+01 1.3000000E-01 1.1477101E+00 8.7130016E-01 -2.0102038E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.1400000E+04 5.1510000E+01 1.3000000E-01 1.1395276E+00 8.7755667E-01 -1.3557054E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.2300000E+04 5.1510000E+01 1.3000000E-01 1.1345698E+00 8.8139137E-01 -7.0120688E-02 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.3200000E+04 5.1510000E+01 1.3000000E-01 1.1327750E+00 8.8278785E-01 -4.6708413E-03 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.4100000E+04 5.1510000E+01 1.3000000E-01 1.1341210E+00 8.8174011E-01 6.0779006E-02 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.5000000E+04 5.1510000E+01 1.3000000E-01 1.1386245E+00 8.7825266E-01 1.2622885E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.5900000E+04 5.1510000E+01 1.3000000E-01 1.1463415E+00 8.7234041E-01 1.9167870E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.6800000E+04 5.1510000E+01 1.3000000E-01 1.1573690E+00 8.6402869E-01 2.5712855E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.7700000E+04 5.1510000E+01 1.3000000E-01 1.1718479E+00 8.5335310E-01 3.2257839E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.8600000E+04 5.1510000E+01 1.3000000E-01 1.1899671E+00 8.4035934E-01 3.8802824E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.9500000E+04 5.1510000E+01 1.3000000E-01 1.2119698E+00 8.2510306E-01 4.5347809E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 diff --git a/travis/new_tests/test1/modelOutput/photolysisRates.output b/travis/new_tests/test1/modelOutput/photolysisRates.output new file mode 100644 index 000000000..0545b474c --- /dev/null +++ b/travis/new_tests/test1/modelOutput/photolysisRates.output @@ -0,0 +1,17 @@ + t J1 J2 J3 J4 J5 J6 J7 J8 J11 J12 J13 J14 J15 J16 J17 J18 J19 J21 J22 J23 J24 J31 J32 J33 J34 J35 J41 J51 J52 J53 J54 J55 J56 J57 J61 + 3.6900000E+04 2.4294302E-05 4.0878366E-04 6.4404215E-06 8.0299314E-03 2.1090263E-02 1.4560505E-01 1.7706054E-03 5.0438927E-07 2.6049678E-05 4.2166079E-05 3.4991572E-06 1.5130575E-05 1.5822931E-05 9.4926253E-06 4.3804359E-05 7.3459400E-06 7.3459400E-06 4.2256505E-07 2.9661523E-06 1.1861938E-05 1.1861938E-05 5.2270655E-05 7.8806889E-06 2.2948290E-05 1.1547127E-04 2.4882354E-04 4.7702633E-06 8.6140374E-07 9.9565110E-07 1.3208247E-06 2.2454815E-06 6.4469625E-06 4.1769249E-06 1.7657911E-06 4.9488568E-04 + 3.7800000E+04 2.5371602E-05 4.1181769E-04 6.5695935E-06 8.1155383E-03 2.1208468E-02 1.4644164E-01 1.7909014E-03 5.1974903E-07 2.6636052E-05 4.2856377E-05 3.6127839E-06 1.5561660E-05 1.6186671E-05 9.7108432E-06 4.4803196E-05 7.4506606E-06 7.4506606E-06 4.3792783E-07 3.0534012E-06 1.2030268E-05 1.2030268E-05 5.2636594E-05 7.9358605E-06 2.3391322E-05 1.1638531E-04 2.5072935E-04 4.8621981E-06 8.8659142E-07 1.0268893E-06 1.3608243E-06 2.3091729E-06 6.6117697E-06 4.2884490E-06 1.8224339E-06 5.0254774E-04 + 3.8700000E+04 2.6310063E-05 4.1437490E-04 6.6795795E-06 8.1874997E-03 2.1307603E-02 1.4714266E-01 1.8079740E-03 5.3296945E-07 2.7136079E-05 4.3440857E-05 3.7106519E-06 1.5931689E-05 1.6497101E-05 9.8970790E-06 4.5655074E-05 7.5391187E-06 7.5391187E-06 4.5123421E-07 3.1283468E-06 1.2172452E-05 1.2172452E-05 5.2942747E-05 7.9820182E-06 2.3767961E-05 1.1715139E-04 2.5232515E-04 4.9404052E-06 9.0824069E-07 1.0537922E-06 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2.5474523E-04 5.0611874E-06 9.4207592E-07 1.0959340E-06 1.4490792E-06 2.4492635E-06 6.9724986E-06 4.5329651E-06 1.9478176E-06 5.1900648E-04 + 4.6800000E+04 2.7197000E-05 4.1672317E-04 6.7814775E-06 8.2534248E-03 2.1398243E-02 1.4778314E-01 1.8236239E-03 5.4533384E-07 2.7599934E-05 4.3979702E-05 3.8022361E-06 1.6276929E-05 1.6785281E-05 1.0069966E-05 4.6445430E-05 7.6205023E-06 7.6205023E-06 4.6374769E-07 3.1983153E-06 1.2303259E-05 1.2303259E-05 5.3222060E-05 8.0241295E-06 2.4116423E-05 1.1785140E-04 2.5378213E-04 5.0128026E-06 9.2846345E-07 1.0789658E-06 1.4274092E-06 2.4149202E-06 6.8842853E-06 4.4731194E-06 1.9169802E-06 5.1502002E-04 + 4.7700000E+04 2.6431956E-05 4.1470148E-04 6.6936990E-06 8.1966770E-03 2.1320231E-02 1.4723192E-01 1.8101521E-03 5.3467607E-07 2.7200320E-05 4.3515674E-05 3.7232900E-06 1.5979389E-05 1.6537000E-05 9.9210155E-06 4.5764527E-05 7.5504282E-06 7.5504282E-06 4.5295749E-07 3.1380114E-06 1.2190629E-05 1.2190629E-05 5.2981696E-05 7.9878904E-06 2.3816273E-05 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2.3015564E-05 1.1561098E-04 2.4911497E-04 4.7842195E-06 8.6520911E-07 1.0003663E-06 1.3268652E-06 2.2551080E-06 6.4719050E-06 4.1937956E-06 1.7743374E-06 4.9605122E-04 + 5.0400000E+04 2.3270763E-05 4.0579595E-04 6.3146208E-06 7.9453931E-03 2.0973234E-02 1.4477603E-01 1.7505779E-03 4.8960430E-07 2.5479543E-05 4.1489717E-05 3.3898679E-06 1.4714399E-05 1.5469575E-05 9.2806370E-06 4.2833345E-05 7.2430701E-06 7.2430701E-06 4.0787724E-07 2.8819872E-06 1.1696576E-05 1.1696576E-05 5.1907419E-05 7.8259250E-06 2.2516095E-05 1.1456572E-04 2.4693353E-04 4.6806381E-06 8.3712212E-07 9.6560106E-07 1.2823035E-06 2.1840224E-06 6.2874361E-06 4.0690909E-06 1.7113544E-06 4.8737984E-04 diff --git a/travis/new_tests/test1/modelOutput/productionRates.output b/travis/new_tests/test1/modelOutput/productionRates.output new file mode 100644 index 000000000..82712a2dc --- /dev/null +++ b/travis/new_tests/test1/modelOutput/productionRates.output @@ -0,0 +1 @@ + time speciesNumber speciesName reactionNumber rate diff --git a/travis/new_tests/test2/environmentConstraints/TEMP b/travis/new_tests/test2/environmentConstraints/TEMP new file mode 100644 index 000000000..885c1e0c0 --- /dev/null +++ b/travis/new_tests/test2/environmentConstraints/TEMP @@ -0,0 +1,18 @@ +36000 289 +36900 295 +37800 302 +38700 286 +39600 301 +40500 307 +41400 297 +42300 292 +43200 283 +44100 278 +45000 298 +45900 296 +46800 284 +47700 281 +48600 305 +49500 306 +50400 310 +54000 308 diff --git a/travis/new_tests/test2/instantaneousRates/37800 b/travis/new_tests/test2/instantaneousRates/37800 new file mode 100644 index 000000000..a268aabbe --- /dev/null +++ b/travis/new_tests/test2/instantaneousRates/37800 @@ -0,0 +1 @@ + 35747068.209056288 diff --git a/travis/new_tests/test2/instantaneousRates/39600 b/travis/new_tests/test2/instantaneousRates/39600 new file mode 100644 index 000000000..10dc86eb1 --- /dev/null +++ b/travis/new_tests/test2/instantaneousRates/39600 @@ -0,0 +1 @@ + 35653537.087096117 diff --git a/travis/new_tests/test2/instantaneousRates/41400 b/travis/new_tests/test2/instantaneousRates/41400 new file mode 100644 index 000000000..939cba35c --- /dev/null +++ b/travis/new_tests/test2/instantaneousRates/41400 @@ -0,0 +1 @@ + 32750257.516630709 diff --git a/travis/new_tests/test2/instantaneousRates/43200 b/travis/new_tests/test2/instantaneousRates/43200 new file mode 100644 index 000000000..72586c03c --- /dev/null +++ b/travis/new_tests/test2/instantaneousRates/43200 @@ -0,0 +1 @@ + 24676516.734012637 diff --git a/travis/new_tests/test2/instantaneousRates/45000 b/travis/new_tests/test2/instantaneousRates/45000 new file mode 100644 index 000000000..93dc39c38 --- /dev/null +++ b/travis/new_tests/test2/instantaneousRates/45000 @@ -0,0 +1 @@ + 33378877.433457192 diff --git a/travis/new_tests/test2/instantaneousRates/46800 b/travis/new_tests/test2/instantaneousRates/46800 new file mode 100644 index 000000000..4334dc99f --- /dev/null +++ b/travis/new_tests/test2/instantaneousRates/46800 @@ -0,0 +1 @@ + 25182992.781806074 diff --git a/travis/new_tests/test2/instantaneousRates/48600 b/travis/new_tests/test2/instantaneousRates/48600 new file mode 100644 index 000000000..283e4acc5 --- /dev/null +++ b/travis/new_tests/test2/instantaneousRates/48600 @@ -0,0 +1 @@ + 38007933.703368932 diff --git a/travis/new_tests/test2/instantaneousRates/50400 b/travis/new_tests/test2/instantaneousRates/50400 new file mode 100644 index 000000000..57ab7b753 --- /dev/null +++ b/travis/new_tests/test2/instantaneousRates/50400 @@ -0,0 +1 @@ + 41451845.996427529 diff --git a/travis/new_tests/test2/mechanism.fac b/travis/new_tests/test2/mechanism.fac new file mode 100644 index 000000000..44ef0f5a8 --- /dev/null +++ b/travis/new_tests/test2/mechanism.fac @@ -0,0 +1,13 @@ +* Generic Rate Coefficients ; + +* Complex reactions ; + +* Peroxy radicals. ; + +RO2 = CH3O2 ; + +* Reaction definitions. ; +*; +* temperature dependence ; +* pseudo first-order reaction ; +% 1.85D-12*EXP(-1690/TEMP)*1.2e8 : CH4 = CH3O2 ; diff --git a/travis/new_tests/test2/modelConfiguration/concentrationOutput.config b/travis/new_tests/test2/modelConfiguration/concentrationOutput.config new file mode 100644 index 000000000..1cd08adc3 --- /dev/null +++ b/travis/new_tests/test2/modelConfiguration/concentrationOutput.config @@ -0,0 +1,2 @@ +CH4 +CH3O2 diff --git a/travis/new_tests/test2/modelConfiguration/constrainedFixedSpecies.config b/travis/new_tests/test2/modelConfiguration/constrainedFixedSpecies.config new file mode 100644 index 000000000..e69de29bb diff --git a/travis/new_tests/test2/modelConfiguration/constrainedPhotoRates.config b/travis/new_tests/test2/modelConfiguration/constrainedPhotoRates.config new file mode 100644 index 000000000..e69de29bb diff --git a/travis/new_tests/test2/modelConfiguration/constrainedSpecies.config b/travis/new_tests/test2/modelConfiguration/constrainedSpecies.config new file mode 100644 index 000000000..e69de29bb diff --git a/travis/new_tests/test2/modelConfiguration/environmentVariables.config b/travis/new_tests/test2/modelConfiguration/environmentVariables.config new file mode 100644 index 000000000..80a7e260c --- /dev/null +++ b/travis/new_tests/test2/modelConfiguration/environmentVariables.config @@ -0,0 +1,9 @@ +1 TEMP CONSTRAINED +2 PRESS 1013.25 +3 RH NOTUSED +5 H2O 3.91e+17 +5 DEC 0.41 +6 BLHEIGHT NOTUSED +7 DILUTE NOTUSED +8 JFAC NOTUSED +9 ROOFOPEN ON diff --git a/travis/new_tests/test2/modelConfiguration/initialConcentrations.config b/travis/new_tests/test2/modelConfiguration/initialConcentrations.config new file mode 100644 index 000000000..25a0510d2 --- /dev/null +++ b/travis/new_tests/test2/modelConfiguration/initialConcentrations.config @@ -0,0 +1 @@ +CH4 4.4e13 diff --git a/travis/new_tests/test2/modelConfiguration/lossRatesOutput.config b/travis/new_tests/test2/modelConfiguration/lossRatesOutput.config new file mode 100644 index 000000000..e69de29bb diff --git a/travis/new_tests/test2/modelConfiguration/model.parameters b/travis/new_tests/test2/modelConfiguration/model.parameters new file mode 100644 index 000000000..a4019899d --- /dev/null +++ b/travis/new_tests/test2/modelConfiguration/model.parameters @@ -0,0 +1,13 @@ +16 number of steps +900 step size (seconds) +2 species interpolation method (pw constant = 1, pw linear = 2) +2 conditions interpolation method (pw constant = 1, pw linear = 2) +1800 rates output step size (seconds) +36000 model start time (seconds) +0 jacobian output step size (seconds) +51.51 latitude (degrees) +0.13 longitude (degrees) +21 day +06 month +2010 year +1800 instantaneous rates output step size (seconds) diff --git a/travis/new_tests/test2/modelConfiguration/photolysisRates.config b/travis/new_tests/test2/modelConfiguration/photolysisRates.config new file mode 100644 index 000000000..ab1051fa2 --- /dev/null +++ b/travis/new_tests/test2/modelConfiguration/photolysisRates.config @@ -0,0 +1,36 @@ + J L M N name transmissionFactor + 1 6.073D-05 1.743 0.474 J1 1 + 2 4.775D-04 0.298 0.080 J2 1 + 3 1.041D-05 0.723 0.279 J3 1 + 4 1.165D-02 0.244 0.267 J4 1 + 5 2.485D-02 0.168 0.108 J5 1 + 6 1.747D-01 0.155 0.125 J6 1 + 7 2.644D-03 0.261 0.288 J7 1 + 8 9.312D-07 1.230 0.307 J8 1 + 11 4.642D-05 0.762 0.353 J11 1 + 12 6.853D-05 0.477 0.323 J12 1 + 13 7.344D-06 1.202 0.417 J13 1 + 14 2.879D-05 1.067 0.358 J14 1 + 15 2.792D-05 0.805 0.338 J15 1 + 16 1.675D-05 0.805 0.338 J16 1 + 17 7.914D-05 0.764 0.364 J17 1 + 18 1.140D-05 0.396 0.298 J18 1 + 19 1.140D-05 0.396 0.298 J19 1 + 21 7.992D-07 1.578 0.271 J21 1 + 22 5.804D-06 1.092 0.377 J22 1 + 23 1.836D-05 0.395 0.296 J23 1 + 24 1.836D-05 0.395 0.296 J24 1 + 31 6.845D-05 0.130 0.201 J31 1 + 32 1.032D-05 0.130 0.201 J32 1 + 33 3.802D-05 0.644 0.312 J33 1 + 34 1.537D-04 0.170 0.208 J34 1 + 35 3.326D-04 0.148 0.215 J35 1 + 41 7.649D-06 0.682 0.279 J41 1 + 51 1.588D-06 1.154 0.318 J51 1 + 52 1.907D-06 1.244 0.335 J52 1 + 53 2.485D-06 1.196 0.328 J53 1 + 54 4.095D-06 1.111 0.316 J54 1 + 55 1.135D-05 0.974 0.309 J55 1 + 56 7.549D-06 1.015 0.324 J56 1 + 57 3.363D-06 1.296 0.322 J57 1 + 61 7.537D-04 0.499 0.266 J61 1 diff --git a/travis/new_tests/test2/modelConfiguration/productionRatesOutput.config b/travis/new_tests/test2/modelConfiguration/productionRatesOutput.config new file mode 100644 index 000000000..e69de29bb diff --git a/travis/new_tests/test2/modelConfiguration/solver.parameters b/travis/new_tests/test2/modelConfiguration/solver.parameters new file mode 100644 index 000000000..e1ce01a54 --- /dev/null +++ b/travis/new_tests/test2/modelConfiguration/solver.parameters @@ -0,0 +1,9 @@ +1.0e-03 atol +1.0e-04 rtol +1.0e-04 delta main +100 lookback +100 maximum solver step size (seconds) +100000 maximum number of steps in solver +2 solver type (1 = spgmr, 2 = spgmr + banded preconditioner, 3 = dense) +750 banded preconditioner upper bandwidth +750 banded preconditioner lower bandwidth diff --git a/travis/new_tests/test2/modelOutput/concentration.output b/travis/new_tests/test2/modelOutput/concentration.output new file mode 100644 index 000000000..da6575b6b --- /dev/null +++ b/travis/new_tests/test2/modelOutput/concentration.output @@ -0,0 +1,18 @@ + t CH4 CH3O2 + 3.6000000E+04 4.4000000E+13 0.0000000E+00 + 3.6900000E+04 4.3973052E+13 2.6948493E+10 + 3.7800000E+04 4.3942505E+13 5.7494623E+10 + 3.8700000E+04 4.3914436E+13 8.5563702E+10 + 3.9600000E+04 4.3886672E+13 1.1332805E+11 + 4.0500000E+04 4.3852929E+13 1.4707080E+11 + 4.1400000E+04 4.3820405E+13 1.7959480E+11 + 4.2300000E+04 4.3792214E+13 2.0778641E+11 + 4.3200000E+04 4.3767703E+13 2.3229720E+11 + 4.4100000E+04 4.3746536E+13 2.5346394E+11 + 4.5000000E+04 4.3721686E+13 2.7831416E+11 + 4.5900000E+04 4.3692223E+13 3.0777660E+11 + 4.6800000E+04 4.3666486E+13 3.3351441E+11 + 4.7700000E+04 4.3644444E+13 3.5555558E+11 + 4.8600000E+04 4.3616997E+13 3.8300321E+11 + 4.9500000E+04 4.3582552E+13 4.1744824E+11 + 5.0400000E+04 4.3546508E+13 4.5349155E+11 diff --git a/travis/new_tests/test2/modelOutput/envVar.output b/travis/new_tests/test2/modelOutput/envVar.output new file mode 100644 index 000000000..4bca2aea5 --- /dev/null +++ b/travis/new_tests/test2/modelOutput/envVar.output @@ -0,0 +1,17 @@ + t M TEMP PRESS RH H2O DEC BLHEIGHT DILUTE JFAC ROOFOPEN RO2 + 3.6900000E+04 2.4826026E+19 2.9561483E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 2.6948493E+10 + 3.7800000E+04 2.4357725E+19 3.0129831E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 5.7494623E+10 + 3.8700000E+04 2.5622724E+19 2.8642315E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 8.5563702E+10 + 3.9600000E+04 2.4363602E+19 3.0122563E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 1.1332805E+11 + 4.0500000E+04 2.3934665E+19 3.0662395E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 1.4707080E+11 + 4.1400000E+04 2.4725894E+19 2.9681197E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 1.7959480E+11 + 4.2300000E+04 2.5162526E+19 2.9166155E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 2.0778641E+11 + 4.3200000E+04 2.5949896E+19 2.8281197E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 2.3229720E+11 + 4.4100000E+04 2.6327842E+19 2.7875211E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 2.5346394E+11 + 4.5000000E+04 2.4633537E+19 2.9792479E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 2.7831416E+11 + 4.5900000E+04 2.4831578E+19 2.9554874E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 3.0777660E+11 + 4.6800000E+04 2.5851612E+19 2.8388718E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 3.3351441E+11 + 4.7700000E+04 2.6033613E+19 2.8190253E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 3.5555558E+11 + 4.8600000E+04 2.4059136E+19 3.0503761E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 3.8300321E+11 + 4.9500000E+04 2.3971685E+19 3.0615042E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 4.1744824E+11 + 5.0400000E+04 2.3675440E+19 3.0998120E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 4.5349155E+11 diff --git a/travis/new_tests/test2/modelOutput/errors.output b/travis/new_tests/test2/modelOutput/errors.output new file mode 100644 index 000000000..5dfb20c54 --- /dev/null +++ b/travis/new_tests/test2/modelOutput/errors.output @@ -0,0 +1,2 @@ +Number of fixed constrained species: 0 +Total number of constrained species: 0 diff --git a/travis/new_tests/test2/modelOutput/finalModelState.output b/travis/new_tests/test2/modelOutput/finalModelState.output new file mode 100644 index 000000000..2c40c784e --- /dev/null +++ b/travis/new_tests/test2/modelOutput/finalModelState.output @@ -0,0 +1,2 @@ + CH4 43546508453253.305 + CH3O2 453491546746.71558 diff --git a/travis/new_tests/test2/modelOutput/initialConditionsSetting.output b/travis/new_tests/test2/modelOutput/initialConditionsSetting.output new file mode 100644 index 000000000..93c769ca1 --- /dev/null +++ b/travis/new_tests/test2/modelOutput/initialConditionsSetting.output @@ -0,0 +1 @@ +match, m = k = CH4 concentration = 4.400E+13 diff --git a/travis/new_tests/test2/modelOutput/jacobian.output b/travis/new_tests/test2/modelOutput/jacobian.output new file mode 100644 index 000000000..e69de29bb diff --git a/travis/new_tests/test2/modelOutput/lossRates.output b/travis/new_tests/test2/modelOutput/lossRates.output new file mode 100644 index 000000000..82712a2dc --- /dev/null +++ b/travis/new_tests/test2/modelOutput/lossRates.output @@ -0,0 +1 @@ + time speciesNumber speciesName reactionNumber rate diff --git a/travis/new_tests/test2/modelOutput/mainSolverParameters.output b/travis/new_tests/test2/modelOutput/mainSolverParameters.output new file mode 100644 index 000000000..5236f84b9 --- /dev/null +++ b/travis/new_tests/test2/modelOutput/mainSolverParameters.output @@ -0,0 +1,17 @@ + t currentStepSize previousStepSize LENRW LENIW NST NFE NETF NCFN NNI NSETUPS QU QCUR NOR LENRWLS LENIWLS LS_FLAG NFELS NJTV NPE NPS NLI NCFL + 3.69E+04 1.000000000E+02 1.000000000E+02 109 50 21 23 0 0 22 13 3 3 0 10611 105 0 18 18 1 36 18 0 + 3.78E+04 6.042066750E+01 6.042066750E+01 109 50 30 35 1 0 34 14 3 3 0 10611 105 0 28 28 1 56 28 0 + 3.87E+04 4.423620529E+01 4.423620529E+01 109 50 41 49 2 0 48 16 2 2 0 10611 105 0 40 40 1 80 40 0 + 3.96E+04 1.000000000E+02 1.000000000E+02 109 50 52 61 2 0 60 18 2 2 0 10611 105 0 51 51 1 102 51 0 + 4.05E+04 1.000000000E+02 1.000000000E+02 109 50 61 71 2 0 70 18 2 2 0 10611 105 0 60 60 1 120 60 0 + 4.14E+04 1.000000000E+02 1.000000000E+02 109 50 70 80 2 0 79 19 2 2 0 10611 105 0 69 69 2 138 69 0 + 4.23E+04 1.000000000E+02 1.000000000E+02 109 50 79 90 2 0 89 19 2 2 0 10611 105 0 78 78 2 156 78 0 + 4.32E+04 1.000000000E+02 1.000000000E+02 109 50 88 99 2 0 98 20 2 2 0 10611 105 0 87 87 2 174 87 0 + 4.41E+04 1.000000000E+02 1.000000000E+02 109 50 97 109 2 0 108 20 2 1 0 10611 105 0 96 96 2 192 96 0 + 4.50E+04 1.000000000E+02 1.000000000E+02 109 50 106 120 2 0 119 21 2 2 0 10611 105 0 105 105 2 210 105 0 + 4.59E+04 1.000000000E+02 1.000000000E+02 109 50 115 130 2 0 129 21 2 2 0 10611 105 0 114 114 2 228 114 0 + 4.68E+04 1.000000000E+02 1.000000000E+02 109 50 124 139 2 0 138 21 2 2 0 10611 105 0 123 123 2 246 123 0 + 4.77E+04 1.000000000E+02 1.000000000E+02 109 50 133 149 2 0 148 22 2 2 0 10611 105 0 132 132 3 264 132 0 + 4.86E+04 1.000000000E+02 1.000000000E+02 109 50 142 159 2 0 158 22 2 2 0 10611 105 0 141 141 3 282 141 0 + 4.95E+04 1.000000000E+02 1.000000000E+02 109 50 151 168 2 0 167 23 2 2 0 10611 105 0 150 150 3 300 150 0 + 5.04E+04 1.000000000E+02 1.000000000E+02 109 50 160 177 2 0 176 23 2 2 0 10611 105 0 159 159 3 318 159 0 diff --git a/travis/new_tests/test2/modelOutput/photoRateCalcParameters.output b/travis/new_tests/test2/modelOutput/photoRateCalcParameters.output new file mode 100644 index 000000000..16d5eef82 --- /dev/null +++ b/travis/new_tests/test2/modelOutput/photoRateCalcParameters.output @@ -0,0 +1,17 @@ + t latitude longitude secx cosx lha sinld cosld theta eqtime + 3.6000000E+04 5.1510000E+01 1.3000000E-01 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 + 3.6900000E+04 5.1510000E+01 1.3000000E-01 1.2149183E+00 8.2310060E-01 -4.6142125E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 3.7800000E+04 5.1510000E+01 1.3000000E-01 1.1933297E+00 8.3799135E-01 -3.9884970E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 3.8700000E+04 5.1510000E+01 1.3000000E-01 1.1748510E+00 8.5117174E-01 -3.3442386E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 3.9600000E+04 5.1510000E+01 1.3000000E-01 1.1596035E+00 8.6236374E-01 -2.6835908E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.0500000E+04 5.1510000E+01 1.3000000E-01 1.1479951E+00 8.7108388E-01 -2.0290923E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.1400000E+04 5.1510000E+01 1.3000000E-01 1.1397181E+00 8.7740994E-01 -1.3745938E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.2300000E+04 5.1510000E+01 1.3000000E-01 1.1346683E+00 8.8131482E-01 -7.2009536E-02 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.3200000E+04 5.1510000E+01 1.3000000E-01 1.1327828E+00 8.8278179E-01 -6.5596888E-03 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.4100000E+04 5.1510000E+01 1.3000000E-01 1.1340381E+00 8.8180458E-01 5.8890158E-02 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.5000000E+04 5.1510000E+01 1.3000000E-01 1.1384499E+00 8.7838738E-01 1.2434001E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.5900000E+04 5.1510000E+01 1.3000000E-01 1.1460730E+00 8.7254481E-01 1.8978985E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.6800000E+04 5.1510000E+01 1.3000000E-01 1.1570031E+00 8.6430189E-01 2.5523970E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.7700000E+04 5.1510000E+01 1.3000000E-01 1.1713800E+00 8.5369392E-01 3.2068955E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.8600000E+04 5.1510000E+01 1.3000000E-01 1.1893911E+00 8.4076633E-01 3.8613939E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.9500000E+04 5.1510000E+01 1.3000000E-01 1.2112778E+00 8.2557447E-01 4.5158924E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 diff --git a/travis/new_tests/test2/modelOutput/photolysisRates.output b/travis/new_tests/test2/modelOutput/photolysisRates.output new file mode 100644 index 000000000..9f581231e --- /dev/null +++ b/travis/new_tests/test2/modelOutput/photolysisRates.output @@ -0,0 +1,17 @@ + t J1 J2 J3 J4 J5 J6 J7 J8 J11 J12 J13 J14 J15 J16 J17 J18 J19 J21 J22 J23 J24 J31 J32 J33 J34 J35 J41 J51 J52 J53 J54 J55 J56 J57 J61 + 3.6900000E+04 2.4318680E-05 4.0885354E-04 6.4433804E-06 8.0319058E-03 2.1092992E-02 1.4562437E-01 1.7710734E-03 5.0473908E-07 2.6063099E-05 4.2181938E-05 3.5017440E-06 1.5140407E-05 1.5831253E-05 9.4976177E-06 4.3827219E-05 7.3483490E-06 7.3483490E-06 4.2291377E-07 2.9681415E-06 1.1865811E-05 1.1865811E-05 5.2279116E-05 7.8819646E-06 2.2958447E-05 1.1549238E-04 2.4886758E-04 4.7723703E-06 8.6197781E-07 9.9636232E-07 1.3217359E-06 2.2469338E-06 6.4507263E-06 4.1794705E-06 1.7670801E-06 4.9506169E-04 + 3.7800000E+04 2.5348730E-05 4.1175439E-04 6.5668840E-06 8.1137549E-03 2.1206009E-02 1.4642424E-01 1.7904784E-03 5.1942500E-07 2.6623743E-05 4.2841941E-05 3.6103859E-06 1.5552579E-05 1.6179032E-05 9.7062603E-06 4.4782226E-05 7.4484733E-06 7.4484733E-06 4.3760266E-07 3.0515625E-06 1.2026752E-05 1.2026752E-05 5.2628990E-05 7.9347140E-06 2.3382037E-05 1.1636630E-04 2.5068973E-04 4.8602707E-06 8.8606045E-07 1.0262301E-06 1.3599807E-06 2.3078308E-06 6.6083024E-06 4.2861014E-06 1.8212380E-06 5.0238748E-04 + 3.8700000E+04 2.6276868E-05 4.1428575E-04 6.6757278E-06 8.1849938E-03 2.1304154E-02 1.4711829E-01 1.8073794E-03 5.3250428E-07 2.7118557E-05 4.3420440E-05 3.7072073E-06 1.5918685E-05 1.6486219E-05 9.8905505E-06 4.5625221E-05 7.5360319E-06 7.5360319E-06 4.5076472E-07 3.1257121E-06 1.2167490E-05 1.2167490E-05 5.2932108E-05 7.9804143E-06 2.3754780E-05 1.1712475E-04 2.5226968E-04 4.9376676E-06 9.0747941E-07 1.0528454E-06 1.3940267E-06 2.3619457E-06 6.7479387E-06 4.3806840E-06 1.8695396E-06 5.0880991E-04 + 3.9600000E+04 2.7077025E-05 4.1640927E-04 6.7678064E-06 8.2446210E-03 2.1386149E-02 1.4769771E-01 1.8215335E-03 5.4366851E-07 2.7537669E-05 4.3907555E-05 3.7898979E-06 1.6230476E-05 1.6746586E-05 1.0046752E-05 4.6339331E-05 7.6096150E-06 7.6096150E-06 4.6205845E-07 3.1888983E-06 1.2285760E-05 1.2285760E-05 5.3184824E-05 8.0185155E-06 2.4069699E-05 1.1775802E-04 2.5358784E-04 5.0030927E-06 9.2574107E-07 1.0755745E-06 1.4230768E-06 2.4080498E-06 6.8666212E-06 4.4611397E-06 1.9108188E-06 5.1421882E-04 + 4.0500000E+04 2.7708093E-05 4.1804768E-04 6.8393313E-06 8.2905420E-03 2.1449202E-02 1.4814303E-01 1.8324391E-03 5.5240346E-07 2.7863545E-05 4.4284516E-05 3.8546233E-06 1.6473973E-05 1.6949143E-05 1.0168272E-05 4.6894634E-05 7.6664686E-06 7.6664686E-06 4.7093202E-07 3.2382680E-06 1.2377139E-05 1.2377139E-05 5.3378836E-05 8.0477660E-06 2.4314064E-05 1.1824477E-04 2.5460036E-04 5.0538822E-06 9.4001572E-07 1.0933647E-06 1.4457988E-06 2.4440668E-06 6.9591596E-06 4.5239136E-06 1.9431473E-06 5.1840523E-04 + 4.1400000E+04 2.8170074E-05 4.1922761E-04 6.8911012E-06 8.3235670E-03 2.1494498E-02 1.4846280E-01 1.8402847E-03 5.5876000E-07 2.8099585E-05 4.4556593E-05 3.9017395E-06 1.6650924E-05 1.7095921E-05 1.0256328E-05 4.7296883E-05 7.7074554E-06 7.7074554E-06 4.7740981E-07 3.2741582E-06 1.2443014E-05 1.2443014E-05 5.3518034E-05 8.0687526E-06 2.4490795E-05 1.1859431E-04 2.5532713E-04 5.0906267E-06 9.5039630E-07 1.1063145E-06 1.4623301E-06 2.4702470E-06 7.0263277E-06 4.5694999E-06 1.9666903E-06 5.2142721E-04 + 4.2300000E+04 2.8456988E-05 4.1995235E-04 6.9230078E-06 8.3438329E-03 2.1522274E-02 1.4865883E-01 1.8451002E-03 5.6269190E-07 2.8245132E-05 4.4723960E-05 3.9308899E-06 1.6760278E-05 1.7186452E-05 1.0310640E-05 4.7544928E-05 7.7326483E-06 7.7326483E-06 4.8142526E-07 3.2963431E-06 1.2483504E-05 1.2483504E-05 5.3603318E-05 8.0816106E-06 2.4599660E-05 1.1880860E-04 2.5577253E-04 5.1132659E-06 9.5681429E-07 1.1143263E-06 1.4725541E-06 2.4864286E-06 7.0678032E-06 4.5976582E-06 1.9812602E-06 5.2328633E-04 + 4.3200000E+04 2.8565119E-05 4.2022392E-04 6.9349847E-06 8.3514229E-03 2.1532673E-02 1.4873220E-01 1.8469040E-03 5.6417065E-07 2.8299780E-05 4.4786723E-05 3.9418541E-06 1.6801384E-05 1.7220448E-05 1.0331035E-05 4.7638064E-05 7.7420918E-06 7.7420918E-06 4.8293711E-07 3.3046835E-06 1.2498682E-05 1.2498682E-05 5.3635233E-05 8.0864222E-06 2.4640513E-05 1.1888881E-04 2.5593923E-04 5.1217627E-06 9.5922743E-07 1.1173397E-06 1.4763989E-06 2.4925118E-06 7.0833874E-06 4.6082404E-06 1.9867412E-06 5.2398353E-04 + 4.4100000E+04 2.8493068E-05 4.2004306E-04 6.9270070E-06 8.3463683E-03 2.1525748E-02 1.4868334E-01 1.8457028E-03 5.6318550E-07 2.8263379E-05 4.4744921E-05 3.9345496E-06 1.6774000E-05 1.7197803E-05 1.0317450E-05 4.7576026E-05 7.7358024E-06 7.7358024E-06 4.8192981E-07 3.2991272E-06 1.2488574E-05 1.2488574E-05 5.3613981E-05 8.0832181E-06 2.4613302E-05 1.1883540E-04 2.5582822E-04 5.1161032E-06 9.5761982E-07 1.1153322E-06 1.4738375E-06 2.4884593E-06 7.0730060E-06 4.6011910E-06 1.9830896E-06 5.2351917E-04 + 4.5000000E+04 2.8241767E-05 4.1940927E-04 6.8990913E-06 8.3286483E-03 2.1501464E-02 1.4851196E-01 1.8414920E-03 5.5974361E-07 2.8136028E-05 4.4598528E-05 3.9090314E-06 1.6678288E-05 1.7118587E-05 1.0269926E-05 4.7358989E-05 7.7137691E-06 7.7137691E-06 4.7841372E-07 3.2797091E-06 1.2453162E-05 1.2453162E-05 5.3539427E-05 8.0719779E-06 2.4518062E-05 1.1864805E-04 2.5543885E-04 5.0962966E-06 9.5200206E-07 1.1083187E-06 1.4648878E-06 2.4742959E-06 7.0367084E-06 4.5765469E-06 1.9703346E-06 5.2189302E-04 + 4.5900000E+04 2.7814470E-05 4.1832081E-04 6.8512957E-06 8.2981901E-03 2.1459695E-02 1.4821712E-01 1.8342558E-03 5.5386995E-07 2.7918083E-05 4.4347452E-05 3.8654922E-06 1.6514815E-05 1.6983052E-05 1.0188615E-05 4.6987572E-05 7.6759531E-06 7.6759531E-06 4.7242496E-07 3.2465509E-06 1.2392383E-05 1.2392383E-05 5.3411096E-05 8.0526299E-06 2.4354918E-05 1.1832576E-04 2.5476878E-04 5.0623754E-06 9.4241112E-07 1.0963520E-06 1.4496129E-06 2.4501090E-06 6.9746685E-06 4.5344377E-06 1.9485776E-06 5.1910424E-04 + 4.6800000E+04 2.7216710E-05 4.1677463E-04 6.7837200E-06 8.2548677E-03 2.1400225E-02 1.4779714E-01 1.8239666E-03 5.4560721E-07 2.7610149E-05 4.3991532E-05 3.8042615E-06 1.6284553E-05 1.6791629E-05 1.0073775E-05 4.6462835E-05 7.6222872E-06 7.6222872E-06 4.6402510E-07 3.1998609E-06 1.2306128E-05 1.2306128E-05 5.3228162E-05 8.0250493E-06 2.4124087E-05 1.1786670E-04 2.5381397E-04 5.0143952E-06 9.2891029E-07 1.0795225E-06 1.4281204E-06 2.4160478E-06 6.8871838E-06 4.4750853E-06 1.9179917E-06 5.1515139E-04 + 4.7700000E+04 2.6456225E-05 4.1476635E-04 6.6965058E-06 8.1984997E-03 2.1322739E-02 1.4724965E-01 1.8105847E-03 5.3501558E-07 2.7213091E-05 4.3530541E-05 3.7258043E-06 1.5988877E-05 1.6544933E-05 9.9257744E-06 4.5786287E-05 7.5526751E-06 7.5526751E-06 4.5330046E-07 3.1399338E-06 1.2194241E-05 1.2194241E-05 5.2989429E-05 7.9890563E-06 2.3825876E-05 1.1726831E-04 2.5256859E-04 4.9524351E-06 9.1158890E-07 1.0579572E-06 1.4005621E-06 2.3723234E-06 6.7746758E-06 4.3988040E-06 1.8788210E-06 5.1003239E-04 + 4.8600000E+04 2.5542861E-05 4.1229013E-04 6.5898366E-06 8.1288464E-03 2.1226817E-02 1.4657143E-01 1.7940579E-03 5.2217248E-07 2.6728032E-05 4.2964177E-05 3.6307196E-06 1.5629560E-05 1.6243757E-05 9.7450908E-06 4.4959890E-05 7.4669900E-06 7.4669900E-06 4.4036130E-07 3.0671499E-06 1.2056516E-05 1.2056516E-05 5.2693312E-05 7.9444117E-06 2.3460684E-05 1.1652714E-04 2.5102490E-04 4.8765972E-06 8.9056204E-07 1.0318198E-06 1.3671337E-06 2.3192077E-06 6.6376890E-06 4.3059994E-06 1.8313791E-06 5.0374443E-04 + 4.9500000E+04 2.4488441E-05 4.0933854E-04 6.4639383E-06 8.0456061E-03 2.1111929E-02 1.4575844E-01 1.7743205E-03 5.0717218E-07 2.6156360E-05 4.2292067E-05 3.5197378E-06 1.5208775E-05 1.5889085E-05 9.5323126E-06 4.3986071E-05 7.3650730E-06 7.3650730E-06 4.2534071E-07 2.9819744E-06 1.1892694E-05 1.1892694E-05 5.2337800E-05 7.8908122E-06 2.3029004E-05 1.1563885E-04 2.4917310E-04 4.7870077E-06 8.6597014E-07 1.0013094E-06 1.3280734E-06 2.2570330E-06 6.4768914E-06 4.1971686E-06 1.7760471E-06 4.9628398E-04 + 5.0400000E+04 2.3306611E-05 4.0590242E-04 6.3190798E-06 7.9484096E-03 2.0977415E-02 1.4480566E-01 1.7512923E-03 4.9012541E-07 2.5499735E-05 4.1513760E-05 3.3937185E-06 1.4729088E-05 1.5482085E-05 9.2881418E-06 4.2867733E-05 7.2467314E-06 7.2467314E-06 4.0839324E-07 2.8849567E-06 1.1702462E-05 1.1702462E-05 5.1920412E-05 7.8278839E-06 2.2531427E-05 1.1459808E-04 2.4700111E-04 4.6838164E-06 8.3797857E-07 9.6665987E-07 1.2836615E-06 2.1861912E-06 6.2930739E-06 4.0728999E-06 1.7132716E-06 4.8764663E-04 diff --git a/travis/new_tests/test2/modelOutput/productionRates.output b/travis/new_tests/test2/modelOutput/productionRates.output new file mode 100644 index 000000000..82712a2dc --- /dev/null +++ b/travis/new_tests/test2/modelOutput/productionRates.output @@ -0,0 +1 @@ + time speciesNumber speciesName reactionNumber rate diff --git a/travis/new_tests/test3/environmentConstraints/J1 b/travis/new_tests/test3/environmentConstraints/J1 new file mode 100644 index 000000000..4aa90dc98 --- /dev/null +++ b/travis/new_tests/test3/environmentConstraints/J1 @@ -0,0 +1,18 @@ +36000 2.1e-05 +36900 1.8e-05 +37800 1.7e-05 +38700 3.0e-05 +39600 2.7e-05 +40500 1.4e-05 +41400 2.3e-05 +42300 3.2e-05 +43200 3.6e-05 +44100 2.8e-05 +45000 1.6e-05 +45900 1.3e-05 +46800 1.5e-05 +47700 2.2e-05 +48600 3.5e-05 +49500 3.4e-05 +50400 2.9e-05 +54000 2.6e-05 diff --git a/travis/new_tests/test3/instantaneousRates/37800 b/travis/new_tests/test3/instantaneousRates/37800 new file mode 100644 index 000000000..78d84aee3 --- /dev/null +++ b/travis/new_tests/test3/instantaneousRates/37800 @@ -0,0 +1 @@ + 38813432.583545260 diff --git a/travis/new_tests/test3/instantaneousRates/39600 b/travis/new_tests/test3/instantaneousRates/39600 new file mode 100644 index 000000000..efcdd6fa1 --- /dev/null +++ b/travis/new_tests/test3/instantaneousRates/39600 @@ -0,0 +1 @@ + 56241920.172418900 diff --git a/travis/new_tests/test3/instantaneousRates/41400 b/travis/new_tests/test3/instantaneousRates/41400 new file mode 100644 index 000000000..15cd8311a --- /dev/null +++ b/travis/new_tests/test3/instantaneousRates/41400 @@ -0,0 +1 @@ + 47955616.597139165 diff --git a/travis/new_tests/test3/instantaneousRates/43200 b/travis/new_tests/test3/instantaneousRates/43200 new file mode 100644 index 000000000..f0bf41779 --- /dev/null +++ b/travis/new_tests/test3/instantaneousRates/43200 @@ -0,0 +1 @@ + 68992487.082271263 diff --git a/travis/new_tests/test3/instantaneousRates/45000 b/travis/new_tests/test3/instantaneousRates/45000 new file mode 100644 index 000000000..c35c9e197 --- /dev/null +++ b/travis/new_tests/test3/instantaneousRates/45000 @@ -0,0 +1 @@ + 29279667.474962283 diff --git a/travis/new_tests/test3/instantaneousRates/46800 b/travis/new_tests/test3/instantaneousRates/46800 new file mode 100644 index 000000000..9d505ec34 --- /dev/null +++ b/travis/new_tests/test3/instantaneousRates/46800 @@ -0,0 +1 @@ + 27576355.717691775 diff --git a/travis/new_tests/test3/instantaneousRates/48600 b/travis/new_tests/test3/instantaneousRates/48600 new file mode 100644 index 000000000..bbf4e63a7 --- /dev/null +++ b/travis/new_tests/test3/instantaneousRates/48600 @@ -0,0 +1 @@ + 60242140.995042332 diff --git a/travis/new_tests/test3/instantaneousRates/50400 b/travis/new_tests/test3/instantaneousRates/50400 new file mode 100644 index 000000000..8bd4488ed --- /dev/null +++ b/travis/new_tests/test3/instantaneousRates/50400 @@ -0,0 +1 @@ + 47051009.489219338 diff --git a/travis/new_tests/test3/mechanism.fac b/travis/new_tests/test3/mechanism.fac new file mode 100644 index 000000000..c0d15019e --- /dev/null +++ b/travis/new_tests/test3/mechanism.fac @@ -0,0 +1,12 @@ +* Generic Rate Coefficients ; + +* Complex reactions ; + +* Peroxy radicals. ; + +RO2 = ; + +* Reaction definitions. ; +*; +* photolysis reaction ; +% J<1> : O3 = O1D ; diff --git a/travis/new_tests/test3/modelConfiguration/concentrationOutput.config b/travis/new_tests/test3/modelConfiguration/concentrationOutput.config new file mode 100644 index 000000000..295c5700a --- /dev/null +++ b/travis/new_tests/test3/modelConfiguration/concentrationOutput.config @@ -0,0 +1,2 @@ +O3 +O1D diff --git a/travis/new_tests/test3/modelConfiguration/constrainedFixedSpecies.config b/travis/new_tests/test3/modelConfiguration/constrainedFixedSpecies.config new file mode 100644 index 000000000..e69de29bb diff --git a/travis/new_tests/test3/modelConfiguration/constrainedPhotoRates.config b/travis/new_tests/test3/modelConfiguration/constrainedPhotoRates.config new file mode 100644 index 000000000..f4eee8db8 --- /dev/null +++ b/travis/new_tests/test3/modelConfiguration/constrainedPhotoRates.config @@ -0,0 +1 @@ +J1 diff --git a/travis/new_tests/test3/modelConfiguration/constrainedSpecies.config b/travis/new_tests/test3/modelConfiguration/constrainedSpecies.config new file mode 100644 index 000000000..e69de29bb diff --git a/travis/new_tests/test3/modelConfiguration/environmentVariables.config b/travis/new_tests/test3/modelConfiguration/environmentVariables.config new file mode 100644 index 000000000..cc9d26ef7 --- /dev/null +++ b/travis/new_tests/test3/modelConfiguration/environmentVariables.config @@ -0,0 +1,9 @@ +1 TEMP 298 +2 PRESS 1013.25 +3 RH NOTUSED +5 H2O 3.91e+17 +5 DEC 0.41 +6 BLHEIGHT NOTUSED +7 DILUTE NOTUSED +8 JFAC NOTUSED +9 ROOFOPEN ON diff --git a/travis/new_tests/test3/modelConfiguration/initialConcentrations.config b/travis/new_tests/test3/modelConfiguration/initialConcentrations.config new file mode 100644 index 000000000..041eca342 --- /dev/null +++ b/travis/new_tests/test3/modelConfiguration/initialConcentrations.config @@ -0,0 +1 @@ +O3 2.3e12 diff --git a/travis/new_tests/test3/modelConfiguration/lossRatesOutput.config b/travis/new_tests/test3/modelConfiguration/lossRatesOutput.config new file mode 100644 index 000000000..e69de29bb diff --git a/travis/new_tests/test3/modelConfiguration/model.parameters b/travis/new_tests/test3/modelConfiguration/model.parameters new file mode 100644 index 000000000..a4019899d --- /dev/null +++ b/travis/new_tests/test3/modelConfiguration/model.parameters @@ -0,0 +1,13 @@ +16 number of steps +900 step size (seconds) +2 species interpolation method (pw constant = 1, pw linear = 2) +2 conditions interpolation method (pw constant = 1, pw linear = 2) +1800 rates output step size (seconds) +36000 model start time (seconds) +0 jacobian output step size (seconds) +51.51 latitude (degrees) +0.13 longitude (degrees) +21 day +06 month +2010 year +1800 instantaneous rates output step size (seconds) diff --git a/travis/new_tests/test3/modelConfiguration/photolysisRates.config b/travis/new_tests/test3/modelConfiguration/photolysisRates.config new file mode 100644 index 000000000..ab1051fa2 --- /dev/null +++ b/travis/new_tests/test3/modelConfiguration/photolysisRates.config @@ -0,0 +1,36 @@ + J L M N name transmissionFactor + 1 6.073D-05 1.743 0.474 J1 1 + 2 4.775D-04 0.298 0.080 J2 1 + 3 1.041D-05 0.723 0.279 J3 1 + 4 1.165D-02 0.244 0.267 J4 1 + 5 2.485D-02 0.168 0.108 J5 1 + 6 1.747D-01 0.155 0.125 J6 1 + 7 2.644D-03 0.261 0.288 J7 1 + 8 9.312D-07 1.230 0.307 J8 1 + 11 4.642D-05 0.762 0.353 J11 1 + 12 6.853D-05 0.477 0.323 J12 1 + 13 7.344D-06 1.202 0.417 J13 1 + 14 2.879D-05 1.067 0.358 J14 1 + 15 2.792D-05 0.805 0.338 J15 1 + 16 1.675D-05 0.805 0.338 J16 1 + 17 7.914D-05 0.764 0.364 J17 1 + 18 1.140D-05 0.396 0.298 J18 1 + 19 1.140D-05 0.396 0.298 J19 1 + 21 7.992D-07 1.578 0.271 J21 1 + 22 5.804D-06 1.092 0.377 J22 1 + 23 1.836D-05 0.395 0.296 J23 1 + 24 1.836D-05 0.395 0.296 J24 1 + 31 6.845D-05 0.130 0.201 J31 1 + 32 1.032D-05 0.130 0.201 J32 1 + 33 3.802D-05 0.644 0.312 J33 1 + 34 1.537D-04 0.170 0.208 J34 1 + 35 3.326D-04 0.148 0.215 J35 1 + 41 7.649D-06 0.682 0.279 J41 1 + 51 1.588D-06 1.154 0.318 J51 1 + 52 1.907D-06 1.244 0.335 J52 1 + 53 2.485D-06 1.196 0.328 J53 1 + 54 4.095D-06 1.111 0.316 J54 1 + 55 1.135D-05 0.974 0.309 J55 1 + 56 7.549D-06 1.015 0.324 J56 1 + 57 3.363D-06 1.296 0.322 J57 1 + 61 7.537D-04 0.499 0.266 J61 1 diff --git a/travis/new_tests/test3/modelConfiguration/productionRatesOutput.config b/travis/new_tests/test3/modelConfiguration/productionRatesOutput.config new file mode 100644 index 000000000..e69de29bb diff --git a/travis/new_tests/test3/modelConfiguration/solver.parameters b/travis/new_tests/test3/modelConfiguration/solver.parameters new file mode 100644 index 000000000..e1ce01a54 --- /dev/null +++ b/travis/new_tests/test3/modelConfiguration/solver.parameters @@ -0,0 +1,9 @@ +1.0e-03 atol +1.0e-04 rtol +1.0e-04 delta main +100 lookback +100 maximum solver step size (seconds) +100000 maximum number of steps in solver +2 solver type (1 = spgmr, 2 = spgmr + banded preconditioner, 3 = dense) +750 banded preconditioner upper bandwidth +750 banded preconditioner lower bandwidth diff --git a/travis/new_tests/test3/modelOutput/concentration.output b/travis/new_tests/test3/modelOutput/concentration.output new file mode 100644 index 000000000..a291bb1c5 --- /dev/null +++ b/travis/new_tests/test3/modelOutput/concentration.output @@ -0,0 +1,18 @@ + t O3 O1D + 3.6000000E+04 2.3000000E+12 0.0000000E+00 + 3.6900000E+04 2.2599869E+12 4.0013129E+10 + 3.7800000E+04 2.2246737E+12 7.5326302E+10 + 3.8700000E+04 2.1781100E+12 1.2188998E+11 + 3.9600000E+04 2.1229471E+12 1.7705289E+11 + 4.0500000E+04 2.0841459E+12 2.1585408E+11 + 4.1400000E+04 2.0497095E+12 2.5029054E+11 + 4.2300000E+04 1.9996119E+12 3.0038811E+11 + 4.3200000E+04 1.9393679E+12 3.6063214E+11 + 4.4100000E+04 1.8843045E+12 4.1569552E+11 + 4.5000000E+04 1.8473413E+12 4.5265873E+11 + 4.5900000E+04 1.8233907E+12 4.7660929E+11 + 4.6800000E+04 1.8005564E+12 4.9944357E+11 + 4.7700000E+04 1.7708200E+12 5.2917997E+11 + 4.8600000E+04 1.7260067E+12 5.7399334E+11 + 4.9500000E+04 1.6732300E+12 6.2676998E+11 + 5.0400000E+04 1.6264492E+12 6.7355082E+11 diff --git a/travis/new_tests/test3/modelOutput/envVar.output b/travis/new_tests/test3/modelOutput/envVar.output new file mode 100644 index 000000000..177242a5f --- /dev/null +++ b/travis/new_tests/test3/modelOutput/envVar.output @@ -0,0 +1,17 @@ + t M TEMP PRESS RH H2O DEC BLHEIGHT DILUTE JFAC ROOFOPEN RO2 + 3.6900000E+04 2.4627320E+19 2.9800000E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 3.7800000E+04 2.4627320E+19 2.9800000E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 3.8700000E+04 2.4627320E+19 2.9800000E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 3.9600000E+04 2.4627320E+19 2.9800000E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.0500000E+04 2.4627320E+19 2.9800000E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.1400000E+04 2.4627320E+19 2.9800000E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.2300000E+04 2.4627320E+19 2.9800000E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.3200000E+04 2.4627320E+19 2.9800000E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.4100000E+04 2.4627320E+19 2.9800000E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.5000000E+04 2.4627320E+19 2.9800000E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.5900000E+04 2.4627320E+19 2.9800000E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.6800000E+04 2.4627320E+19 2.9800000E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.7700000E+04 2.4627320E+19 2.9800000E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.8600000E+04 2.4627320E+19 2.9800000E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.9500000E+04 2.4627320E+19 2.9800000E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 5.0400000E+04 2.4627320E+19 2.9800000E+02 1.0132500E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 diff --git a/travis/new_tests/test3/modelOutput/errors.output b/travis/new_tests/test3/modelOutput/errors.output new file mode 100644 index 000000000..5dfb20c54 --- /dev/null +++ b/travis/new_tests/test3/modelOutput/errors.output @@ -0,0 +1,2 @@ +Number of fixed constrained species: 0 +Total number of constrained species: 0 diff --git a/travis/new_tests/test3/modelOutput/finalModelState.output b/travis/new_tests/test3/modelOutput/finalModelState.output new file mode 100644 index 000000000..57249f06e --- /dev/null +++ b/travis/new_tests/test3/modelOutput/finalModelState.output @@ -0,0 +1,2 @@ + O3 1626449181344.0212 + O1D 673550818655.97729 diff --git a/travis/new_tests/test3/modelOutput/initialConditionsSetting.output b/travis/new_tests/test3/modelOutput/initialConditionsSetting.output new file mode 100644 index 000000000..723d0604c --- /dev/null +++ b/travis/new_tests/test3/modelOutput/initialConditionsSetting.output @@ -0,0 +1 @@ +match, m = k = O3 concentration = 2.300E+12 diff --git a/travis/new_tests/test3/modelOutput/jacobian.output b/travis/new_tests/test3/modelOutput/jacobian.output new file mode 100644 index 000000000..e69de29bb diff --git a/travis/new_tests/test3/modelOutput/lossRates.output b/travis/new_tests/test3/modelOutput/lossRates.output new file mode 100644 index 000000000..82712a2dc --- /dev/null +++ b/travis/new_tests/test3/modelOutput/lossRates.output @@ -0,0 +1 @@ + time speciesNumber speciesName reactionNumber rate diff --git a/travis/new_tests/test3/modelOutput/mainSolverParameters.output b/travis/new_tests/test3/modelOutput/mainSolverParameters.output new file mode 100644 index 000000000..2ccefae92 --- /dev/null +++ b/travis/new_tests/test3/modelOutput/mainSolverParameters.output @@ -0,0 +1,17 @@ + t currentStepSize previousStepSize LENRW LENIW NST NFE NETF NCFN NNI NSETUPS QU QCUR NOR LENRWLS LENIWLS LS_FLAG NFELS NJTV NPE NPS NLI NCFL + 3.69E+04 1.000000000E+02 1.000000000E+02 109 50 22 24 0 0 23 13 4 4 0 10611 105 0 19 19 1 38 19 0 + 3.78E+04 3.273860535E+01 3.273860535E+01 109 50 31 37 1 0 36 15 2 2 0 10611 105 0 29 29 1 58 29 0 + 3.87E+04 5.648340635E+01 5.648340635E+01 109 50 43 52 2 0 51 18 3 3 0 10611 105 0 42 42 1 84 42 0 + 3.96E+04 5.289908304E+01 5.289908304E+01 109 50 54 66 3 0 65 20 2 2 0 10611 105 0 54 54 2 108 54 0 + 4.05E+04 4.169637425E+01 4.169637425E+01 109 50 65 80 4 0 79 22 2 2 0 10611 105 0 66 66 2 132 66 0 + 4.14E+04 1.000000000E+02 1.000000000E+02 109 50 76 91 4 0 90 23 3 3 0 10611 105 0 77 77 2 154 77 0 + 4.23E+04 1.000000000E+02 1.000000000E+02 109 50 85 100 4 0 99 23 3 3 0 10611 105 0 86 86 2 172 86 0 + 4.32E+04 1.000000000E+02 1.000000000E+02 109 50 94 110 4 0 109 24 3 3 0 10611 105 0 95 95 2 190 95 0 + 4.41E+04 1.000000000E+02 1.000000000E+02 109 50 103 119 4 0 118 24 3 3 0 10611 105 0 104 104 2 208 104 0 + 4.50E+04 1.000000000E+02 1.000000000E+02 109 50 112 128 4 0 127 25 3 3 0 10611 105 0 113 113 3 226 113 0 + 4.59E+04 1.000000000E+02 1.000000000E+02 109 50 121 137 4 0 136 25 3 3 0 10611 105 0 122 122 3 244 122 0 + 4.68E+04 1.000000000E+02 1.000000000E+02 109 50 130 146 4 0 145 26 3 3 0 10611 105 0 131 131 3 262 131 0 + 4.77E+04 1.000000000E+02 1.000000000E+02 109 50 139 155 4 0 154 26 3 3 0 10611 105 0 140 140 3 280 140 0 + 4.86E+04 1.000000000E+02 1.000000000E+02 109 50 148 165 4 0 164 26 3 3 0 10611 105 0 149 149 3 298 149 0 + 4.95E+04 1.000000000E+02 1.000000000E+02 109 50 157 175 4 0 174 27 3 3 0 10611 105 0 158 158 3 316 158 0 + 5.04E+04 1.000000000E+02 1.000000000E+02 109 50 166 184 4 0 183 27 3 3 0 10611 105 0 167 167 3 334 167 0 diff --git a/travis/new_tests/test3/modelOutput/photoRateCalcParameters.output b/travis/new_tests/test3/modelOutput/photoRateCalcParameters.output new file mode 100644 index 000000000..baecaaba7 --- /dev/null +++ b/travis/new_tests/test3/modelOutput/photoRateCalcParameters.output @@ -0,0 +1,17 @@ + t latitude longitude secx cosx lha sinld cosld theta eqtime + 3.6000000E+04 5.1510000E+01 1.3000000E-01 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 + 3.6900000E+04 5.1510000E+01 1.3000000E-01 1.2143791E+00 8.2346609E-01 -4.5998098E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 3.7800000E+04 5.1510000E+01 1.3000000E-01 1.1935107E+00 8.3786429E-01 -3.9942252E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 3.8700000E+04 5.1510000E+01 1.3000000E-01 1.1743023E+00 8.5156948E-01 -3.3229434E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 3.9600000E+04 5.1510000E+01 1.3000000E-01 1.1596085E+00 8.6235999E-01 -2.6838383E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.0500000E+04 5.1510000E+01 1.3000000E-01 1.1479945E+00 8.7108433E-01 -2.0290535E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.1400000E+04 5.1510000E+01 1.3000000E-01 1.1396590E+00 8.7745546E-01 -1.3687616E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.2300000E+04 5.1510000E+01 1.3000000E-01 1.1346376E+00 8.8133867E-01 -7.1426316E-02 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.3200000E+04 5.1510000E+01 1.3000000E-01 1.1327801E+00 8.8278388E-01 -5.9764694E-03 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.4100000E+04 5.1510000E+01 1.3000000E-01 1.1340634E+00 8.8178489E-01 5.9473378E-02 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.5000000E+04 5.1510000E+01 1.3000000E-01 1.1385035E+00 8.7834599E-01 1.2492322E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.5900000E+04 5.1510000E+01 1.3000000E-01 1.1461556E+00 8.7248191E-01 1.9037307E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.6800000E+04 5.1510000E+01 1.3000000E-01 1.1571158E+00 8.6421774E-01 2.5582292E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.7700000E+04 5.1510000E+01 1.3000000E-01 1.1715241E+00 8.5358889E-01 3.2127277E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.8600000E+04 5.1510000E+01 1.3000000E-01 1.1895686E+00 8.4064086E-01 3.8672261E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.9500000E+04 5.1510000E+01 1.3000000E-01 1.2114911E+00 8.2542911E-01 4.5217246E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 diff --git a/travis/new_tests/test3/modelOutput/photolysisRates.output b/travis/new_tests/test3/modelOutput/photolysisRates.output new file mode 100644 index 000000000..077f8a1ab --- /dev/null +++ b/travis/new_tests/test3/modelOutput/photolysisRates.output @@ -0,0 +1,17 @@ + t J1 J2 J3 J4 J5 J6 J7 J8 J11 J12 J13 J14 J15 J16 J17 J18 J19 J21 J22 J23 J24 J31 J32 J33 J34 J35 J41 J51 J52 J53 J54 J55 J56 J57 J61 + 3.6900000E+04 1.7890162E-05 4.0892527E-04 6.4464186E-06 8.0339325E-03 2.1095794E-02 1.4564421E-01 1.7715537E-03 5.0509838E-07 2.6076880E-05 4.2198221E-05 3.5044010E-06 1.5150505E-05 1.5839798E-05 9.5027443E-06 4.3850692E-05 7.3508221E-06 7.3508221E-06 4.2327198E-07 2.9701845E-06 1.1869786E-05 1.1869786E-05 5.2287800E-05 7.8832739E-06 2.2968876E-05 1.1551405E-04 2.4891279E-04 4.7745337E-06 8.6256742E-07 9.9709282E-07 1.3226718E-06 2.2484254E-06 6.4545916E-06 4.1820848E-06 1.7684041E-06 4.9524240E-04 + 3.7800000E+04 1.7456345E-05 4.1172982E-04 6.5658326E-06 8.1130626E-03 2.1205054E-02 1.4641748E-01 1.7903142E-03 5.1929927E-07 2.6618966E-05 4.2836338E-05 3.6094555E-06 1.5549055E-05 1.6176068E-05 9.7044819E-06 4.4774089E-05 7.4476244E-06 7.4476244E-06 4.3747650E-07 3.0508491E-06 1.2025388E-05 1.2025388E-05 5.2626038E-05 7.9342689E-06 2.3378433E-05 1.1635892E-04 2.5067435E-04 4.8595227E-06 8.8585442E-07 1.0259743E-06 1.3596533E-06 2.3073101E-06 6.6069569E-06 4.2851905E-06 1.8207740E-06 5.0232529E-04 + 3.8700000E+04 2.9817761E-05 4.1436162E-04 6.6790055E-06 8.1871263E-03 2.1307089E-02 1.4713903E-01 1.8078854E-03 5.3290012E-07 2.7133468E-05 4.3437815E-05 3.7101385E-06 1.5929751E-05 1.6495480E-05 9.8961061E-06 4.5650626E-05 7.5386588E-06 7.5386588E-06 4.5116424E-07 3.1279541E-06 1.2171712E-05 1.2171712E-05 5.2941162E-05 7.9817793E-06 2.3765996E-05 1.1714742E-04 2.5231689E-04 4.9399973E-06 9.0812723E-07 1.0536511E-06 1.3950569E-06 2.3635818E-06 6.7521547E-06 4.3835410E-06 1.8710024E-06 5.0900283E-04 + 3.9600000E+04 2.6516046E-05 4.1640856E-04 6.7677757E-06 8.2446012E-03 2.1386121E-02 1.4769752E-01 1.8215288E-03 5.4366477E-07 2.7537529E-05 4.3907393E-05 3.7898702E-06 1.6230371E-05 1.6746499E-05 1.0046700E-05 4.6339092E-05 7.6095905E-06 7.6095905E-06 4.6205465E-07 3.1888771E-06 1.2285721E-05 1.2285721E-05 5.3184740E-05 8.0185028E-06 2.4069594E-05 1.1775781E-04 2.5358740E-04 5.0030709E-06 9.2573495E-07 1.0755669E-06 1.4230670E-06 2.4080344E-06 6.8665815E-06 4.4611128E-06 1.9108050E-06 5.1421702E-04 + 4.0500000E+04 1.4338982E-05 4.1804776E-04 6.8393350E-06 8.2905444E-03 2.1449205E-02 1.4814305E-01 1.8324396E-03 5.5240391E-07 2.7863561E-05 4.4284535E-05 3.8546266E-06 1.6473985E-05 1.6949153E-05 1.0168278E-05 4.6894662E-05 7.6664715E-06 7.6664715E-06 4.7093247E-07 3.2382706E-06 1.2377144E-05 1.2377144E-05 5.3378846E-05 8.0477675E-06 2.4314076E-05 1.1824479E-04 2.5460041E-04 5.0538848E-06 9.4001645E-07 1.0933656E-06 1.4457999E-06 2.4440687E-06 6.9591643E-06 4.5239168E-06 1.9431490E-06 5.1840545E-04 + 4.1400000E+04 2.3418647E-05 4.1923607E-04 6.8914733E-06 8.3238038E-03 2.1494823E-02 1.4846509E-01 1.8403409E-03 5.5880579E-07 2.8101283E-05 4.4558547E-05 3.9020790E-06 1.6652199E-05 1.7096976E-05 1.0256961E-05 4.7299775E-05 7.7077496E-06 7.7077496E-06 4.7745655E-07 3.2744167E-06 1.2443487E-05 1.2443487E-05 5.3519031E-05 8.0689029E-06 2.4492065E-05 1.1859682E-04 2.5533234E-04 5.0908908E-06 9.5047107E-07 1.1064078E-06 1.4624491E-06 2.4704355E-06 7.0268111E-06 4.5698280E-06 1.9668600E-06 5.2144891E-04 + 4.2300000E+04 3.2186065E-05 4.1995677E-04 6.9232026E-06 8.3439564E-03 2.1522443E-02 1.4866002E-01 1.8451296E-03 5.6271594E-07 2.8246021E-05 4.4724981E-05 3.9310681E-06 1.6760946E-05 1.7187005E-05 1.0310972E-05 4.7546443E-05 7.7328020E-06 7.7328020E-06 4.8144983E-07 3.2964786E-06 1.2483751E-05 1.2483751E-05 5.3603838E-05 8.0816889E-06 2.4600324E-05 1.1880990E-04 2.5577525E-04 5.1134041E-06 9.5685352E-07 1.1143753E-06 1.4726166E-06 2.4865275E-06 7.0680566E-06 4.5978303E-06 1.9813493E-06 5.2329767E-04 + 4.3200000E+04 3.5627869E-05 4.2022431E-04 6.9350018E-06 8.3514337E-03 2.1532687E-02 1.4873231E-01 1.8469066E-03 5.6417275E-07 2.8299858E-05 4.4786812E-05 3.9418697E-06 1.6801443E-05 1.7220497E-05 1.0331064E-05 4.7638196E-05 7.7421052E-06 7.7421052E-06 4.8293926E-07 3.3046953E-06 1.2498703E-05 1.2498703E-05 5.3635278E-05 8.0864290E-06 2.4640572E-05 1.1888893E-04 2.5593947E-04 5.1217748E-06 9.5923086E-07 1.1173440E-06 1.4764044E-06 2.4925205E-06 7.0834096E-06 4.6082555E-06 1.9867490E-06 5.2398452E-04 + 4.4100000E+04 2.7441804E-05 4.2003942E-04 6.9268463E-06 8.3462664E-03 2.1525608E-02 1.4868235E-01 1.8456786E-03 5.6316566E-07 2.8262645E-05 4.4744079E-05 3.9344025E-06 1.6773448E-05 1.7197346E-05 1.0317176E-05 4.7574776E-05 7.7356756E-06 7.7356756E-06 4.8190952E-07 3.2990153E-06 1.2488370E-05 1.2488370E-05 5.3613552E-05 8.0831535E-06 2.4612754E-05 1.1883432E-04 2.5582599E-04 5.1159891E-06 9.5758744E-07 1.1152917E-06 1.4737859E-06 2.4883776E-06 7.0727968E-06 4.6010489E-06 1.9830161E-06 5.2350981E-04 + 4.5000000E+04 1.5860451E-05 4.1940159E-04 6.8987531E-06 8.3284333E-03 2.1501169E-02 1.4850988E-01 1.8414409E-03 5.5970196E-07 2.8134486E-05 4.4596753E-05 3.9087226E-06 1.6677129E-05 1.7117627E-05 1.0269350E-05 4.7356360E-05 7.7135019E-06 7.7135019E-06 4.7837120E-07 3.2794741E-06 1.2452732E-05 1.2452732E-05 5.3538522E-05 8.0718415E-06 2.4516907E-05 1.1864578E-04 2.5543412E-04 5.0960566E-06 9.5193406E-07 1.1082338E-06 1.4647795E-06 2.4741245E-06 7.0362689E-06 4.5762485E-06 1.9701803E-06 5.2187330E-04 + 4.5900000E+04 1.3093033E-05 4.1830906E-04 6.8507807E-06 8.2978611E-03 2.1459244E-02 1.4821393E-01 1.8341776E-03 5.5380680E-07 2.7915735E-05 4.4344744E-05 3.8650241E-06 1.6513056E-05 1.6981592E-05 1.0187739E-05 4.6983572E-05 7.6755450E-06 7.6755450E-06 4.7236065E-07 3.2461942E-06 1.2391727E-05 1.2391727E-05 5.3409709E-05 8.0524207E-06 2.4353159E-05 1.1832227E-04 2.5476153E-04 5.0620098E-06 9.4230797E-07 1.0962234E-06 1.4494487E-06 2.4498488E-06 6.9740008E-06 4.5339845E-06 1.9483437E-06 5.1907416E-04 + 4.6800000E+04 1.5325614E-05 4.1675878E-04 6.7830293E-06 8.2544233E-03 2.1399615E-02 1.4779283E-01 1.8238610E-03 5.4552301E-07 2.7607003E-05 4.3987889E-05 3.8036376E-06 1.6282205E-05 1.6789674E-05 1.0072602E-05 4.6457475E-05 7.6217375E-06 7.6217375E-06 4.6393965E-07 3.1993848E-06 1.2305245E-05 1.2305245E-05 5.3226283E-05 8.0247661E-06 2.4121727E-05 1.1786199E-04 2.5380416E-04 5.0139047E-06 9.2877266E-07 1.0793510E-06 1.4279013E-06 2.4157005E-06 6.8862911E-06 4.4744798E-06 1.9176801E-06 5.1511093E-04 + 4.7700000E+04 2.2604712E-05 4.1474636E-04 6.6956409E-06 8.1979381E-03 2.1321966E-02 1.4724419E-01 1.8104514E-03 5.3491095E-07 2.7209155E-05 4.3525960E-05 3.7250295E-06 1.5985953E-05 1.6542488E-05 9.9243079E-06 4.5779581E-05 7.5519827E-06 7.5519827E-06 4.5319476E-07 3.1393414E-06 1.2193128E-05 1.2193128E-05 5.2987046E-05 7.9886971E-06 2.3822917E-05 1.1726234E-04 2.5255616E-04 4.9518204E-06 9.1141771E-07 1.0577443E-06 1.4002898E-06 2.3718911E-06 6.7735623E-06 4.3980493E-06 1.8784343E-06 5.0998152E-04 + 4.8600000E+04 3.4953484E-05 4.1226594E-04 6.5887993E-06 8.1281652E-03 2.1225878E-02 1.4656479E-01 1.7938963E-03 5.2204818E-07 2.6723318E-05 4.2958655E-05 3.6297997E-06 1.5626078E-05 1.6240831E-05 9.7433355E-06 4.4951859E-05 7.4661537E-06 7.4661537E-06 4.4023643E-07 3.0664449E-06 1.2055171E-05 1.2055171E-05 5.2690410E-05 7.9439741E-06 2.3457130E-05 1.1651989E-04 2.5100977E-04 4.8758594E-06 8.9035842E-07 1.0315669E-06 1.3668101E-06 2.3186931E-06 6.6363602E-06 4.3050996E-06 1.8309203E-06 5.0368314E-04 + 4.9500000E+04 3.3767418E-05 4.0931008E-04 6.4627308E-06 8.0448022E-03 2.1110818E-02 1.4575058E-01 1.7741300E-03 5.0702914E-07 2.6150882E-05 4.2285601E-05 3.5186799E-06 1.5204757E-05 1.5885687E-05 9.5302743E-06 4.3976739E-05 7.3640913E-06 7.3640913E-06 4.2519796E-07 2.9811613E-06 1.1891116E-05 1.1891116E-05 5.2334358E-05 7.8902933E-06 2.3024860E-05 1.1563026E-04 2.4915518E-04 4.7861480E-06 8.6573546E-07 1.0010186E-06 1.3277008E-06 2.2564394E-06 6.4753538E-06 4.1961285E-06 1.7755198E-06 4.9621221E-04 + 5.0400000E+04 2.8965113E-05 4.0586959E-04 6.3177047E-06 7.9474794E-03 2.0976126E-02 1.4479653E-01 1.7510720E-03 4.8996468E-07 2.5493508E-05 4.1506346E-05 3.3925308E-06 1.4724558E-05 1.5478227E-05 9.2858273E-06 4.2857127E-05 7.2456024E-06 7.2456024E-06 4.0823407E-07 2.8840408E-06 1.1700647E-05 1.1700647E-05 5.1916406E-05 7.8272799E-06 2.2526699E-05 1.1458810E-04 2.4698028E-04 4.6828363E-06 8.3771441E-07 9.6633329E-07 1.2832426E-06 2.1855223E-06 6.2913351E-06 4.0717251E-06 1.7126802E-06 4.8756436E-04 diff --git a/travis/new_tests/test3/modelOutput/productionRates.output b/travis/new_tests/test3/modelOutput/productionRates.output new file mode 100644 index 000000000..82712a2dc --- /dev/null +++ b/travis/new_tests/test3/modelOutput/productionRates.output @@ -0,0 +1 @@ + time speciesNumber speciesName reactionNumber rate diff --git a/travis/new_tests/test4/environmentConstraints/PRESS b/travis/new_tests/test4/environmentConstraints/PRESS new file mode 100644 index 000000000..9344b3529 --- /dev/null +++ b/travis/new_tests/test4/environmentConstraints/PRESS @@ -0,0 +1,18 @@ +36000 1015 +36900 1016 +37800 1020 +38700 1011 +39600 1007 +40500 1002 +41400 998 +42300 992 +43200 1022 +44100 1028 +45000 987 +45900 994 +46800 1003 +47700 1019 +48600 1024 +49500 1017 +50400 1000 +54000 1013 diff --git a/travis/new_tests/test4/environmentConstraints/TEMP b/travis/new_tests/test4/environmentConstraints/TEMP new file mode 100644 index 000000000..885c1e0c0 --- /dev/null +++ b/travis/new_tests/test4/environmentConstraints/TEMP @@ -0,0 +1,18 @@ +36000 289 +36900 295 +37800 302 +38700 286 +39600 301 +40500 307 +41400 297 +42300 292 +43200 283 +44100 278 +45000 298 +45900 296 +46800 284 +47700 281 +48600 305 +49500 306 +50400 310 +54000 308 diff --git a/travis/new_tests/test4/instantaneousRates/37800 b/travis/new_tests/test4/instantaneousRates/37800 new file mode 100644 index 000000000..489397c0a --- /dev/null +++ b/travis/new_tests/test4/instantaneousRates/37800 @@ -0,0 +1 @@ + 2444259.2779195164 diff --git a/travis/new_tests/test4/instantaneousRates/39600 b/travis/new_tests/test4/instantaneousRates/39600 new file mode 100644 index 000000000..e185678a5 --- /dev/null +++ b/travis/new_tests/test4/instantaneousRates/39600 @@ -0,0 +1 @@ + 2414358.5135094728 diff --git a/travis/new_tests/test4/instantaneousRates/41400 b/travis/new_tests/test4/instantaneousRates/41400 new file mode 100644 index 000000000..5e5f88e9d --- /dev/null +++ b/travis/new_tests/test4/instantaneousRates/41400 @@ -0,0 +1 @@ + 2480896.9849450830 diff --git a/travis/new_tests/test4/instantaneousRates/43200 b/travis/new_tests/test4/instantaneousRates/43200 new file mode 100644 index 000000000..e9da49be1 --- /dev/null +++ b/travis/new_tests/test4/instantaneousRates/43200 @@ -0,0 +1 @@ + 2902337.1585914553 diff --git a/travis/new_tests/test4/instantaneousRates/45000 b/travis/new_tests/test4/instantaneousRates/45000 new file mode 100644 index 000000000..b441083fe --- /dev/null +++ b/travis/new_tests/test4/instantaneousRates/45000 @@ -0,0 +1 @@ + 2410564.9225044865 diff --git a/travis/new_tests/test4/instantaneousRates/46800 b/travis/new_tests/test4/instantaneousRates/46800 new file mode 100644 index 000000000..e05deb5d1 --- /dev/null +++ b/travis/new_tests/test4/instantaneousRates/46800 @@ -0,0 +1 @@ + 2797018.1045849524 diff --git a/travis/new_tests/test4/instantaneousRates/48600 b/travis/new_tests/test4/instantaneousRates/48600 new file mode 100644 index 000000000..ff645d3ed --- /dev/null +++ b/travis/new_tests/test4/instantaneousRates/48600 @@ -0,0 +1 @@ + 2325504.3251937428 diff --git a/travis/new_tests/test4/instantaneousRates/50400 b/travis/new_tests/test4/instantaneousRates/50400 new file mode 100644 index 000000000..0145d0f92 --- /dev/null +++ b/travis/new_tests/test4/instantaneousRates/50400 @@ -0,0 +1 @@ + 2166694.1499781567 diff --git a/travis/new_tests/test4/mechanism.fac b/travis/new_tests/test4/mechanism.fac new file mode 100644 index 000000000..54ff72492 --- /dev/null +++ b/travis/new_tests/test4/mechanism.fac @@ -0,0 +1,13 @@ +* Generic Rate Coefficients ; + +* Complex reactions ; + +* Peroxy radicals. ; + +RO2 = ; + +* Reaction definitions. ; +*; +* pressure and temperature dependence ; +* second-order reaction ; +% 3.3D-39*EXP(530/TEMP)*O2 : NO + NO = NO2 + NO2 ; diff --git a/travis/new_tests/test4/modelConfiguration/concentrationOutput.config b/travis/new_tests/test4/modelConfiguration/concentrationOutput.config new file mode 100644 index 000000000..2809729ea --- /dev/null +++ b/travis/new_tests/test4/modelConfiguration/concentrationOutput.config @@ -0,0 +1,2 @@ +NO +NO2 diff --git a/travis/new_tests/test4/modelConfiguration/constrainedFixedSpecies.config b/travis/new_tests/test4/modelConfiguration/constrainedFixedSpecies.config new file mode 100644 index 000000000..e69de29bb diff --git a/travis/new_tests/test4/modelConfiguration/constrainedPhotoRates.config b/travis/new_tests/test4/modelConfiguration/constrainedPhotoRates.config new file mode 100644 index 000000000..e69de29bb diff --git a/travis/new_tests/test4/modelConfiguration/constrainedSpecies.config b/travis/new_tests/test4/modelConfiguration/constrainedSpecies.config new file mode 100644 index 000000000..e69de29bb diff --git a/travis/new_tests/test4/modelConfiguration/environmentVariables.config b/travis/new_tests/test4/modelConfiguration/environmentVariables.config new file mode 100644 index 000000000..605f39afc --- /dev/null +++ b/travis/new_tests/test4/modelConfiguration/environmentVariables.config @@ -0,0 +1,9 @@ +1 TEMP CONSTRAINED +2 PRESS CONSTRAINED +3 RH NOTUSED +5 H2O 3.91e+17 +5 DEC 0.41 +6 BLHEIGHT NOTUSED +7 DILUTE NOTUSED +8 JFAC NOTUSED +9 ROOFOPEN ON diff --git a/travis/new_tests/test4/modelConfiguration/initialConcentrations.config b/travis/new_tests/test4/modelConfiguration/initialConcentrations.config new file mode 100644 index 000000000..5681ddf15 --- /dev/null +++ b/travis/new_tests/test4/modelConfiguration/initialConcentrations.config @@ -0,0 +1 @@ +NO 5.0e12 diff --git a/travis/new_tests/test4/modelConfiguration/lossRatesOutput.config b/travis/new_tests/test4/modelConfiguration/lossRatesOutput.config new file mode 100644 index 000000000..e69de29bb diff --git a/travis/new_tests/test4/modelConfiguration/model.parameters b/travis/new_tests/test4/modelConfiguration/model.parameters new file mode 100644 index 000000000..a4019899d --- /dev/null +++ b/travis/new_tests/test4/modelConfiguration/model.parameters @@ -0,0 +1,13 @@ +16 number of steps +900 step size (seconds) +2 species interpolation method (pw constant = 1, pw linear = 2) +2 conditions interpolation method (pw constant = 1, pw linear = 2) +1800 rates output step size (seconds) +36000 model start time (seconds) +0 jacobian output step size (seconds) +51.51 latitude (degrees) +0.13 longitude (degrees) +21 day +06 month +2010 year +1800 instantaneous rates output step size (seconds) diff --git a/travis/new_tests/test4/modelConfiguration/photolysisRates.config b/travis/new_tests/test4/modelConfiguration/photolysisRates.config new file mode 100644 index 000000000..ab1051fa2 --- /dev/null +++ b/travis/new_tests/test4/modelConfiguration/photolysisRates.config @@ -0,0 +1,36 @@ + J L M N name transmissionFactor + 1 6.073D-05 1.743 0.474 J1 1 + 2 4.775D-04 0.298 0.080 J2 1 + 3 1.041D-05 0.723 0.279 J3 1 + 4 1.165D-02 0.244 0.267 J4 1 + 5 2.485D-02 0.168 0.108 J5 1 + 6 1.747D-01 0.155 0.125 J6 1 + 7 2.644D-03 0.261 0.288 J7 1 + 8 9.312D-07 1.230 0.307 J8 1 + 11 4.642D-05 0.762 0.353 J11 1 + 12 6.853D-05 0.477 0.323 J12 1 + 13 7.344D-06 1.202 0.417 J13 1 + 14 2.879D-05 1.067 0.358 J14 1 + 15 2.792D-05 0.805 0.338 J15 1 + 16 1.675D-05 0.805 0.338 J16 1 + 17 7.914D-05 0.764 0.364 J17 1 + 18 1.140D-05 0.396 0.298 J18 1 + 19 1.140D-05 0.396 0.298 J19 1 + 21 7.992D-07 1.578 0.271 J21 1 + 22 5.804D-06 1.092 0.377 J22 1 + 23 1.836D-05 0.395 0.296 J23 1 + 24 1.836D-05 0.395 0.296 J24 1 + 31 6.845D-05 0.130 0.201 J31 1 + 32 1.032D-05 0.130 0.201 J32 1 + 33 3.802D-05 0.644 0.312 J33 1 + 34 1.537D-04 0.170 0.208 J34 1 + 35 3.326D-04 0.148 0.215 J35 1 + 41 7.649D-06 0.682 0.279 J41 1 + 51 1.588D-06 1.154 0.318 J51 1 + 52 1.907D-06 1.244 0.335 J52 1 + 53 2.485D-06 1.196 0.328 J53 1 + 54 4.095D-06 1.111 0.316 J54 1 + 55 1.135D-05 0.974 0.309 J55 1 + 56 7.549D-06 1.015 0.324 J56 1 + 57 3.363D-06 1.296 0.322 J57 1 + 61 7.537D-04 0.499 0.266 J61 1 diff --git a/travis/new_tests/test4/modelConfiguration/productionRatesOutput.config b/travis/new_tests/test4/modelConfiguration/productionRatesOutput.config new file mode 100644 index 000000000..e69de29bb diff --git a/travis/new_tests/test4/modelConfiguration/solver.parameters b/travis/new_tests/test4/modelConfiguration/solver.parameters new file mode 100644 index 000000000..e1ce01a54 --- /dev/null +++ b/travis/new_tests/test4/modelConfiguration/solver.parameters @@ -0,0 +1,9 @@ +1.0e-03 atol +1.0e-04 rtol +1.0e-04 delta main +100 lookback +100 maximum solver step size (seconds) +100000 maximum number of steps in solver +2 solver type (1 = spgmr, 2 = spgmr + banded preconditioner, 3 = dense) +750 banded preconditioner upper bandwidth +750 banded preconditioner lower bandwidth diff --git a/travis/new_tests/test4/modelOutput/concentration.output b/travis/new_tests/test4/modelOutput/concentration.output new file mode 100644 index 000000000..761d84ab3 --- /dev/null +++ b/travis/new_tests/test4/modelOutput/concentration.output @@ -0,0 +1,18 @@ + t NO NO2 + 3.6000000E+04 5.0000000E+12 0.0000000E+00 + 3.6900000E+04 4.9951908E+12 4.8092132E+09 + 3.7800000E+04 4.9906648E+12 9.3351615E+09 + 3.8700000E+04 4.9859607E+12 1.4039258E+10 + 3.9600000E+04 4.9812701E+12 1.8729933E+10 + 4.0500000E+04 4.9770477E+12 2.2952342E+10 + 4.1400000E+04 4.9727741E+12 2.7225928E+10 + 4.2300000E+04 4.9682231E+12 3.1776910E+10 + 4.3200000E+04 4.9633011E+12 3.6698894E+10 + 4.4100000E+04 4.9579393E+12 4.2060719E+10 + 4.5000000E+04 4.9530444E+12 4.6955557E+10 + 4.5900000E+04 4.9486558E+12 5.1344169E+10 + 4.6800000E+04 4.9439299E+12 5.6070070E+10 + 4.7700000E+04 4.9387887E+12 6.1211285E+10 + 4.8600000E+04 4.9340972E+12 6.5902844E+10 + 4.9500000E+04 4.9299466E+12 7.0053376E+10 + 5.0400000E+04 4.9259402E+12 7.4059834E+10 diff --git a/travis/new_tests/test4/modelOutput/envVar.output b/travis/new_tests/test4/modelOutput/envVar.output new file mode 100644 index 000000000..bb2d69769 --- /dev/null +++ b/travis/new_tests/test4/modelOutput/envVar.output @@ -0,0 +1,17 @@ + t M TEMP PRESS RH H2O DEC BLHEIGHT DILUTE JFAC ROOFOPEN RO2 + 3.6900000E+04 2.4933131E+19 2.9517245E+02 1.0160985E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 3.7800000E+04 2.4489664E+19 3.0160583E+02 1.0197783E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 3.8700000E+04 2.5568121E+19 2.8636954E+02 1.0109015E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 3.9600000E+04 2.4216615E+19 3.0114781E+02 1.0068768E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.0500000E+04 2.3656587E+19 3.0675364E+02 1.0019015E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.1400000E+04 2.4344829E+19 2.9687682E+02 9.9785219E+02 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.2300000E+04 2.4643306E+19 2.9177828E+02 9.9273907E+02 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.3200000E+04 2.6171773E+19 2.8287682E+02 1.0221478E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.4100000E+04 2.6709709E+19 2.7849272E+02 1.0269899E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.5000000E+04 2.3997466E+19 2.9795073E+02 9.8717245E+02 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.5900000E+04 2.4352430E+19 2.9570437E+02 9.9422172E+02 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.6800000E+04 2.5596647E+19 2.8392609E+02 1.0033942E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.7700000E+04 2.6213458E+19 2.8159126E+02 1.0191232E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.8600000E+04 2.4311329E+19 3.0502464E+02 1.0238275E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.9500000E+04 2.4054571E+19 3.0609854E+02 1.0165812E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 5.0400000E+04 2.3367225E+19 3.0998768E+02 1.0000801E+03 -1.0000000E+00 3.9100000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 diff --git a/travis/new_tests/test4/modelOutput/errors.output b/travis/new_tests/test4/modelOutput/errors.output new file mode 100644 index 000000000..5dfb20c54 --- /dev/null +++ b/travis/new_tests/test4/modelOutput/errors.output @@ -0,0 +1,2 @@ +Number of fixed constrained species: 0 +Total number of constrained species: 0 diff --git a/travis/new_tests/test4/modelOutput/finalModelState.output b/travis/new_tests/test4/modelOutput/finalModelState.output new file mode 100644 index 000000000..cb35fce2c --- /dev/null +++ b/travis/new_tests/test4/modelOutput/finalModelState.output @@ -0,0 +1,2 @@ + NO 4925940165543.8701 + NO2 74059834456.124603 diff --git a/travis/new_tests/test4/modelOutput/initialConditionsSetting.output b/travis/new_tests/test4/modelOutput/initialConditionsSetting.output new file mode 100644 index 000000000..8810d8907 --- /dev/null +++ b/travis/new_tests/test4/modelOutput/initialConditionsSetting.output @@ -0,0 +1 @@ +match, m = k = NO concentration = 5.000E+12 diff --git a/travis/new_tests/test4/modelOutput/jacobian.output b/travis/new_tests/test4/modelOutput/jacobian.output new file mode 100644 index 000000000..e69de29bb diff --git a/travis/new_tests/test4/modelOutput/lossRates.output b/travis/new_tests/test4/modelOutput/lossRates.output new file mode 100644 index 000000000..82712a2dc --- /dev/null +++ b/travis/new_tests/test4/modelOutput/lossRates.output @@ -0,0 +1 @@ + time speciesNumber speciesName reactionNumber rate diff --git a/travis/new_tests/test4/modelOutput/mainSolverParameters.output b/travis/new_tests/test4/modelOutput/mainSolverParameters.output new file mode 100644 index 000000000..a18285cff --- /dev/null +++ b/travis/new_tests/test4/modelOutput/mainSolverParameters.output @@ -0,0 +1,17 @@ + t currentStepSize previousStepSize LENRW LENIW NST NFE NETF NCFN NNI NSETUPS QU QCUR NOR LENRWLS LENIWLS LS_FLAG NFELS NJTV NPE NPS NLI NCFL + 3.69E+04 1.000000000E+02 1.000000000E+02 109 50 20 22 0 0 21 12 3 3 0 10611 105 0 18 18 1 36 18 0 + 3.78E+04 1.000000000E+02 1.000000000E+02 109 50 29 31 0 0 30 12 3 3 0 10611 105 0 27 27 1 54 27 0 + 3.87E+04 1.000000000E+02 1.000000000E+02 109 50 38 42 0 0 41 13 3 3 0 10611 105 0 36 36 1 72 36 0 + 3.96E+04 1.000000000E+02 1.000000000E+02 109 50 47 52 0 0 51 13 3 3 0 10611 105 0 45 45 1 90 45 0 + 4.05E+04 1.000000000E+02 1.000000000E+02 109 50 56 61 0 0 60 14 3 3 0 10611 105 0 54 54 2 108 54 0 + 4.14E+04 1.000000000E+02 1.000000000E+02 109 50 65 71 0 0 70 14 3 3 0 10611 105 0 63 63 2 126 63 0 + 4.23E+04 1.000000000E+02 1.000000000E+02 109 50 74 80 0 0 79 15 3 3 0 10611 105 0 72 72 2 144 72 0 + 4.32E+04 1.000000000E+02 1.000000000E+02 109 50 83 89 0 0 88 15 3 3 0 10611 105 0 81 81 2 162 81 0 + 4.41E+04 1.000000000E+02 1.000000000E+02 109 50 92 98 0 0 97 16 3 3 0 10611 105 0 90 90 2 180 90 0 + 4.50E+04 1.000000000E+02 1.000000000E+02 109 50 101 108 0 0 107 16 3 3 0 10611 105 0 99 99 2 198 99 0 + 4.59E+04 1.000000000E+02 1.000000000E+02 109 50 110 117 0 0 116 16 3 3 0 10611 105 0 108 108 2 216 108 0 + 4.68E+04 1.000000000E+02 1.000000000E+02 109 50 119 126 0 0 125 17 4 4 0 10611 105 0 117 117 3 234 117 0 + 4.77E+04 1.000000000E+02 1.000000000E+02 109 50 128 135 0 0 134 17 4 3 0 10611 105 0 126 126 3 252 126 0 + 4.86E+04 1.000000000E+02 1.000000000E+02 109 50 137 144 0 0 143 18 4 4 0 10611 105 0 135 135 3 270 135 0 + 4.95E+04 1.000000000E+02 1.000000000E+02 109 50 146 153 0 0 152 18 4 5 0 10611 105 0 144 144 3 288 144 0 + 5.04E+04 1.000000000E+02 1.000000000E+02 109 50 155 162 0 0 161 19 4 4 0 10611 105 0 153 153 3 306 153 0 diff --git a/travis/new_tests/test4/modelOutput/photoRateCalcParameters.output b/travis/new_tests/test4/modelOutput/photoRateCalcParameters.output new file mode 100644 index 000000000..a8a13043b --- /dev/null +++ b/travis/new_tests/test4/modelOutput/photoRateCalcParameters.output @@ -0,0 +1,17 @@ + t latitude longitude secx cosx lha sinld cosld theta eqtime + 3.6000000E+04 5.1510000E+01 1.3000000E-01 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 + 3.6900000E+04 5.1510000E+01 1.3000000E-01 1.2164783E+00 8.2204509E-01 -4.6555748E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 3.7800000E+04 5.1510000E+01 1.3000000E-01 1.1937276E+00 8.3771209E-01 -4.0010763E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 3.8700000E+04 5.1510000E+01 1.3000000E-01 1.1749116E+00 8.5112790E-01 -3.3465778E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 3.9600000E+04 5.1510000E+01 1.3000000E-01 1.1597765E+00 8.6223507E-01 -2.6920794E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.0500000E+04 5.1510000E+01 1.3000000E-01 1.1481240E+00 8.7098604E-01 -2.0375809E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.1400000E+04 5.1510000E+01 1.3000000E-01 1.1398046E+00 8.7734334E-01 -1.3830824E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.2300000E+04 5.1510000E+01 1.3000000E-01 1.1347135E+00 8.8127975E-01 -7.2858395E-02 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.3200000E+04 5.1510000E+01 1.3000000E-01 1.1327871E+00 8.8277841E-01 -7.4085481E-03 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.4100000E+04 5.1510000E+01 1.3000000E-01 1.1340017E+00 8.8183290E-01 5.8041299E-02 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.5000000E+04 5.1510000E+01 1.3000000E-01 1.1383723E+00 8.7844726E-01 1.2349115E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.5900000E+04 5.1510000E+01 1.3000000E-01 1.1459532E+00 8.7263601E-01 1.8894099E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.6800000E+04 5.1510000E+01 1.3000000E-01 1.1568397E+00 8.6442402E-01 2.5439084E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.7700000E+04 5.1510000E+01 1.3000000E-01 1.1711708E+00 8.5384646E-01 3.1984069E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.8600000E+04 5.1510000E+01 1.3000000E-01 1.1891333E+00 8.4094862E-01 3.8529053E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.9500000E+04 5.1510000E+01 1.3000000E-01 1.2109679E+00 8.2578573E-01 4.5074038E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 diff --git a/travis/new_tests/test4/modelOutput/photolysisRates.output b/travis/new_tests/test4/modelOutput/photolysisRates.output new file mode 100644 index 000000000..5de95c141 --- /dev/null +++ b/travis/new_tests/test4/modelOutput/photolysisRates.output @@ -0,0 +1,17 @@ + t J1 J2 J3 J4 J5 J6 J7 J8 J11 J12 J13 J14 J15 J16 J17 J18 J19 J21 J22 J23 J24 J31 J32 J33 J34 J35 J41 J51 J52 J53 J54 J55 J56 J57 J61 + 3.6900000E+04 2.4246415E-05 4.0864623E-04 6.4346043E-06 8.0260478E-03 2.1084893E-02 1.4556702E-01 1.7696851E-03 5.0370179E-07 2.6023293E-05 4.2134892E-05 3.4940735E-06 1.5111250E-05 1.5806572E-05 9.4828109E-06 4.3759419E-05 7.3412025E-06 7.3412025E-06 4.2187990E-07 2.9622428E-06 1.1854323E-05 1.1854323E-05 5.2254009E-05 7.8781793E-06 2.2928321E-05 1.1542973E-04 2.4873689E-04 4.7661209E-06 8.6027549E-07 9.9425340E-07 1.3190339E-06 2.2426271E-06 6.4395643E-06 4.1719215E-06 1.7632580E-06 4.9453955E-04 + 3.7800000E+04 2.5329231E-05 4.1170039E-04 6.5645730E-06 8.1122333E-03 2.1203910E-02 1.4640939E-01 1.7901176E-03 5.1914868E-07 2.6613244E-05 4.2829626E-05 3.6083411E-06 1.5544835E-05 1.6172517E-05 9.7023517E-06 4.4764341E-05 7.4466074E-06 7.4466074E-06 4.3732540E-07 3.0499946E-06 1.2023753E-05 1.2023753E-05 5.2622501E-05 7.9337358E-06 2.3374117E-05 1.1635008E-04 2.5065593E-04 4.8586267E-06 8.8560766E-07 1.0256680E-06 1.3592613E-06 2.3066864E-06 6.6053454E-06 4.2840994E-06 1.8202183E-06 5.0225078E-04 + 3.8700000E+04 2.6273756E-05 4.1427738E-04 6.6753665E-06 8.1847587E-03 2.1303831E-02 1.4711600E-01 1.8073236E-03 5.3246065E-07 2.7116914E-05 4.3418524E-05 3.7068843E-06 1.5917466E-05 1.6485198E-05 9.8899381E-06 4.5622421E-05 7.5357423E-06 7.5357423E-06 4.5072069E-07 3.1254650E-06 1.2167024E-05 1.2167024E-05 5.2931110E-05 7.9802638E-06 2.3753544E-05 1.1712225E-04 2.5226447E-04 4.9374108E-06 9.0740801E-07 1.0527566E-06 1.3939131E-06 2.3617654E-06 6.7474740E-06 4.3803691E-06 1.8693784E-06 5.0878864E-04 + 3.9600000E+04 2.7067763E-05 4.1638499E-04 6.7667496E-06 8.2439399E-03 2.1385213E-02 1.4769110E-01 1.8213718E-03 5.4353986E-07 2.7532856E-05 4.3901976E-05 3.7889448E-06 1.6226887E-05 1.6743595E-05 1.0044958E-05 4.6331130E-05 7.6087730E-06 7.6087730E-06 4.6192800E-07 3.1881708E-06 1.2284407E-05 1.2284407E-05 5.3181943E-05 8.0180810E-06 2.4066086E-05 1.1775079E-04 2.5357280E-04 5.0023421E-06 9.2553074E-07 1.0753126E-06 1.4227421E-06 2.4075190E-06 6.8652562E-06 4.4602140E-06 1.9103429E-06 5.1415687E-04 + 4.0500000E+04 2.7700975E-05 4.1802937E-04 6.8385299E-06 8.2900293E-03 2.1448498E-02 1.4813806E-01 1.8323173E-03 5.5230528E-07 2.7859891E-05 4.4280299E-05 3.8538956E-06 1.6471238E-05 1.6946872E-05 1.0166909E-05 4.6888408E-05 7.6658330E-06 7.6658330E-06 4.7083209E-07 3.2377134E-06 1.2376117E-05 1.2376117E-05 5.3376673E-05 8.0474399E-06 2.4311327E-05 1.1823934E-04 2.5458907E-04 5.0533132E-06 9.3985533E-07 1.0931647E-06 1.4455434E-06 2.4436623E-06 6.9581209E-06 4.5232088E-06 1.9427838E-06 5.1835840E-04 + 4.1400000E+04 2.8165192E-05 4.1921522E-04 6.8905567E-06 8.3232206E-03 2.1494023E-02 1.4845945E-01 1.8402024E-03 5.5869299E-07 2.8097102E-05 4.4553735E-05 3.9012428E-06 1.6649060E-05 1.7094376E-05 1.0255401E-05 4.7292651E-05 7.7070251E-06 7.7070251E-06 4.7734144E-07 3.2737800E-06 1.2442322E-05 1.2442322E-05 5.3516576E-05 8.0685327E-06 2.4488937E-05 1.1859065E-04 2.5531951E-04 5.0902403E-06 9.5028691E-07 1.1061780E-06 1.4621558E-06 2.4699712E-06 7.0256204E-06 4.5690198E-06 1.9664421E-06 5.2139547E-04 + 4.2300000E+04 2.8454406E-05 4.1994586E-04 6.9227215E-06 8.3436513E-03 2.1522025E-02 1.4865707E-01 1.8450571E-03 5.6265657E-07 2.8243825E-05 4.4722459E-05 3.9306279E-06 1.6759295E-05 1.7185639E-05 1.0310152E-05 4.7542702E-05 7.7324225E-06 7.7324225E-06 4.8138915E-07 3.2961437E-06 1.2483141E-05 1.2483141E-05 5.3602554E-05 8.0814954E-06 2.4598683E-05 1.1880668E-04 2.5576854E-04 5.1130628E-06 9.5675663E-07 1.1142543E-06 1.4724622E-06 2.4862832E-06 7.0674307E-06 4.5974053E-06 1.9811292E-06 5.2326966E-04 + 4.3200000E+04 2.8564870E-05 4.2022330E-04 6.9349571E-06 8.3514055E-03 2.1532649E-02 1.4873203E-01 1.8468999E-03 5.6416724E-07 2.8299654E-05 4.4786578E-05 3.9418288E-06 1.6801289E-05 1.7220370E-05 1.0330988E-05 4.7637849E-05 7.7420700E-06 7.7420700E-06 4.8293362E-07 3.3046642E-06 1.2498647E-05 1.2498647E-05 5.3635159E-05 8.0864111E-06 2.4640419E-05 1.1888863E-04 2.5593885E-04 5.1217431E-06 9.5922186E-07 1.1173328E-06 1.4763900E-06 2.4924978E-06 7.0833515E-06 4.6082160E-06 1.9867285E-06 5.2398192E-04 + 4.4100000E+04 2.8495154E-05 4.2004831E-04 6.9272382E-06 8.3465148E-03 2.1525949E-02 1.4868476E-01 1.8457376E-03 5.6321404E-07 2.8264433E-05 4.4746133E-05 3.9347612E-06 1.6774793E-05 1.7198459E-05 1.0317843E-05 4.7577823E-05 7.7359847E-06 7.7359847E-06 4.8195898E-07 3.2992882E-06 1.2488866E-05 1.2488866E-05 5.3614597E-05 8.0833110E-06 2.4614091E-05 1.1883694E-04 2.5583144E-04 5.1162672E-06 9.5766639E-07 1.1153903E-06 1.4739117E-06 2.4885767E-06 7.0733068E-06 4.6013952E-06 1.9831954E-06 5.2353263E-04 + 4.5000000E+04 2.8246162E-05 4.1942040E-04 6.8995808E-06 8.3289594E-03 2.1501890E-02 1.4851497E-01 1.8415659E-03 5.5980389E-07 2.8138261E-05 4.4601097E-05 3.9094783E-06 1.6679965E-05 1.7119975E-05 1.0270759E-05 4.7362794E-05 7.7141558E-06 7.7141558E-06 4.7847525E-07 3.2800493E-06 1.2453783E-05 1.2453783E-05 5.3540737E-05 8.0721754E-06 2.4519732E-05 1.1865135E-04 2.5544569E-04 5.0966439E-06 9.5210046E-07 1.1084415E-06 1.4650446E-06 2.4745440E-06 7.0373445E-06 4.5769787E-06 1.9705580E-06 5.2192155E-04 + 4.5900000E+04 2.7821117E-05 4.1833785E-04 6.8520425E-06 8.2986671E-03 2.1460350E-02 1.4822174E-01 1.8343691E-03 5.5396153E-07 2.7921487E-05 4.4351379E-05 3.8661710E-06 1.6517365E-05 1.6985169E-05 1.0189884E-05 4.6993374E-05 7.6765449E-06 7.6765449E-06 4.7251823E-07 3.2470681E-06 1.2393334E-05 1.2393334E-05 5.3413108E-05 8.0529332E-06 2.4357468E-05 1.1833081E-04 2.5477928E-04 5.0629055E-06 9.4256070E-07 1.0965386E-06 1.4498511E-06 2.4504863E-06 6.9756368E-06 4.5350947E-06 1.9489167E-06 5.1914786E-04 + 4.6800000E+04 2.7225523E-05 4.1679763E-04 6.7847225E-06 8.2555126E-03 2.1401111E-02 1.4780340E-01 1.8241197E-03 5.4572943E-07 2.7614715E-05 4.3996821E-05 3.8051670E-06 1.6287962E-05 1.6794467E-05 1.0075477E-05 4.6470616E-05 7.6230851E-06 7.6230851E-06 4.6414913E-07 3.2005519E-06 1.2307410E-05 1.2307410E-05 5.3230888E-05 8.0254604E-06 2.4127513E-05 1.1787354E-04 2.5382820E-04 5.0151072E-06 9.2911007E-07 1.0797714E-06 1.4284383E-06 2.4165520E-06 6.8884797E-06 4.4759643E-06 1.9184439E-06 5.1521012E-04 + 4.7700000E+04 2.6467090E-05 4.1479538E-04 6.6977619E-06 8.1993152E-03 2.1323860E-02 1.4725758E-01 1.8107783E-03 5.3516755E-07 2.7218807E-05 4.3537193E-05 3.7269297E-06 1.5993123E-05 1.6548483E-05 9.9279043E-06 4.5796025E-05 7.5536805E-06 7.5536805E-06 4.5345399E-07 3.1407942E-06 1.2195857E-05 1.2195857E-05 5.2992888E-05 7.9895779E-06 2.3830173E-05 1.1727698E-04 2.5258663E-04 4.9533278E-06 9.1183755E-07 1.0582666E-06 1.4009576E-06 2.3729512E-06 6.7762929E-06 4.3999001E-06 1.8793828E-06 5.1010626E-04 + 4.8600000E+04 2.5555638E-05 4.1232527E-04 6.5913437E-06 8.1298361E-03 2.1228181E-02 1.4658108E-01 1.7942927E-03 5.2235308E-07 2.6734881E-05 4.2972199E-05 3.6320563E-06 1.5634619E-05 1.6248008E-05 9.7476410E-06 4.4971557E-05 7.4682048E-06 7.4682048E-06 4.4054275E-07 3.0681743E-06 1.2058468E-05 1.2058468E-05 5.2697528E-05 7.9450473E-06 2.3465847E-05 1.1653769E-04 2.5104687E-04 4.8776692E-06 8.9085790E-07 1.0321873E-06 1.3676038E-06 2.3199553E-06 6.6396197E-06 4.3073068E-06 1.8320458E-06 5.0383348E-04 + 4.9500000E+04 2.4502963E-05 4.0937990E-04 6.4656932E-06 8.0467742E-03 2.1113543E-02 1.4576987E-01 1.7745974E-03 5.0738009E-07 2.6164322E-05 4.2301463E-05 3.5212755E-06 1.5214616E-05 1.5894022E-05 9.5352748E-06 4.3999633E-05 7.3664995E-06 7.3664995E-06 4.2554822E-07 2.9831562E-06 1.1894987E-05 1.1894987E-05 5.2342801E-05 7.8915662E-06 2.3035026E-05 1.1565134E-04 2.4919914E-04 4.7882571E-06 8.6631123E-07 1.0017322E-06 1.3286149E-06 2.2578958E-06 6.4791261E-06 4.1986803E-06 1.7768134E-06 4.9638826E-04 + 5.0400000E+04 2.3322692E-05 4.0595013E-04 6.3210787E-06 7.9497613E-03 2.0979288E-02 1.4481894E-01 1.7516124E-03 4.9035908E-07 2.5508787E-05 4.1524536E-05 3.3954451E-06 1.4735675E-05 1.5487693E-05 9.2915062E-06 4.2883148E-05 7.2483723E-06 7.2483723E-06 4.0862466E-07 2.8862882E-06 1.1705099E-05 1.1705099E-05 5.1926234E-05 7.8287616E-06 2.2538299E-05 1.1461258E-04 2.4703139E-04 4.6852411E-06 8.3836259E-07 9.6713466E-07 1.2842704E-06 2.1871636E-06 6.2956015E-06 4.0746076E-06 1.7141313E-06 4.8776621E-04 diff --git a/travis/new_tests/test4/modelOutput/productionRates.output b/travis/new_tests/test4/modelOutput/productionRates.output new file mode 100644 index 000000000..82712a2dc --- /dev/null +++ b/travis/new_tests/test4/modelOutput/productionRates.output @@ -0,0 +1 @@ + time speciesNumber speciesName reactionNumber rate diff --git a/travis/new_tests/test5/instantaneousRates/37800 b/travis/new_tests/test5/instantaneousRates/37800 new file mode 100644 index 000000000..af03ade3f --- /dev/null +++ b/travis/new_tests/test5/instantaneousRates/37800 @@ -0,0 +1 @@ + -3.9592544716623841E-006 diff --git a/travis/new_tests/test5/instantaneousRates/39600 b/travis/new_tests/test5/instantaneousRates/39600 new file mode 100644 index 000000000..e0c182156 --- /dev/null +++ b/travis/new_tests/test5/instantaneousRates/39600 @@ -0,0 +1 @@ + 3.9559500446951713E-006 diff --git a/travis/new_tests/test5/instantaneousRates/41400 b/travis/new_tests/test5/instantaneousRates/41400 new file mode 100644 index 000000000..c43d19f95 --- /dev/null +++ b/travis/new_tests/test5/instantaneousRates/41400 @@ -0,0 +1 @@ + -3.9526483756303821E-006 diff --git a/travis/new_tests/test5/instantaneousRates/43200 b/travis/new_tests/test5/instantaneousRates/43200 new file mode 100644 index 000000000..b1d76da64 --- /dev/null +++ b/travis/new_tests/test5/instantaneousRates/43200 @@ -0,0 +1 @@ + 3.9493494621662612E-006 diff --git a/travis/new_tests/test5/instantaneousRates/45000 b/travis/new_tests/test5/instantaneousRates/45000 new file mode 100644 index 000000000..e88bf0b99 --- /dev/null +++ b/travis/new_tests/test5/instantaneousRates/45000 @@ -0,0 +1 @@ + -3.9460533020029837E-006 diff --git a/travis/new_tests/test5/instantaneousRates/46800 b/travis/new_tests/test5/instantaneousRates/46800 new file mode 100644 index 000000000..696295e71 --- /dev/null +++ b/travis/new_tests/test5/instantaneousRates/46800 @@ -0,0 +1 @@ + 3.9427598928425872E-006 diff --git a/travis/new_tests/test5/instantaneousRates/48600 b/travis/new_tests/test5/instantaneousRates/48600 new file mode 100644 index 000000000..370e456c0 --- /dev/null +++ b/travis/new_tests/test5/instantaneousRates/48600 @@ -0,0 +1 @@ + -3.9394692323890917E-006 diff --git a/travis/new_tests/test5/instantaneousRates/50400 b/travis/new_tests/test5/instantaneousRates/50400 new file mode 100644 index 000000000..205398304 --- /dev/null +++ b/travis/new_tests/test5/instantaneousRates/50400 @@ -0,0 +1 @@ + 3.9361813183483972E-006 diff --git a/travis/new_tests/test5/mechanism.fac b/travis/new_tests/test5/mechanism.fac new file mode 100644 index 000000000..ce778a6a8 --- /dev/null +++ b/travis/new_tests/test5/mechanism.fac @@ -0,0 +1,12 @@ +* Generic Rate Coefficients ; + +* Complex reactions ; + +* Peroxy radicals. ; + +RO2 = ; + +* Reaction definitions. ; +*; +* water dependence ; +% 1.20D-15*H2O : SO3 = SA ; diff --git a/travis/new_tests/test5/modelConfiguration/concentrationOutput.config b/travis/new_tests/test5/modelConfiguration/concentrationOutput.config new file mode 100644 index 000000000..3923e3cc4 --- /dev/null +++ b/travis/new_tests/test5/modelConfiguration/concentrationOutput.config @@ -0,0 +1,2 @@ +SO3 +SA diff --git a/travis/new_tests/test5/modelConfiguration/constrainedFixedSpecies.config b/travis/new_tests/test5/modelConfiguration/constrainedFixedSpecies.config new file mode 100644 index 000000000..e69de29bb diff --git a/travis/new_tests/test5/modelConfiguration/constrainedPhotoRates.config b/travis/new_tests/test5/modelConfiguration/constrainedPhotoRates.config new file mode 100644 index 000000000..e69de29bb diff --git a/travis/new_tests/test5/modelConfiguration/constrainedSpecies.config b/travis/new_tests/test5/modelConfiguration/constrainedSpecies.config new file mode 100644 index 000000000..e69de29bb diff --git a/travis/new_tests/test5/modelConfiguration/environmentVariables.config b/travis/new_tests/test5/modelConfiguration/environmentVariables.config new file mode 100644 index 000000000..8fd47de3e --- /dev/null +++ b/travis/new_tests/test5/modelConfiguration/environmentVariables.config @@ -0,0 +1,9 @@ +1 TEMP 288 +2 PRESS 1010 +3 RH NOTUSED +5 H2O 1.7965e+17 +5 DEC 0.41 +6 BLHEIGHT NOTUSED +7 DILUTE NOTUSED +8 JFAC NOTUSED +9 ROOFOPEN ON diff --git a/travis/new_tests/test5/modelConfiguration/initialConcentrations.config b/travis/new_tests/test5/modelConfiguration/initialConcentrations.config new file mode 100644 index 000000000..6996cfed2 --- /dev/null +++ b/travis/new_tests/test5/modelConfiguration/initialConcentrations.config @@ -0,0 +1 @@ +SO3 3.6e9 diff --git a/travis/new_tests/test5/modelConfiguration/lossRatesOutput.config b/travis/new_tests/test5/modelConfiguration/lossRatesOutput.config new file mode 100644 index 000000000..e69de29bb diff --git a/travis/new_tests/test5/modelConfiguration/model.parameters b/travis/new_tests/test5/modelConfiguration/model.parameters new file mode 100644 index 000000000..a4019899d --- /dev/null +++ b/travis/new_tests/test5/modelConfiguration/model.parameters @@ -0,0 +1,13 @@ +16 number of steps +900 step size (seconds) +2 species interpolation method (pw constant = 1, pw linear = 2) +2 conditions interpolation method (pw constant = 1, pw linear = 2) +1800 rates output step size (seconds) +36000 model start time (seconds) +0 jacobian output step size (seconds) +51.51 latitude (degrees) +0.13 longitude (degrees) +21 day +06 month +2010 year +1800 instantaneous rates output step size (seconds) diff --git a/travis/new_tests/test5/modelConfiguration/photolysisRates.config b/travis/new_tests/test5/modelConfiguration/photolysisRates.config new file mode 100644 index 000000000..ab1051fa2 --- /dev/null +++ b/travis/new_tests/test5/modelConfiguration/photolysisRates.config @@ -0,0 +1,36 @@ + J L M N name transmissionFactor + 1 6.073D-05 1.743 0.474 J1 1 + 2 4.775D-04 0.298 0.080 J2 1 + 3 1.041D-05 0.723 0.279 J3 1 + 4 1.165D-02 0.244 0.267 J4 1 + 5 2.485D-02 0.168 0.108 J5 1 + 6 1.747D-01 0.155 0.125 J6 1 + 7 2.644D-03 0.261 0.288 J7 1 + 8 9.312D-07 1.230 0.307 J8 1 + 11 4.642D-05 0.762 0.353 J11 1 + 12 6.853D-05 0.477 0.323 J12 1 + 13 7.344D-06 1.202 0.417 J13 1 + 14 2.879D-05 1.067 0.358 J14 1 + 15 2.792D-05 0.805 0.338 J15 1 + 16 1.675D-05 0.805 0.338 J16 1 + 17 7.914D-05 0.764 0.364 J17 1 + 18 1.140D-05 0.396 0.298 J18 1 + 19 1.140D-05 0.396 0.298 J19 1 + 21 7.992D-07 1.578 0.271 J21 1 + 22 5.804D-06 1.092 0.377 J22 1 + 23 1.836D-05 0.395 0.296 J23 1 + 24 1.836D-05 0.395 0.296 J24 1 + 31 6.845D-05 0.130 0.201 J31 1 + 32 1.032D-05 0.130 0.201 J32 1 + 33 3.802D-05 0.644 0.312 J33 1 + 34 1.537D-04 0.170 0.208 J34 1 + 35 3.326D-04 0.148 0.215 J35 1 + 41 7.649D-06 0.682 0.279 J41 1 + 51 1.588D-06 1.154 0.318 J51 1 + 52 1.907D-06 1.244 0.335 J52 1 + 53 2.485D-06 1.196 0.328 J53 1 + 54 4.095D-06 1.111 0.316 J54 1 + 55 1.135D-05 0.974 0.309 J55 1 + 56 7.549D-06 1.015 0.324 J56 1 + 57 3.363D-06 1.296 0.322 J57 1 + 61 7.537D-04 0.499 0.266 J61 1 diff --git a/travis/new_tests/test5/modelConfiguration/productionRatesOutput.config b/travis/new_tests/test5/modelConfiguration/productionRatesOutput.config new file mode 100644 index 000000000..e69de29bb diff --git a/travis/new_tests/test5/modelConfiguration/solver.parameters b/travis/new_tests/test5/modelConfiguration/solver.parameters new file mode 100644 index 000000000..e1ce01a54 --- /dev/null +++ b/travis/new_tests/test5/modelConfiguration/solver.parameters @@ -0,0 +1,9 @@ +1.0e-03 atol +1.0e-04 rtol +1.0e-04 delta main +100 lookback +100 maximum solver step size (seconds) +100000 maximum number of steps in solver +2 solver type (1 = spgmr, 2 = spgmr + banded preconditioner, 3 = dense) +750 banded preconditioner upper bandwidth +750 banded preconditioner lower bandwidth diff --git a/travis/new_tests/test5/modelOutput/concentration.output b/travis/new_tests/test5/modelOutput/concentration.output new file mode 100644 index 000000000..1a3afb6c8 --- /dev/null +++ b/travis/new_tests/test5/modelOutput/concentration.output @@ -0,0 +1,18 @@ + t SO3 SA + 3.6000000E+04 3.6000000E+09 0.0000000E+00 + 3.6900000E+04 4.9447784E-09 3.6000000E+09 + 3.7800000E+04 0.0000000E+00 3.6000000E+09 + 3.8700000E+04 0.0000000E+00 3.6000000E+09 + 3.9600000E+04 1.3412298E-08 3.6000000E+09 + 4.0500000E+04 4.9365279E-09 3.6000000E+09 + 4.1400000E+04 0.0000000E+00 3.6000000E+09 + 4.2300000E+04 0.0000000E+00 3.6000000E+09 + 4.3200000E+04 1.3389919E-08 3.6000000E+09 + 4.4100000E+04 4.9282912E-09 3.6000000E+09 + 4.5000000E+04 0.0000000E+00 3.6000000E+09 + 4.5900000E+04 0.0000000E+00 3.6000000E+09 + 4.6800000E+04 1.3367577E-08 3.6000000E+09 + 4.7700000E+04 4.9200683E-09 3.6000000E+09 + 4.8600000E+04 0.0000000E+00 3.6000000E+09 + 4.9500000E+04 0.0000000E+00 3.6000000E+09 + 5.0400000E+04 1.3345273E-08 3.6000000E+09 diff --git a/travis/new_tests/test5/modelOutput/envVar.output b/travis/new_tests/test5/modelOutput/envVar.output new file mode 100644 index 000000000..2c34adead --- /dev/null +++ b/travis/new_tests/test5/modelOutput/envVar.output @@ -0,0 +1,17 @@ + t M TEMP PRESS RH H2O DEC BLHEIGHT DILUTE JFAC ROOFOPEN RO2 + 3.6900000E+04 2.5400700E+19 2.8800000E+02 1.0100000E+03 -1.0000000E+00 1.7965000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 3.7800000E+04 2.5400700E+19 2.8800000E+02 1.0100000E+03 -1.0000000E+00 1.7965000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 3.8700000E+04 2.5400700E+19 2.8800000E+02 1.0100000E+03 -1.0000000E+00 1.7965000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 3.9600000E+04 2.5400700E+19 2.8800000E+02 1.0100000E+03 -1.0000000E+00 1.7965000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.0500000E+04 2.5400700E+19 2.8800000E+02 1.0100000E+03 -1.0000000E+00 1.7965000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.1400000E+04 2.5400700E+19 2.8800000E+02 1.0100000E+03 -1.0000000E+00 1.7965000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.2300000E+04 2.5400700E+19 2.8800000E+02 1.0100000E+03 -1.0000000E+00 1.7965000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.3200000E+04 2.5400700E+19 2.8800000E+02 1.0100000E+03 -1.0000000E+00 1.7965000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.4100000E+04 2.5400700E+19 2.8800000E+02 1.0100000E+03 -1.0000000E+00 1.7965000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.5000000E+04 2.5400700E+19 2.8800000E+02 1.0100000E+03 -1.0000000E+00 1.7965000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.5900000E+04 2.5400700E+19 2.8800000E+02 1.0100000E+03 -1.0000000E+00 1.7965000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.6800000E+04 2.5400700E+19 2.8800000E+02 1.0100000E+03 -1.0000000E+00 1.7965000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.7700000E+04 2.5400700E+19 2.8800000E+02 1.0100000E+03 -1.0000000E+00 1.7965000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.8600000E+04 2.5400700E+19 2.8800000E+02 1.0100000E+03 -1.0000000E+00 1.7965000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.9500000E+04 2.5400700E+19 2.8800000E+02 1.0100000E+03 -1.0000000E+00 1.7965000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 5.0400000E+04 2.5400700E+19 2.8800000E+02 1.0100000E+03 -1.0000000E+00 1.7965000E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 diff --git a/travis/new_tests/test5/modelOutput/errors.output b/travis/new_tests/test5/modelOutput/errors.output new file mode 100644 index 000000000..5dfb20c54 --- /dev/null +++ b/travis/new_tests/test5/modelOutput/errors.output @@ -0,0 +1,2 @@ +Number of fixed constrained species: 0 +Total number of constrained species: 0 diff --git a/travis/new_tests/test5/modelOutput/finalModelState.output b/travis/new_tests/test5/modelOutput/finalModelState.output new file mode 100644 index 000000000..ed88507f7 --- /dev/null +++ b/travis/new_tests/test5/modelOutput/finalModelState.output @@ -0,0 +1,2 @@ + SO3 1.3345273422061364E-008 + SA 3599999999.9999986 diff --git a/travis/new_tests/test5/modelOutput/initialConditionsSetting.output b/travis/new_tests/test5/modelOutput/initialConditionsSetting.output new file mode 100644 index 000000000..36b996e9f --- /dev/null +++ b/travis/new_tests/test5/modelOutput/initialConditionsSetting.output @@ -0,0 +1 @@ +match, m = k = SO3 concentration = 3.600E+09 diff --git a/travis/new_tests/test5/modelOutput/jacobian.output b/travis/new_tests/test5/modelOutput/jacobian.output new file mode 100644 index 000000000..e69de29bb diff --git a/travis/new_tests/test5/modelOutput/lossRates.output b/travis/new_tests/test5/modelOutput/lossRates.output new file mode 100644 index 000000000..82712a2dc --- /dev/null +++ b/travis/new_tests/test5/modelOutput/lossRates.output @@ -0,0 +1 @@ + time speciesNumber speciesName reactionNumber rate diff --git a/travis/new_tests/test5/modelOutput/mainSolverParameters.output b/travis/new_tests/test5/modelOutput/mainSolverParameters.output new file mode 100644 index 000000000..aa137a7d3 --- /dev/null +++ b/travis/new_tests/test5/modelOutput/mainSolverParameters.output @@ -0,0 +1,17 @@ + t currentStepSize previousStepSize LENRW LENIW NST NFE NETF NCFN NNI NSETUPS QU QCUR NOR LENRWLS LENIWLS LS_FLAG NFELS NJTV NPE NPS NLI NCFL + 3.69E+04 1.000000000E+02 1.000000000E+02 109 50 183 204 1 0 203 32 1 1 0 10611 105 0 178 178 3 361 178 0 + 3.78E+04 1.000000000E+02 1.000000000E+02 109 50 192 213 1 0 212 32 1 1 0 10611 105 0 182 182 3 374 182 0 + 3.87E+04 1.000000000E+02 1.000000000E+02 109 50 201 222 1 0 221 33 1 1 0 10611 105 0 187 187 4 388 187 0 + 3.96E+04 1.000000000E+02 1.000000000E+02 109 50 210 231 1 0 230 33 1 1 0 10611 105 0 191 191 4 401 191 0 + 4.05E+04 1.000000000E+02 1.000000000E+02 109 50 219 240 1 0 239 34 1 1 0 10611 105 0 196 196 4 415 196 0 + 4.14E+04 1.000000000E+02 1.000000000E+02 109 50 228 249 1 0 248 34 1 1 0 10611 105 0 200 200 4 428 200 0 + 4.23E+04 1.000000000E+02 1.000000000E+02 109 50 237 258 1 0 257 35 1 1 0 10611 105 0 205 205 4 442 205 0 + 4.32E+04 1.000000000E+02 1.000000000E+02 109 50 246 267 1 0 266 35 1 1 0 10611 105 0 209 209 4 455 209 0 + 4.41E+04 1.000000000E+02 1.000000000E+02 109 50 255 276 1 0 275 36 1 1 0 10611 105 0 214 214 5 469 214 0 + 4.50E+04 1.000000000E+02 1.000000000E+02 109 50 264 285 1 0 284 36 1 1 0 10611 105 0 218 218 5 482 218 0 + 4.59E+04 1.000000000E+02 1.000000000E+02 109 50 273 294 1 0 293 36 1 1 0 10611 105 0 223 223 5 496 223 0 + 4.68E+04 1.000000000E+02 1.000000000E+02 109 50 282 303 1 0 302 37 1 1 0 10611 105 0 227 227 5 509 227 0 + 4.77E+04 1.000000000E+02 1.000000000E+02 109 50 291 312 1 0 311 37 1 1 0 10611 105 0 232 232 5 523 232 0 + 4.86E+04 1.000000000E+02 1.000000000E+02 109 50 300 321 1 0 320 38 1 1 0 10611 105 0 236 236 5 536 236 0 + 4.95E+04 1.000000000E+02 1.000000000E+02 109 50 309 330 1 0 329 38 1 1 0 10611 105 0 241 241 5 550 241 0 + 5.04E+04 1.000000000E+02 1.000000000E+02 109 50 318 339 1 0 338 39 1 1 0 10611 105 0 245 245 6 563 245 0 diff --git a/travis/new_tests/test5/modelOutput/photoRateCalcParameters.output b/travis/new_tests/test5/modelOutput/photoRateCalcParameters.output new file mode 100644 index 000000000..2ed1a2f62 --- /dev/null +++ b/travis/new_tests/test5/modelOutput/photoRateCalcParameters.output @@ -0,0 +1,17 @@ + t latitude longitude secx cosx lha sinld cosld theta eqtime + 3.6000000E+04 5.1510000E+01 1.3000000E-01 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 + 3.6900000E+04 5.1510000E+01 1.3000000E-01 1.2163477E+00 8.2213332E-01 -4.6521306E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 3.7800000E+04 5.1510000E+01 1.3000000E-01 1.1936185E+00 8.3778863E-01 -3.9976321E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 3.8700000E+04 5.1510000E+01 1.3000000E-01 1.1748225E+00 8.5119243E-01 -3.3431337E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 3.9600000E+04 5.1510000E+01 1.3000000E-01 1.1597063E+00 8.6228732E-01 -2.6886352E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.0500000E+04 5.1510000E+01 1.3000000E-01 1.1480716E+00 8.7102579E-01 -2.0341367E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.1400000E+04 5.1510000E+01 1.3000000E-01 1.1397695E+00 8.7737041E-01 -1.3796383E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.2300000E+04 5.1510000E+01 1.3000000E-01 1.1346951E+00 8.8129403E-01 -7.2513979E-02 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.3200000E+04 5.1510000E+01 1.3000000E-01 1.1327853E+00 8.8277983E-01 -7.0641321E-03 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.4100000E+04 5.1510000E+01 1.3000000E-01 1.1340164E+00 8.8182146E-01 5.8385715E-02 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.5000000E+04 5.1510000E+01 1.3000000E-01 1.1384037E+00 8.7842301E-01 1.2383556E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.5900000E+04 5.1510000E+01 1.3000000E-01 1.1460017E+00 8.7259905E-01 1.8928541E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.6800000E+04 5.1510000E+01 1.3000000E-01 1.1569059E+00 8.6437451E-01 2.5473526E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.7700000E+04 5.1510000E+01 1.3000000E-01 1.1712556E+00 8.5378461E-01 3.2018510E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.8600000E+04 5.1510000E+01 1.3000000E-01 1.1892378E+00 8.4087470E-01 3.8563495E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.9500000E+04 5.1510000E+01 1.3000000E-01 1.2110935E+00 8.2570006E-01 4.5108480E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 diff --git a/travis/new_tests/test5/modelOutput/photolysisRates.output b/travis/new_tests/test5/modelOutput/photolysisRates.output new file mode 100644 index 000000000..6f69535d6 --- /dev/null +++ b/travis/new_tests/test5/modelOutput/photolysisRates.output @@ -0,0 +1,17 @@ + t J1 J2 J3 J4 J5 J6 J7 J8 J11 J12 J13 J14 J15 J16 J17 J18 J19 J21 J22 J23 J24 J31 J32 J33 J34 J35 J41 J51 J52 J53 J54 J55 J56 J57 J61 + 3.6900000E+04 2.4252451E-05 4.0866356E-04 6.4353379E-06 8.0265378E-03 2.1085570E-02 1.4557182E-01 1.7698012E-03 5.0378847E-07 2.6026621E-05 4.2138826E-05 3.4947145E-06 1.5113687E-05 1.5808635E-05 9.4840486E-06 4.3765086E-05 7.3418001E-06 7.3418001E-06 4.2196628E-07 2.9627357E-06 1.1855283E-05 1.1855283E-05 5.2256109E-05 7.8784959E-06 2.2930839E-05 1.1543497E-04 2.4874782E-04 4.7666433E-06 8.6041775E-07 9.9442963E-07 1.3192597E-06 2.2429870E-06 6.4404973E-06 4.1725524E-06 1.7635774E-06 4.9458321E-04 + 3.7800000E+04 2.5334575E-05 4.1171519E-04 6.5652065E-06 8.1126504E-03 2.1204485E-02 1.4641346E-01 1.7902165E-03 5.1922442E-07 2.6616122E-05 4.2833002E-05 3.6089015E-06 1.5546957E-05 1.6174303E-05 9.7034230E-06 4.4769244E-05 7.4471189E-06 7.4471189E-06 4.3740139E-07 3.0504243E-06 1.2024575E-05 1.2024575E-05 5.2624280E-05 7.9340039E-06 2.3376288E-05 1.1635453E-04 2.5066519E-04 4.8590773E-06 8.8573176E-07 1.0258220E-06 1.3594585E-06 2.3070001E-06 6.6061558E-06 4.2846481E-06 1.8204978E-06 5.0228825E-04 + 3.8700000E+04 2.6278338E-05 4.1428970E-04 6.6758984E-06 8.1851048E-03 2.1304307E-02 1.4711937E-01 1.8074057E-03 5.3252487E-07 2.7119333E-05 4.3421344E-05 3.7073598E-06 1.5919261E-05 1.6486701E-05 9.8908396E-06 4.5626543E-05 7.5361686E-06 7.5361686E-06 4.5078551E-07 3.1258287E-06 1.2167710E-05 1.2167710E-05 5.2932579E-05 7.9804853E-06 2.3755364E-05 1.1712593E-04 2.5227214E-04 4.9377888E-06 9.0751312E-07 1.0528873E-06 1.3940803E-06 2.3620308E-06 6.7481581E-06 4.3808327E-06 1.8696157E-06 5.0881995E-04 + 3.9600000E+04 2.7071524E-05 4.1639485E-04 6.7671788E-06 8.2442165E-03 2.1385593E-02 1.4769378E-01 1.8214375E-03 5.4359211E-07 2.7534810E-05 4.3904242E-05 3.7893319E-06 1.6228344E-05 1.6744810E-05 1.0045686E-05 4.6334460E-05 7.6091149E-06 7.6091149E-06 4.6198098E-07 3.1884662E-06 1.2284957E-05 1.2284957E-05 5.3183113E-05 8.0182575E-06 2.4067553E-05 1.1775373E-04 2.5357891E-04 5.0026469E-06 9.2561616E-07 1.0754189E-06 1.4228780E-06 2.4077346E-06 6.8658106E-06 4.4605900E-06 1.9105362E-06 5.1418203E-04 + 4.0500000E+04 2.7703866E-05 4.1803681E-04 6.8388555E-06 8.2902376E-03 2.1448784E-02 1.4814008E-01 1.8323668E-03 5.5234516E-07 2.7861376E-05 4.4282012E-05 3.8541912E-06 1.6472349E-05 1.6947794E-05 1.0167463E-05 4.6890937E-05 7.6660912E-06 7.6660912E-06 4.7087268E-07 3.2379387E-06 1.2376532E-05 1.2376532E-05 5.3377551E-05 8.0475724E-06 2.4312438E-05 1.1824154E-04 2.5459366E-04 5.0535444E-06 9.3992048E-07 1.0932460E-06 1.4456471E-06 2.4438266E-06 6.9585428E-06 4.5234951E-06 1.9429315E-06 5.1837742E-04 + 4.1400000E+04 2.8167177E-05 4.1922026E-04 6.8907780E-06 8.3233614E-03 2.1494216E-02 1.4846081E-01 1.8402358E-03 5.5872023E-07 2.8098111E-05 4.4554897E-05 3.9014447E-06 1.6649818E-05 1.7095004E-05 1.0255778E-05 4.7294371E-05 7.7072000E-06 7.7072000E-06 4.7736923E-07 3.2739338E-06 1.2442604E-05 1.2442604E-05 5.3517169E-05 8.0686220E-06 2.4489693E-05 1.1859214E-04 2.5532261E-04 5.0903974E-06 9.5033137E-07 1.1062335E-06 1.4622266E-06 2.4700833E-06 7.0259079E-06 4.5692149E-06 1.9665430E-06 5.2140837E-04 + 4.2300000E+04 2.8455457E-05 4.1994850E-04 6.9228380E-06 8.3437252E-03 2.1522126E-02 1.4865778E-01 1.8450747E-03 5.6267096E-07 2.8244357E-05 4.4723070E-05 3.9307346E-06 1.6759695E-05 1.7185970E-05 1.0310351E-05 4.7543608E-05 7.7325144E-06 7.7325144E-06 4.8140385E-07 3.2962249E-06 1.2483289E-05 1.2483289E-05 5.3602865E-05 8.0815423E-06 2.4599081E-05 1.1880746E-04 2.5577017E-04 5.1131455E-06 9.5678011E-07 1.1142836E-06 1.4724996E-06 2.4863424E-06 7.0675823E-06 4.5975083E-06 1.9811826E-06 5.2327645E-04 + 4.3200000E+04 2.8564975E-05 4.2022356E-04 6.9349687E-06 8.3514128E-03 2.1532659E-02 1.4873211E-01 1.8469016E-03 5.6416867E-07 2.8299707E-05 4.4786639E-05 3.9418395E-06 1.6801329E-05 1.7220403E-05 1.0331008E-05 4.7637939E-05 7.7420792E-06 7.7420792E-06 4.8293508E-07 3.3046723E-06 1.2498661E-05 1.2498661E-05 5.3635190E-05 8.0864158E-06 2.4640459E-05 1.1888871E-04 2.5593901E-04 5.1217513E-06 9.5922420E-07 1.1173357E-06 1.4763938E-06 2.4925037E-06 7.0833666E-06 4.6082263E-06 1.9867338E-06 5.2398260E-04 + 4.4100000E+04 2.8494311E-05 4.2004619E-04 6.9271448E-06 8.3464556E-03 2.1525867E-02 1.4868418E-01 1.8457235E-03 5.6320251E-07 2.8264007E-05 4.4745643E-05 3.9346757E-06 1.6774473E-05 1.7198194E-05 1.0317684E-05 4.7577097E-05 7.7359111E-06 7.7359111E-06 4.8194719E-07 3.2992232E-06 1.2488748E-05 1.2488748E-05 5.3614348E-05 8.0832735E-06 2.4613772E-05 1.1883632E-04 2.5583014E-04 5.1162009E-06 9.5764758E-07 1.1153668E-06 1.4738817E-06 2.4885292E-06 7.0731853E-06 4.6013127E-06 1.9831527E-06 5.2352719E-04 + 4.5000000E+04 2.8244382E-05 4.1941589E-04 6.8993826E-06 8.3288335E-03 2.1501718E-02 1.4851375E-01 1.8415360E-03 5.5977948E-07 2.8137357E-05 4.4600057E-05 3.9092973E-06 1.6679286E-05 1.7119413E-05 1.0270422E-05 4.7361254E-05 7.7139992E-06 7.7139992E-06 4.7845033E-07 3.2799115E-06 1.2453531E-05 1.2453531E-05 5.3540207E-05 8.0720954E-06 2.4519056E-05 1.1865001E-04 2.5544292E-04 5.0965033E-06 9.5206061E-07 1.1083918E-06 1.4649811E-06 2.4744436E-06 7.0370869E-06 4.5768038E-06 1.9704675E-06 5.2191000E-04 + 4.5900000E+04 2.7818424E-05 4.1833094E-04 6.8517399E-06 8.2984739E-03 2.1460085E-02 1.4821986E-01 1.8343232E-03 5.5392442E-07 2.7920107E-05 4.4349788E-05 3.8658959E-06 1.6516332E-05 1.6984311E-05 1.0189370E-05 4.6991023E-05 7.6763051E-06 7.6763051E-06 4.7248044E-07 3.2468585E-06 1.2392948E-05 1.2392948E-05 5.3412293E-05 8.0528103E-06 2.4356434E-05 1.1832876E-04 2.5477502E-04 5.0626907E-06 9.4250009E-07 1.0964630E-06 1.4497546E-06 2.4503334E-06 6.9752444E-06 4.5348285E-06 1.9487793E-06 5.1913018E-04 + 4.6800000E+04 2.7221950E-05 4.1678831E-04 6.7843162E-06 8.2552512E-03 2.1400752E-02 1.4780086E-01 1.8240576E-03 5.4567989E-07 2.7612864E-05 4.3994677E-05 3.8048000E-06 1.6286580E-05 1.6793317E-05 1.0074787E-05 4.6467462E-05 7.6227617E-06 7.6227617E-06 4.6409886E-07 3.2002718E-06 1.2306891E-05 1.2306891E-05 5.3229783E-05 8.0252938E-06 2.4126124E-05 1.1787077E-04 2.5382243E-04 5.0148186E-06 9.2902909E-07 1.0796705E-06 1.4283095E-06 2.4163476E-06 6.8879544E-06 4.4756080E-06 1.9182606E-06 5.1518632E-04 + 4.7700000E+04 2.6462685E-05 4.1478361E-04 6.6972527E-06 8.1989846E-03 2.1323406E-02 1.4725436E-01 1.8106998E-03 5.3510593E-07 2.7216489E-05 4.3534496E-05 3.7264734E-06 1.5991401E-05 1.6547044E-05 9.9270408E-06 4.5792077E-05 7.5532729E-06 7.5532729E-06 4.5339174E-07 3.1404454E-06 1.2195202E-05 1.2195202E-05 5.2991486E-05 7.9893665E-06 2.3828431E-05 1.1727346E-04 2.5257932E-04 4.9529658E-06 9.1173674E-07 1.0581412E-06 1.4007973E-06 2.3726967E-06 6.7756373E-06 4.3994557E-06 1.8791550E-06 5.1007631E-04 + 4.8600000E+04 2.5550457E-05 4.1231102E-04 6.5907326E-06 8.1294348E-03 2.1227628E-02 1.4657717E-01 1.7941975E-03 5.2227984E-07 2.6732104E-05 4.2968946E-05 3.6315143E-06 1.5632568E-05 1.6246284E-05 9.7466069E-06 4.4966826E-05 7.4677122E-06 7.4677122E-06 4.4046918E-07 3.0677589E-06 1.2057676E-05 1.2057676E-05 5.2695819E-05 7.9447896E-06 2.3463753E-05 1.1653341E-04 2.5103796E-04 4.8772345E-06 8.9073793E-07 1.0320383E-06 1.3674132E-06 2.3196522E-06 6.6388368E-06 4.3067766E-06 1.8317755E-06 5.0379738E-04 + 4.9500000E+04 2.4497074E-05 4.0936313E-04 6.4649815E-06 8.0463005E-03 2.1112888E-02 1.4576524E-01 1.7744851E-03 5.0729578E-07 2.6161094E-05 4.2297653E-05 3.5206519E-06 1.5212247E-05 1.5892020E-05 9.5340735E-06 4.3994133E-05 7.3659210E-06 7.3659210E-06 4.2546406E-07 2.9826769E-06 1.1894057E-05 1.1894057E-05 5.2340773E-05 7.8912605E-06 2.3032584E-05 1.1564627E-04 2.4918858E-04 4.7877504E-06 8.6617291E-07 1.0015607E-06 1.3283953E-06 2.2575459E-06 6.4782199E-06 4.1980673E-06 1.7765026E-06 4.9634597E-04 + 5.0400000E+04 2.3316169E-05 4.0593078E-04 6.3202680E-06 7.9492131E-03 2.0978529E-02 1.4481355E-01 1.7514826E-03 4.9026431E-07 2.5505116E-05 4.1520166E-05 3.3947448E-06 1.4733003E-05 1.5485418E-05 9.2901417E-06 4.2876896E-05 7.2477069E-06 7.2477069E-06 4.0853080E-07 2.8857482E-06 1.1704030E-05 1.1704030E-05 5.1923873E-05 7.8284057E-06 2.2535512E-05 1.1460670E-04 2.4701911E-04 4.6846634E-06 8.3820684E-07 9.6694210E-07 1.2840235E-06 2.1867692E-06 6.2945764E-06 4.0739150E-06 1.7137826E-06 4.8771772E-04 diff --git a/travis/new_tests/test5/modelOutput/productionRates.output b/travis/new_tests/test5/modelOutput/productionRates.output new file mode 100644 index 000000000..82712a2dc --- /dev/null +++ b/travis/new_tests/test5/modelOutput/productionRates.output @@ -0,0 +1 @@ + time speciesNumber speciesName reactionNumber rate diff --git a/travis/new_tests/test6/instantaneousRates/37800 b/travis/new_tests/test6/instantaneousRates/37800 new file mode 100644 index 000000000..8f9bb51e9 --- /dev/null +++ b/travis/new_tests/test6/instantaneousRates/37800 @@ -0,0 +1 @@ + -3.9592113415176816E-006 diff --git a/travis/new_tests/test6/instantaneousRates/39600 b/travis/new_tests/test6/instantaneousRates/39600 new file mode 100644 index 000000000..f92c804e8 --- /dev/null +++ b/travis/new_tests/test6/instantaneousRates/39600 @@ -0,0 +1 @@ + 3.9559069176568174E-006 diff --git a/travis/new_tests/test6/instantaneousRates/41400 b/travis/new_tests/test6/instantaneousRates/41400 new file mode 100644 index 000000000..7b4144492 --- /dev/null +++ b/travis/new_tests/test6/instantaneousRates/41400 @@ -0,0 +1 @@ + -3.9526052517232566E-006 diff --git a/travis/new_tests/test6/instantaneousRates/43200 b/travis/new_tests/test6/instantaneousRates/43200 new file mode 100644 index 000000000..79a9fa06d --- /dev/null +++ b/travis/new_tests/test6/instantaneousRates/43200 @@ -0,0 +1 @@ + 3.9493063414151669E-006 diff --git a/travis/new_tests/test6/instantaneousRates/45000 b/travis/new_tests/test6/instantaneousRates/45000 new file mode 100644 index 000000000..ba62c969e --- /dev/null +++ b/travis/new_tests/test6/instantaneousRates/45000 @@ -0,0 +1 @@ + -3.9460101844326785E-006 diff --git a/travis/new_tests/test6/instantaneousRates/46800 b/travis/new_tests/test6/instantaneousRates/46800 new file mode 100644 index 000000000..6d0c1614f --- /dev/null +++ b/travis/new_tests/test6/instantaneousRates/46800 @@ -0,0 +1 @@ + 3.9427167784778046E-006 diff --git a/travis/new_tests/test6/instantaneousRates/48600 b/travis/new_tests/test6/instantaneousRates/48600 new file mode 100644 index 000000000..fd4e58685 --- /dev/null +++ b/travis/new_tests/test6/instantaneousRates/48600 @@ -0,0 +1 @@ + -3.9394261212545403E-006 diff --git a/travis/new_tests/test6/instantaneousRates/50400 b/travis/new_tests/test6/instantaneousRates/50400 new file mode 100644 index 000000000..7f1fd684f --- /dev/null +++ b/travis/new_tests/test6/instantaneousRates/50400 @@ -0,0 +1 @@ + 3.9361382104686851E-006 diff --git a/travis/new_tests/test6/mechanism.fac b/travis/new_tests/test6/mechanism.fac new file mode 100644 index 000000000..ce778a6a8 --- /dev/null +++ b/travis/new_tests/test6/mechanism.fac @@ -0,0 +1,12 @@ +* Generic Rate Coefficients ; + +* Complex reactions ; + +* Peroxy radicals. ; + +RO2 = ; + +* Reaction definitions. ; +*; +* water dependence ; +% 1.20D-15*H2O : SO3 = SA ; diff --git a/travis/new_tests/test6/modelConfiguration/concentrationOutput.config b/travis/new_tests/test6/modelConfiguration/concentrationOutput.config new file mode 100644 index 000000000..3923e3cc4 --- /dev/null +++ b/travis/new_tests/test6/modelConfiguration/concentrationOutput.config @@ -0,0 +1,2 @@ +SO3 +SA diff --git a/travis/new_tests/test6/modelConfiguration/constrainedFixedSpecies.config b/travis/new_tests/test6/modelConfiguration/constrainedFixedSpecies.config new file mode 100644 index 000000000..e69de29bb diff --git a/travis/new_tests/test6/modelConfiguration/constrainedPhotoRates.config b/travis/new_tests/test6/modelConfiguration/constrainedPhotoRates.config new file mode 100644 index 000000000..e69de29bb diff --git a/travis/new_tests/test6/modelConfiguration/constrainedSpecies.config b/travis/new_tests/test6/modelConfiguration/constrainedSpecies.config new file mode 100644 index 000000000..e69de29bb diff --git a/travis/new_tests/test6/modelConfiguration/environmentVariables.config b/travis/new_tests/test6/modelConfiguration/environmentVariables.config new file mode 100644 index 000000000..ed60cfe9d --- /dev/null +++ b/travis/new_tests/test6/modelConfiguration/environmentVariables.config @@ -0,0 +1,9 @@ +1 TEMP 288 +2 PRESS 1010 +3 RH 42 +5 H2O CALC +5 DEC 0.41 +6 BLHEIGHT NOTUSED +7 DILUTE NOTUSED +8 JFAC NOTUSED +9 ROOFOPEN ON diff --git a/travis/new_tests/test6/modelConfiguration/initialConcentrations.config b/travis/new_tests/test6/modelConfiguration/initialConcentrations.config new file mode 100644 index 000000000..6996cfed2 --- /dev/null +++ b/travis/new_tests/test6/modelConfiguration/initialConcentrations.config @@ -0,0 +1 @@ +SO3 3.6e9 diff --git a/travis/new_tests/test6/modelConfiguration/lossRatesOutput.config b/travis/new_tests/test6/modelConfiguration/lossRatesOutput.config new file mode 100644 index 000000000..e69de29bb diff --git a/travis/new_tests/test6/modelConfiguration/model.parameters b/travis/new_tests/test6/modelConfiguration/model.parameters new file mode 100644 index 000000000..a4019899d --- /dev/null +++ b/travis/new_tests/test6/modelConfiguration/model.parameters @@ -0,0 +1,13 @@ +16 number of steps +900 step size (seconds) +2 species interpolation method (pw constant = 1, pw linear = 2) +2 conditions interpolation method (pw constant = 1, pw linear = 2) +1800 rates output step size (seconds) +36000 model start time (seconds) +0 jacobian output step size (seconds) +51.51 latitude (degrees) +0.13 longitude (degrees) +21 day +06 month +2010 year +1800 instantaneous rates output step size (seconds) diff --git a/travis/new_tests/test6/modelConfiguration/photolysisRates.config b/travis/new_tests/test6/modelConfiguration/photolysisRates.config new file mode 100644 index 000000000..ab1051fa2 --- /dev/null +++ b/travis/new_tests/test6/modelConfiguration/photolysisRates.config @@ -0,0 +1,36 @@ + J L M N name transmissionFactor + 1 6.073D-05 1.743 0.474 J1 1 + 2 4.775D-04 0.298 0.080 J2 1 + 3 1.041D-05 0.723 0.279 J3 1 + 4 1.165D-02 0.244 0.267 J4 1 + 5 2.485D-02 0.168 0.108 J5 1 + 6 1.747D-01 0.155 0.125 J6 1 + 7 2.644D-03 0.261 0.288 J7 1 + 8 9.312D-07 1.230 0.307 J8 1 + 11 4.642D-05 0.762 0.353 J11 1 + 12 6.853D-05 0.477 0.323 J12 1 + 13 7.344D-06 1.202 0.417 J13 1 + 14 2.879D-05 1.067 0.358 J14 1 + 15 2.792D-05 0.805 0.338 J15 1 + 16 1.675D-05 0.805 0.338 J16 1 + 17 7.914D-05 0.764 0.364 J17 1 + 18 1.140D-05 0.396 0.298 J18 1 + 19 1.140D-05 0.396 0.298 J19 1 + 21 7.992D-07 1.578 0.271 J21 1 + 22 5.804D-06 1.092 0.377 J22 1 + 23 1.836D-05 0.395 0.296 J23 1 + 24 1.836D-05 0.395 0.296 J24 1 + 31 6.845D-05 0.130 0.201 J31 1 + 32 1.032D-05 0.130 0.201 J32 1 + 33 3.802D-05 0.644 0.312 J33 1 + 34 1.537D-04 0.170 0.208 J34 1 + 35 3.326D-04 0.148 0.215 J35 1 + 41 7.649D-06 0.682 0.279 J41 1 + 51 1.588D-06 1.154 0.318 J51 1 + 52 1.907D-06 1.244 0.335 J52 1 + 53 2.485D-06 1.196 0.328 J53 1 + 54 4.095D-06 1.111 0.316 J54 1 + 55 1.135D-05 0.974 0.309 J55 1 + 56 7.549D-06 1.015 0.324 J56 1 + 57 3.363D-06 1.296 0.322 J57 1 + 61 7.537D-04 0.499 0.266 J61 1 diff --git a/travis/new_tests/test6/modelConfiguration/productionRatesOutput.config b/travis/new_tests/test6/modelConfiguration/productionRatesOutput.config new file mode 100644 index 000000000..e69de29bb diff --git a/travis/new_tests/test6/modelConfiguration/solver.parameters b/travis/new_tests/test6/modelConfiguration/solver.parameters new file mode 100644 index 000000000..e1ce01a54 --- /dev/null +++ b/travis/new_tests/test6/modelConfiguration/solver.parameters @@ -0,0 +1,9 @@ +1.0e-03 atol +1.0e-04 rtol +1.0e-04 delta main +100 lookback +100 maximum solver step size (seconds) +100000 maximum number of steps in solver +2 solver type (1 = spgmr, 2 = spgmr + banded preconditioner, 3 = dense) +750 banded preconditioner upper bandwidth +750 banded preconditioner lower bandwidth diff --git a/travis/new_tests/test6/modelOutput/concentration.output b/travis/new_tests/test6/modelOutput/concentration.output new file mode 100644 index 000000000..d3dc762f8 --- /dev/null +++ b/travis/new_tests/test6/modelOutput/concentration.output @@ -0,0 +1,18 @@ + t SO3 SA + 3.6000000E+04 3.6000000E+09 0.0000000E+00 + 3.6900000E+04 4.9448253E-09 3.6000000E+09 + 3.7800000E+04 0.0000000E+00 3.6000000E+09 + 3.8700000E+04 0.0000000E+00 3.6000000E+09 + 3.9600000E+04 1.3412233E-08 3.6000000E+09 + 4.0500000E+04 4.9365746E-09 3.6000000E+09 + 4.1400000E+04 0.0000000E+00 3.6000000E+09 + 4.2300000E+04 0.0000000E+00 3.6000000E+09 + 4.3200000E+04 1.3389855E-08 3.6000000E+09 + 4.4100000E+04 4.9283378E-09 3.6000000E+09 + 4.5000000E+04 0.0000000E+00 3.6000000E+09 + 4.5900000E+04 0.0000000E+00 3.6000000E+09 + 4.6800000E+04 1.3367513E-08 3.6000000E+09 + 4.7700000E+04 4.9201147E-09 3.6000000E+09 + 4.8600000E+04 0.0000000E+00 3.6000000E+09 + 4.9500000E+04 0.0000000E+00 3.6000000E+09 + 5.0400000E+04 1.3345209E-08 3.6000000E+09 diff --git a/travis/new_tests/test6/modelOutput/envVar.output b/travis/new_tests/test6/modelOutput/envVar.output new file mode 100644 index 000000000..182abfc55 --- /dev/null +++ b/travis/new_tests/test6/modelOutput/envVar.output @@ -0,0 +1,17 @@ + t M TEMP PRESS RH H2O DEC BLHEIGHT DILUTE JFAC ROOFOPEN RO2 + 3.6900000E+04 2.5400700E+19 2.8800000E+02 1.0100000E+03 4.2000000E+01 1.7964821E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 3.7800000E+04 2.5400700E+19 2.8800000E+02 1.0100000E+03 4.2000000E+01 1.7964821E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 3.8700000E+04 2.5400700E+19 2.8800000E+02 1.0100000E+03 4.2000000E+01 1.7964821E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 3.9600000E+04 2.5400700E+19 2.8800000E+02 1.0100000E+03 4.2000000E+01 1.7964821E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.0500000E+04 2.5400700E+19 2.8800000E+02 1.0100000E+03 4.2000000E+01 1.7964821E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.1400000E+04 2.5400700E+19 2.8800000E+02 1.0100000E+03 4.2000000E+01 1.7964821E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.2300000E+04 2.5400700E+19 2.8800000E+02 1.0100000E+03 4.2000000E+01 1.7964821E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.3200000E+04 2.5400700E+19 2.8800000E+02 1.0100000E+03 4.2000000E+01 1.7964821E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.4100000E+04 2.5400700E+19 2.8800000E+02 1.0100000E+03 4.2000000E+01 1.7964821E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.5000000E+04 2.5400700E+19 2.8800000E+02 1.0100000E+03 4.2000000E+01 1.7964821E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.5900000E+04 2.5400700E+19 2.8800000E+02 1.0100000E+03 4.2000000E+01 1.7964821E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.6800000E+04 2.5400700E+19 2.8800000E+02 1.0100000E+03 4.2000000E+01 1.7964821E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.7700000E+04 2.5400700E+19 2.8800000E+02 1.0100000E+03 4.2000000E+01 1.7964821E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.8600000E+04 2.5400700E+19 2.8800000E+02 1.0100000E+03 4.2000000E+01 1.7964821E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 4.9500000E+04 2.5400700E+19 2.8800000E+02 1.0100000E+03 4.2000000E+01 1.7964821E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 + 5.0400000E+04 2.5400700E+19 2.8800000E+02 1.0100000E+03 4.2000000E+01 1.7964821E+17 4.1000000E-01 -1.0000000E+00 -1.0000000E+00 1.0000000E+00 1.0000000E+00 0.0000000E+00 diff --git a/travis/new_tests/test6/modelOutput/errors.output b/travis/new_tests/test6/modelOutput/errors.output new file mode 100644 index 000000000..5dfb20c54 --- /dev/null +++ b/travis/new_tests/test6/modelOutput/errors.output @@ -0,0 +1,2 @@ +Number of fixed constrained species: 0 +Total number of constrained species: 0 diff --git a/travis/new_tests/test6/modelOutput/finalModelState.output b/travis/new_tests/test6/modelOutput/finalModelState.output new file mode 100644 index 000000000..127a937e9 --- /dev/null +++ b/travis/new_tests/test6/modelOutput/finalModelState.output @@ -0,0 +1,2 @@ + SO3 1.3345208991285409E-008 + SA 3599999999.9999967 diff --git a/travis/new_tests/test6/modelOutput/initialConditionsSetting.output b/travis/new_tests/test6/modelOutput/initialConditionsSetting.output new file mode 100644 index 000000000..36b996e9f --- /dev/null +++ b/travis/new_tests/test6/modelOutput/initialConditionsSetting.output @@ -0,0 +1 @@ +match, m = k = SO3 concentration = 3.600E+09 diff --git a/travis/new_tests/test6/modelOutput/jacobian.output b/travis/new_tests/test6/modelOutput/jacobian.output new file mode 100644 index 000000000..e69de29bb diff --git a/travis/new_tests/test6/modelOutput/lossRates.output b/travis/new_tests/test6/modelOutput/lossRates.output new file mode 100644 index 000000000..82712a2dc --- /dev/null +++ b/travis/new_tests/test6/modelOutput/lossRates.output @@ -0,0 +1 @@ + time speciesNumber speciesName reactionNumber rate diff --git a/travis/new_tests/test6/modelOutput/mainSolverParameters.output b/travis/new_tests/test6/modelOutput/mainSolverParameters.output new file mode 100644 index 000000000..aa137a7d3 --- /dev/null +++ b/travis/new_tests/test6/modelOutput/mainSolverParameters.output @@ -0,0 +1,17 @@ + t currentStepSize previousStepSize LENRW LENIW NST NFE NETF NCFN NNI NSETUPS QU QCUR NOR LENRWLS LENIWLS LS_FLAG NFELS NJTV NPE NPS NLI NCFL + 3.69E+04 1.000000000E+02 1.000000000E+02 109 50 183 204 1 0 203 32 1 1 0 10611 105 0 178 178 3 361 178 0 + 3.78E+04 1.000000000E+02 1.000000000E+02 109 50 192 213 1 0 212 32 1 1 0 10611 105 0 182 182 3 374 182 0 + 3.87E+04 1.000000000E+02 1.000000000E+02 109 50 201 222 1 0 221 33 1 1 0 10611 105 0 187 187 4 388 187 0 + 3.96E+04 1.000000000E+02 1.000000000E+02 109 50 210 231 1 0 230 33 1 1 0 10611 105 0 191 191 4 401 191 0 + 4.05E+04 1.000000000E+02 1.000000000E+02 109 50 219 240 1 0 239 34 1 1 0 10611 105 0 196 196 4 415 196 0 + 4.14E+04 1.000000000E+02 1.000000000E+02 109 50 228 249 1 0 248 34 1 1 0 10611 105 0 200 200 4 428 200 0 + 4.23E+04 1.000000000E+02 1.000000000E+02 109 50 237 258 1 0 257 35 1 1 0 10611 105 0 205 205 4 442 205 0 + 4.32E+04 1.000000000E+02 1.000000000E+02 109 50 246 267 1 0 266 35 1 1 0 10611 105 0 209 209 4 455 209 0 + 4.41E+04 1.000000000E+02 1.000000000E+02 109 50 255 276 1 0 275 36 1 1 0 10611 105 0 214 214 5 469 214 0 + 4.50E+04 1.000000000E+02 1.000000000E+02 109 50 264 285 1 0 284 36 1 1 0 10611 105 0 218 218 5 482 218 0 + 4.59E+04 1.000000000E+02 1.000000000E+02 109 50 273 294 1 0 293 36 1 1 0 10611 105 0 223 223 5 496 223 0 + 4.68E+04 1.000000000E+02 1.000000000E+02 109 50 282 303 1 0 302 37 1 1 0 10611 105 0 227 227 5 509 227 0 + 4.77E+04 1.000000000E+02 1.000000000E+02 109 50 291 312 1 0 311 37 1 1 0 10611 105 0 232 232 5 523 232 0 + 4.86E+04 1.000000000E+02 1.000000000E+02 109 50 300 321 1 0 320 38 1 1 0 10611 105 0 236 236 5 536 236 0 + 4.95E+04 1.000000000E+02 1.000000000E+02 109 50 309 330 1 0 329 38 1 1 0 10611 105 0 241 241 5 550 241 0 + 5.04E+04 1.000000000E+02 1.000000000E+02 109 50 318 339 1 0 338 39 1 1 0 10611 105 0 245 245 6 563 245 0 diff --git a/travis/new_tests/test6/modelOutput/photoRateCalcParameters.output b/travis/new_tests/test6/modelOutput/photoRateCalcParameters.output new file mode 100644 index 000000000..fe2e0560a --- /dev/null +++ b/travis/new_tests/test6/modelOutput/photoRateCalcParameters.output @@ -0,0 +1,17 @@ + t latitude longitude secx cosx lha sinld cosld theta eqtime + 3.6000000E+04 5.1510000E+01 1.3000000E-01 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 0.0000000E+00 + 3.6900000E+04 5.1510000E+01 1.3000000E-01 1.2163477E+00 8.2213332E-01 -4.6521304E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 3.7800000E+04 5.1510000E+01 1.3000000E-01 1.1936185E+00 8.3778864E-01 -3.9976319E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 3.8700000E+04 5.1510000E+01 1.3000000E-01 1.1748225E+00 8.5119244E-01 -3.3431335E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 3.9600000E+04 5.1510000E+01 1.3000000E-01 1.1597062E+00 8.6228733E-01 -2.6886350E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.0500000E+04 5.1510000E+01 1.3000000E-01 1.1480716E+00 8.7102579E-01 -2.0341365E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.1400000E+04 5.1510000E+01 1.3000000E-01 1.1397695E+00 8.7737042E-01 -1.3796381E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.2300000E+04 5.1510000E+01 1.3000000E-01 1.1346951E+00 8.8129403E-01 -7.2513959E-02 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.3200000E+04 5.1510000E+01 1.3000000E-01 1.1327853E+00 8.8277983E-01 -7.0641117E-03 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.4100000E+04 5.1510000E+01 1.3000000E-01 1.1340164E+00 8.8182146E-01 5.8385735E-02 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.5000000E+04 5.1510000E+01 1.3000000E-01 1.1384037E+00 8.7842301E-01 1.2383558E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.5900000E+04 5.1510000E+01 1.3000000E-01 1.1460017E+00 8.7259905E-01 1.8928543E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.6800000E+04 5.1510000E+01 1.3000000E-01 1.1569059E+00 8.6437451E-01 2.5473528E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.7700000E+04 5.1510000E+01 1.3000000E-01 1.1712556E+00 8.5378461E-01 3.2018512E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.8600000E+04 5.1510000E+01 1.3000000E-01 1.1892378E+00 8.4087470E-01 3.8563497E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 + 4.9500000E+04 5.1510000E+01 1.3000000E-01 1.2110935E+00 8.2570005E-01 4.5108482E-01 3.1199822E-01 5.7079586E-01 2.9608435E+00 -6.7520284E-03 diff --git a/travis/new_tests/test6/modelOutput/photolysisRates.output b/travis/new_tests/test6/modelOutput/photolysisRates.output new file mode 100644 index 000000000..f30b1424b --- /dev/null +++ b/travis/new_tests/test6/modelOutput/photolysisRates.output @@ -0,0 +1,17 @@ + t J1 J2 J3 J4 J5 J6 J7 J8 J11 J12 J13 J14 J15 J16 J17 J18 J19 J21 J22 J23 J24 J31 J32 J33 J34 J35 J41 J51 J52 J53 J54 J55 J56 J57 J61 + 3.6900000E+04 2.4252452E-05 4.0866356E-04 6.4353380E-06 8.0265378E-03 2.1085570E-02 1.4557182E-01 1.7698012E-03 5.0378848E-07 2.6026621E-05 4.2138826E-05 3.4947145E-06 1.5113687E-05 1.5808635E-05 9.4840486E-06 4.3765087E-05 7.3418001E-06 7.3418001E-06 4.2196629E-07 2.9627358E-06 1.1855284E-05 1.1855284E-05 5.2256109E-05 7.8784959E-06 2.2930839E-05 1.1543497E-04 2.4874782E-04 4.7666434E-06 8.6041776E-07 9.9442964E-07 1.3192597E-06 2.2429870E-06 6.4404973E-06 4.1725524E-06 1.7635774E-06 4.9458321E-04 + 3.7800000E+04 2.5334575E-05 4.1171519E-04 6.5652065E-06 8.1126504E-03 2.1204485E-02 1.4641346E-01 1.7902165E-03 5.1922442E-07 2.6616122E-05 4.2833002E-05 3.6089016E-06 1.5546958E-05 1.6174303E-05 9.7034231E-06 4.4769244E-05 7.4471189E-06 7.4471189E-06 4.3740139E-07 3.0504243E-06 1.2024575E-05 1.2024575E-05 5.2624280E-05 7.9340039E-06 2.3376288E-05 1.1635453E-04 2.5066519E-04 4.8590773E-06 8.8573177E-07 1.0258220E-06 1.3594585E-06 2.3070001E-06 6.6061559E-06 4.2846482E-06 1.8204978E-06 5.0228825E-04 + 3.8700000E+04 2.6278338E-05 4.1428970E-04 6.6758984E-06 8.1851049E-03 2.1304307E-02 1.4711937E-01 1.8074057E-03 5.3252488E-07 2.7119333E-05 4.3421344E-05 3.7073599E-06 1.5919261E-05 1.6486701E-05 9.8908397E-06 4.5626543E-05 7.5361686E-06 7.5361686E-06 4.5078551E-07 3.1258288E-06 1.2167710E-05 1.2167710E-05 5.2932580E-05 7.9804853E-06 2.3755364E-05 1.1712593E-04 2.5227214E-04 4.9377888E-06 9.0751312E-07 1.0528873E-06 1.3940803E-06 2.3620309E-06 6.7481581E-06 4.3808327E-06 1.8696157E-06 5.0881995E-04 + 3.9600000E+04 2.7071525E-05 4.1639485E-04 6.7671789E-06 8.2442165E-03 2.1385593E-02 1.4769378E-01 1.8214375E-03 5.4359211E-07 2.7534810E-05 4.3904242E-05 3.7893319E-06 1.6228344E-05 1.6744810E-05 1.0045686E-05 4.6334461E-05 7.6091150E-06 7.6091150E-06 4.6198098E-07 3.1884662E-06 1.2284957E-05 1.2284957E-05 5.3183113E-05 8.0182575E-06 2.4067554E-05 1.1775373E-04 2.5357891E-04 5.0026469E-06 9.2561616E-07 1.0754190E-06 1.4228780E-06 2.4077346E-06 6.8658106E-06 4.4605900E-06 1.9105362E-06 5.1418203E-04 + 4.0500000E+04 2.7703866E-05 4.1803681E-04 6.8388555E-06 8.2902376E-03 2.1448784E-02 1.4814008E-01 1.8323668E-03 5.5234516E-07 2.7861376E-05 4.4282012E-05 3.8541912E-06 1.6472349E-05 1.6947794E-05 1.0167463E-05 4.6890937E-05 7.6660912E-06 7.6660912E-06 4.7087269E-07 3.2379388E-06 1.2376532E-05 1.2376532E-05 5.3377552E-05 8.0475724E-06 2.4312438E-05 1.1824155E-04 2.5459366E-04 5.0535444E-06 9.3992049E-07 1.0932460E-06 1.4456471E-06 2.4438266E-06 6.9585429E-06 4.5234951E-06 1.9429315E-06 5.1837742E-04 + 4.1400000E+04 2.8167177E-05 4.1922026E-04 6.8907780E-06 8.3233614E-03 2.1494216E-02 1.4846081E-01 1.8402358E-03 5.5872023E-07 2.8098111E-05 4.4554897E-05 3.9014447E-06 1.6649818E-05 1.7095004E-05 1.0255778E-05 4.7294371E-05 7.7072000E-06 7.7072000E-06 4.7736923E-07 3.2739338E-06 1.2442604E-05 1.2442604E-05 5.3517169E-05 8.0686221E-06 2.4489693E-05 1.1859214E-04 2.5532261E-04 5.0903974E-06 9.5033138E-07 1.1062335E-06 1.4622266E-06 2.4700833E-06 7.0259079E-06 4.5692149E-06 1.9665430E-06 5.2140837E-04 + 4.2300000E+04 2.8455457E-05 4.1994850E-04 6.9228381E-06 8.3437252E-03 2.1522126E-02 1.4865778E-01 1.8450747E-03 5.6267096E-07 2.8244357E-05 4.4723070E-05 3.9307346E-06 1.6759695E-05 1.7185970E-05 1.0310351E-05 4.7543608E-05 7.7325144E-06 7.7325144E-06 4.8140385E-07 3.2962249E-06 1.2483289E-05 1.2483289E-05 5.3602865E-05 8.0815423E-06 2.4599081E-05 1.1880746E-04 2.5577017E-04 5.1131455E-06 9.5678011E-07 1.1142836E-06 1.4724996E-06 2.4863424E-06 7.0675824E-06 4.5975083E-06 1.9811826E-06 5.2327645E-04 + 4.3200000E+04 2.8564975E-05 4.2022356E-04 6.9349687E-06 8.3514128E-03 2.1532659E-02 1.4873211E-01 1.8469016E-03 5.6416867E-07 2.8299707E-05 4.4786639E-05 3.9418395E-06 1.6801329E-05 1.7220403E-05 1.0331008E-05 4.7637939E-05 7.7420792E-06 7.7420792E-06 4.8293508E-07 3.3046723E-06 1.2498661E-05 1.2498661E-05 5.3635190E-05 8.0864158E-06 2.4640459E-05 1.1888871E-04 2.5593901E-04 5.1217513E-06 9.5922420E-07 1.1173357E-06 1.4763938E-06 2.4925037E-06 7.0833666E-06 4.6082263E-06 1.9867338E-06 5.2398260E-04 + 4.4100000E+04 2.8494311E-05 4.2004619E-04 6.9271448E-06 8.3464556E-03 2.1525867E-02 1.4868418E-01 1.8457235E-03 5.6320251E-07 2.8264007E-05 4.4745643E-05 3.9346757E-06 1.6774473E-05 1.7198194E-05 1.0317684E-05 4.7577097E-05 7.7359110E-06 7.7359110E-06 4.8194719E-07 3.2992232E-06 1.2488748E-05 1.2488748E-05 5.3614348E-05 8.0832735E-06 2.4613772E-05 1.1883632E-04 2.5583014E-04 5.1162009E-06 9.5764758E-07 1.1153668E-06 1.4738817E-06 2.4885292E-06 7.0731852E-06 4.6013127E-06 1.9831527E-06 5.2352719E-04 + 4.5000000E+04 2.8244382E-05 4.1941589E-04 6.8993826E-06 8.3288335E-03 2.1501718E-02 1.4851375E-01 1.8415360E-03 5.5977948E-07 2.8137357E-05 4.4600057E-05 3.9092973E-06 1.6679286E-05 1.7119413E-05 1.0270422E-05 4.7361253E-05 7.7139992E-06 7.7139992E-06 4.7845033E-07 3.2799115E-06 1.2453531E-05 1.2453531E-05 5.3540207E-05 8.0720954E-06 2.4519056E-05 1.1865001E-04 2.5544292E-04 5.0965033E-06 9.5206061E-07 1.1083917E-06 1.4649811E-06 2.4744436E-06 7.0370869E-06 4.5768038E-06 1.9704675E-06 5.2191000E-04 + 4.5900000E+04 2.7818424E-05 4.1833094E-04 6.8517399E-06 8.2984738E-03 2.1460085E-02 1.4821986E-01 1.8343232E-03 5.5392442E-07 2.7920107E-05 4.4349788E-05 3.8658959E-06 1.6516332E-05 1.6984311E-05 1.0189370E-05 4.6991023E-05 7.6763051E-06 7.6763051E-06 4.7248043E-07 3.2468585E-06 1.2392948E-05 1.2392948E-05 5.3412293E-05 8.0528103E-06 2.4356434E-05 1.1832876E-04 2.5477502E-04 5.0626907E-06 9.4250009E-07 1.0964630E-06 1.4497546E-06 2.4503334E-06 6.9752444E-06 4.5348285E-06 1.9487793E-06 5.1913018E-04 + 4.6800000E+04 2.7221950E-05 4.1678831E-04 6.7843161E-06 8.2552512E-03 2.1400752E-02 1.4780086E-01 1.8240576E-03 5.4567988E-07 2.7612864E-05 4.3994677E-05 3.8047999E-06 1.6286580E-05 1.6793317E-05 1.0074787E-05 4.6467462E-05 7.6227617E-06 7.6227617E-06 4.6409885E-07 3.2002718E-06 1.2306891E-05 1.2306891E-05 5.3229783E-05 8.0252938E-06 2.4126124E-05 1.1787077E-04 2.5382243E-04 5.0148186E-06 9.2902908E-07 1.0796705E-06 1.4283094E-06 2.4163476E-06 6.8879544E-06 4.4756080E-06 1.9182606E-06 5.1518631E-04 + 4.7700000E+04 2.6462685E-05 4.1478361E-04 6.6972526E-06 8.1989846E-03 2.1323406E-02 1.4725436E-01 1.8106998E-03 5.3510593E-07 2.7216489E-05 4.3534496E-05 3.7264734E-06 1.5991401E-05 1.6547043E-05 9.9270407E-06 4.5792077E-05 7.5532729E-06 7.5532729E-06 4.5339174E-07 3.1404454E-06 1.2195202E-05 1.2195202E-05 5.2991486E-05 7.9893664E-06 2.3828431E-05 1.1727346E-04 2.5257931E-04 4.9529658E-06 9.1173673E-07 1.0581412E-06 1.4007972E-06 2.3726967E-06 6.7756372E-06 4.3994556E-06 1.8791550E-06 5.1007631E-04 + 4.8600000E+04 2.5550456E-05 4.1231102E-04 6.5907325E-06 8.1294348E-03 2.1227628E-02 1.4657717E-01 1.7941975E-03 5.2227984E-07 2.6732104E-05 4.2968946E-05 3.6315142E-06 1.5632567E-05 1.6246284E-05 9.7466069E-06 4.4966826E-05 7.4677122E-06 7.4677122E-06 4.4046917E-07 3.0677589E-06 1.2057676E-05 1.2057676E-05 5.2695818E-05 7.9447896E-06 2.3463753E-05 1.1653341E-04 2.5103796E-04 4.8772345E-06 8.9073792E-07 1.0320383E-06 1.3674132E-06 2.3196521E-06 6.6388367E-06 4.3067766E-06 1.8317755E-06 5.0379737E-04 + 4.9500000E+04 2.4497073E-05 4.0936313E-04 6.4649815E-06 8.0463005E-03 2.1112888E-02 1.4576524E-01 1.7744851E-03 5.0729577E-07 2.6161093E-05 4.2297652E-05 3.5206518E-06 1.5212247E-05 1.5892020E-05 9.5340735E-06 4.3994133E-05 7.3659210E-06 7.3659210E-06 4.2546406E-07 2.9826769E-06 1.1894057E-05 1.1894057E-05 5.2340773E-05 7.8912605E-06 2.3032584E-05 1.1564627E-04 2.4918858E-04 4.7877504E-06 8.6617290E-07 1.0015607E-06 1.3283952E-06 2.2575459E-06 6.4782198E-06 4.1980672E-06 1.7765026E-06 4.9634597E-04 + 5.0400000E+04 2.3316169E-05 4.0593078E-04 6.3202680E-06 7.9492131E-03 2.0978529E-02 1.4481355E-01 1.7514826E-03 4.9026430E-07 2.5505116E-05 4.1520166E-05 3.3947448E-06 1.4733003E-05 1.5485418E-05 9.2901417E-06 4.2876896E-05 7.2477068E-06 7.2477068E-06 4.0853079E-07 2.8857482E-06 1.1704030E-05 1.1704030E-05 5.1923873E-05 7.8284057E-06 2.2535512E-05 1.1460670E-04 2.4701911E-04 4.6846633E-06 8.3820683E-07 9.6694208E-07 1.2840234E-06 2.1867692E-06 6.2945763E-06 4.0739150E-06 1.7137826E-06 4.8771771E-04 diff --git a/travis/new_tests/test6/modelOutput/productionRates.output b/travis/new_tests/test6/modelOutput/productionRates.output new file mode 100644 index 000000000..82712a2dc --- /dev/null +++ b/travis/new_tests/test6/modelOutput/productionRates.output @@ -0,0 +1 @@ + time speciesNumber speciesName reactionNumber rate