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New tests #268

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29de78c
New tests
rs028 Apr 12, 2018
a76cb4d
Correct new test files
rs028 Apr 13, 2018
474ac88
Modify test 2 and 4
rs028 Apr 17, 2018
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6 changes: 0 additions & 6 deletions modelConfiguration/concentrationOutput.config
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CH3OH
C2H5OH
BUT2OL
O3
NO
NO2
OH
HO2
4 changes: 2 additions & 2 deletions modelConfiguration/environmentVariables.config
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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
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5 changes: 1 addition & 4 deletions modelConfiguration/initialConcentrations.config
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CH3OH 8.44e+09
C2H5OH 4.22e+09
BUT2OL 2.11e+09
O3 1.2e+12
NO 5.0e12
2 changes: 0 additions & 2 deletions modelConfiguration/lossRatesOutput.config
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OH
HO2
6 changes: 3 additions & 3 deletions modelConfiguration/model.parameters
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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)
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2 changes: 0 additions & 2 deletions modelConfiguration/productionRatesOutput.config
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OH
HO2
1 change: 1 addition & 0 deletions travis/new_tests/test1/instantaneousRates/37800
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89001.146993941191
1 change: 1 addition & 0 deletions travis/new_tests/test1/instantaneousRates/39600
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88044.969736776562
1 change: 1 addition & 0 deletions travis/new_tests/test1/instantaneousRates/41400
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87099.063728918802
1 change: 1 addition & 0 deletions travis/new_tests/test1/instantaneousRates/43200
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86163.853373844715
1 change: 1 addition & 0 deletions travis/new_tests/test1/instantaneousRates/45000
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85238.290681083454
1 change: 1 addition & 0 deletions travis/new_tests/test1/instantaneousRates/46800
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84322.670281577230
1 change: 1 addition & 0 deletions travis/new_tests/test1/instantaneousRates/48600
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83416.885376298946
1 change: 1 addition & 0 deletions travis/new_tests/test1/instantaneousRates/50400
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82520.830313444909
12 changes: 12 additions & 0 deletions travis/new_tests/test1/mechanism.fac
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* Generic Rate Coefficients ;

* Complex reactions ;

* Peroxy radicals. ;

RO2 = ;

* Reaction definitions. ;
*;
* unimolecular reaction ;
% 6.00D-06 : HNO3 = NA ;
2 changes: 2 additions & 0 deletions travis/new_tests/test1/modelConfiguration/concentrationOutput.config
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HNO3
NA
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9 changes: 9 additions & 0 deletions travis/new_tests/test1/modelConfiguration/environmentVariables.config
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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
1 change: 1 addition & 0 deletions travis/new_tests/test1/modelConfiguration/initialConcentrations.config
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HNO3 1.5e10
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13 changes: 13 additions & 0 deletions travis/new_tests/test1/modelConfiguration/model.parameters
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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)
36 changes: 36 additions & 0 deletions travis/new_tests/test1/modelConfiguration/photolysisRates.config
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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
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9 changes: 9 additions & 0 deletions travis/new_tests/test1/modelConfiguration/solver.parameters
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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
18 changes: 18 additions & 0 deletions travis/new_tests/test1/modelOutput/concentration.output
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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
17 changes: 17 additions & 0 deletions travis/new_tests/test1/modelOutput/envVar.output
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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
2 changes: 2 additions & 0 deletions travis/new_tests/test1/modelOutput/errors.output
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Number of fixed constrained species: 0
Total number of constrained species: 0
2 changes: 2 additions & 0 deletions travis/new_tests/test1/modelOutput/finalModelState.output
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HNO3 13758408864.430510
NA 1241591135.5694811
1 change: 1 addition & 0 deletions travis/new_tests/test1/modelOutput/initialConditionsSetting.output
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match, m = k = HNO3 concentration = 1.500E+10
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1 change: 1 addition & 0 deletions travis/new_tests/test1/modelOutput/lossRates.output
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time speciesNumber speciesName reactionNumber rate
17 changes: 17 additions & 0 deletions travis/new_tests/test1/modelOutput/mainSolverParameters.output
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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
17 changes: 17 additions & 0 deletions travis/new_tests/test1/modelOutput/photoRateCalcParameters.output
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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
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