@@ -129,26 +129,27 @@ TEST( testKineticReactions, computeReactionRatesTest_carbonateSystem )
129129 3.76e-1 , // HCO3-
130130 3.87e-2 , // Ca+2
131131 3.21e-2 , // SO4-2
132- 1.89 , // Cl-
132+ 1.89 , // Cl-
133133 1.65e-2 , // Mg+2
134- 1.09 // Na+1
134+ 1.09 // Na+1
135135 };
136136
137- double const expectedReactionRates[11 ] = { -0.001424736 ,-12610.7392 ,-0.175591624 ,-473.6096 ,-269197.19999999984 ,-0.00012441275624000003 ,-18012.914999999986 ,-1.56526019999999e6 ,-346983.07769999903 ,-14247.58499999999 ,-2.316271799999999e6 };
137+ double const expectedReactionRates[11 ] = { -0.001424736 , -12610.7392 , -0.175591624 , -473.6096 , -269197.19999999984 , -0.00012441275624000003 , -18012.914999999986 , -1.56526019999999e6 ,
138+ -346983.07769999903 , -14247.58499999999 , -2.316271799999999e6 };
138139 double const expectedReactionRatesDerivatives[11 ][18 ] =
139140 {
140- { 5.264e10 ,0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0.000014 ,0 , 0 , 0 , 0 , 0 , 0 },
141- { 0 ,0.039 ,0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , -33539.2 ,-33539.2 ,0 , 0 , 0 , 0 , 0 },
142- { 0 ,0 , 3.76e9 ,0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 1 .e -6 ,-0.467 ,0 , 0 , 0 , 0 , 0 },
143- { 0 ,0 , 0 , 0.57 ,0 , 0 , 0 , 0 , 0 , 0 , 0 , -1259.6 ,-1259.6 ,0 , 0 , 0 , 0 , 0 },
144- { 0 ,0 , 0 , 0 , 1.5e6 ,0 , 0 , 0 , 0 , 0 , 0 , 0 , -715950 .,-6.956e6 ,0 , 0 , 0 , 0 },
145- { 0 ,0 , 0 , 0 , 0 , 37600 .,0 , 0 , 0 , 0 , 0 , 1 .e -11 ,-0.000330885 ,-0.0032148000000000003 ,0 , 0 , 0 , 0 },
146- { 0 ,0 , 0 , 0 , 0 , 0 , 100000 .,0 , 0 , 0 , 0 , 0 , 0 , -465449.99999999994 ,-561150 .,0 , 0 , 0 },
147- { 0 ,0 , 0 , 0 , 0 , 0 , 0 , 1 .e8 ,0 , 0 , 0 , 0 , 0 , -4.0446e7 ,0 , -828180 .,0 , 0 },
148- { 0 ,0 , 0 , 0 , 0 , 0 , 0 , 0 , 1 .e7 ,0 , 0 , 0 , 0 , -8.965971e6 ,0 , -367177.86 ,0 , 0 },
149- { 0 ,0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 100000 .,0 , 0 , 0 , 0 , -443850 .,0 , -863489.9999999999 ,0 },
150- { 0 ,0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 1 .e7 ,0 , 0 , 0 , -7.2158e7 ,0 , 0 , -2.12502e6 }
151- } ;
141+ { 5.264e10 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0.000014 , 0 , 0 , 0 , 0 , 0 , 0 },
142+ { 0 , 0.039 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , -33539.2 , -33539.2 , 0 , 0 , 0 , 0 , 0 },
143+ { 0 , 0 , 3.76e9 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 1 .e -6 , -0.467 , 0 , 0 , 0 , 0 , 0 },
144+ { 0 , 0 , 0 , 0.57 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , -1259.6 , -1259.6 , 0 , 0 , 0 , 0 , 0 },
145+ { 0 , 0 , 0 , 0 , 1.5e6 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , -715950 ., -6.956e6 , 0 , 0 , 0 , 0 },
146+ { 0 , 0 , 0 , 0 , 0 , 37600 ., 0 , 0 , 0 , 0 , 0 , 1 .e -11 , -0.000330885 , -0.0032148000000000003 , 0 , 0 , 0 , 0 },
147+ { 0 , 0 , 0 , 0 , 0 , 0 , 100000 ., 0 , 0 , 0 , 0 , 0 , 0 , -465449.99999999994 , -561150 ., 0 , 0 , 0 },
148+ { 0 , 0 , 0 , 0 , 0 , 0 , 0 , 1 .e8 , 0 , 0 , 0 , 0 , 0 , -4.0446e7 , 0 , -828180 ., 0 , 0 },
149+ { 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 1 .e7 , 0 , 0 , 0 , 0 , -8.965971e6 , 0 , -367177.86 , 0 , 0 },
150+ { 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 100000 ., 0 , 0 , 0 , 0 , -443850 ., 0 , -863489.9999999999 , 0 },
151+ { 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 0 , 1 .e7 , 0 , 0 , 0 , -7.2158e7 , 0 , 0 , -2.12502e6 }
152+ };
152153
153154 computeReactionRatesTest< double , false >( carbonateSystem,
154155 initialSpeciesConcentration,
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