From a85279c0154eae147eb18310d6fac8cfb823e7fc Mon Sep 17 00:00:00 2001 From: Harry Moffat Date: Wed, 12 Sep 2007 22:02:08 +0000 Subject: [PATCH] Cutoff low values so that comparisons pass between machines --- .../multiGasTransport/multiGasTransport.cpp | 20 ++- .../multiGasTransport/output_blessed.txt | 124 +++++++++--------- 2 files changed, 77 insertions(+), 67 deletions(-) diff --git a/test_problems/multiGasTransport/multiGasTransport.cpp b/test_problems/multiGasTransport/multiGasTransport.cpp index cc2d5de62..a665ce96b 100644 --- a/test_problems/multiGasTransport/multiGasTransport.cpp +++ b/test_problems/multiGasTransport/multiGasTransport.cpp @@ -41,13 +41,20 @@ using namespace std; using namespace Cantera; void printDbl(double val) { - if (fabs(val) < 5.0E-17) { + if (fabs(val) < 1.0E-17) { cout << " nil"; } else { cout << val; } } +static double cutoff (double val, double atol=1.0E-15) { + if (fabs(val) < atol) { + return 0.0; + } + return val; +} + int main(int argc, char** argv) { int k; string infile = "diamond.xml"; @@ -186,7 +193,8 @@ int main(int argc, char** argv) { printf(" Dump of the Thermal Diffusivities :\n"); for (k = 0; k < nsp; k++) { string sss = g.speciesName(k); - printf(" %15s %13.5g\n", sss.c_str(), thermDiff[k]); + double ddd = cutoff(thermDiff[k]); + printf(" %15s %13.5g\n", sss.c_str(), ddd); } printf("Viscoscity and thermal Cond vs. T\n"); @@ -230,13 +238,15 @@ int main(int argc, char** argv) { double max2 = 0.0; for (k = 0; k < nsp; k++) { string sss = g.speciesName(k); - printf(" %15s %13.5g %13.5g\n", sss.c_str(), fluxes(k,0), fluxes(k,1)); + double ddd = cutoff(fluxes(k,0)); + double eee = cutoff(fluxes(k,1)); + printf(" %15s %13.5g %13.5g\n", sss.c_str(), ddd, eee); sum1 += fluxes(k,0); - if (fabs(fluxes(k,0) > max1)) { + if (fabs(fluxes(k,0)) > max1) { max1 = fabs(fluxes(k,0)); } sum2 += fluxes(k,1); - if (fabs(fluxes(k,1) > max2)) { + if (fabs(fluxes(k,1)) > max2) { max2 = fabs(fluxes(k,0)); } } diff --git a/test_problems/multiGasTransport/output_blessed.txt b/test_problems/multiGasTransport/output_blessed.txt index b114a2770..ea704ce62 100644 --- a/test_problems/multiGasTransport/output_blessed.txt +++ b/test_problems/multiGasTransport/output_blessed.txt @@ -113,53 +113,53 @@ O2 2.9826e-15 OH -2.8782e-11 H2O -8.6999e-07 - HO2 2.9475e-18 - H2O2 2.4422e-17 - C -5.3516e-22 - CH -6.1047e-22 - CH2 -1.2322e-19 - CH2(S) -4.3658e-21 - CH3 -2.61e-16 + HO2 0 + H2O2 0 + C 0 + CH 0 + CH2 0 + CH2(S) 0 + CH3 0 CH4 -3.2329e-14 CO 7.5984e-07 CO2 7.0425e-07 HCO 7.2002e-14 CH2O 1.206e-13 - CH2OH 8.7283e-19 - CH3O 8.3686e-21 - CH3OH 1.4224e-17 - C2H -2.0912e-22 - C2H2 1.0948e-18 - C2H3 1.1969e-22 - C2H4 1.5341e-20 - C2H5 -1.8899e-22 - C2H6 8.0324e-23 - HCCO 1.5491e-20 - CH2CO 8.4812e-18 - HCCOH 9.805e-22 - N -4.407e-17 - NH -4.9452e-16 + CH2OH 0 + CH3O 0 + CH3OH 0 + C2H 0 + C2H2 0 + C2H3 0 + C2H4 0 + C2H5 0 + C2H6 0 + HCCO 0 + CH2CO 0 + HCCOH 0 + N 0 + NH 0 NH2 -2.0983e-14 NH3 -1.208e-11 - NNH 3.6354e-16 + NNH 0 NO 5.2094e-13 - NO2 2.5505e-19 - N2O 6.5745e-17 - HNO 7.7863e-17 - CN 2.1289e-18 + NO2 0 + N2O 0 + HNO 0 + CN 0 HCN 6.0686e-13 - H2CN 3.2947e-19 - HCNN -1.9632e-21 - HCNO 2.8188e-21 - HOCN 5.5133e-16 + H2CN 0 + HCNN 0 + HCNO 0 + HOCN 0 HNCO 8.851e-13 - NCO 8.2058e-17 + NCO 0 N2 1.1568e-06 - AR 1.1368e-22 - C3H7 4.4615e-23 - C3H8 -1.5971e-22 - CH2CHO 3.1949e-22 - CH3CHO 3.5976e-21 + AR 0 + C3H7 0 + C3H8 0 + CH2CHO 0 + CH3CHO 0 Viscoscity and thermal Cond vs. T 400 1.9759e-05 0.063366 500 2.3573e-05 0.075886 @@ -286,53 +286,53 @@ Binary Diffusion Coefficients H2 vs species O2 4.4764e-13 4.3823e-13 OH 3.4017e-09 3.4061e-09 H2O 1.7507e-05 3.1389e-05 - HO2 3.7974e-16 3.7115e-16 + HO2 0 0 H2O2 3.0116e-15 2.9421e-15 - C 2.4382e-21 2.464e-21 - CH 2.6835e-20 2.6825e-20 - CH2 1.2328e-17 1.232e-17 - CH2(S) 4.2716e-19 4.2709e-19 + C 0 0 + CH 0 0 + CH2 0 0 + CH2(S) 0 0 CH3 3.0594e-14 3.0518e-14 CH4 4.0423e-12 4.0311e-12 CO 4.2351e-05 1.3798e-05 CO2 -9.6117e-06 -2.1996e-05 HCO 1.1937e-11 1.1691e-11 CH2O 1.8246e-11 1.7856e-11 - CH2OH 1.1867e-16 1.1612e-16 - CH3O 1.2045e-18 1.179e-18 + CH2OH 0 0 + CH3O 0 0 CH3OH 1.6941e-15 1.6538e-15 - C2H 8.5585e-22 6.5125e-22 - C2H2 2.2129e-16 2.1663e-16 - C2H3 5.884e-21 5.6232e-21 - C2H4 2.3822e-18 2.3281e-18 - C2H5 6.223e-22 2.5991e-22 - C2H6 9.1348e-22 1.0591e-21 - HCCO 2.4162e-18 2.3733e-18 - CH2CO 5.2646e-16 5.0816e-16 - HCCOH 6.9269e-20 6.6872e-20 + C2H 0 0 + C2H2 0 0 + C2H3 0 0 + C2H4 0 0 + C2H5 0 0 + C2H6 0 0 + HCCO 0 0 + CH2CO 0 0 + HCCOH 0 0 N 3.6829e-15 3.699e-15 NH 4.3696e-14 4.3934e-14 NH2 2.0916e-12 2.0997e-12 NH3 1.6742e-09 1.6732e-09 NNH 5.8843e-14 5.7587e-14 NO 8.9545e-11 8.7725e-11 - NO2 1.6614e-17 1.6068e-17 + NO2 0 0 N2O 4.0171e-15 3.8758e-15 HNO 1.1783e-14 1.1533e-14 - CN 5.7585e-16 5.6534e-16 + CN 0 0 HCN 1.3605e-10 1.3352e-10 - H2CN 6.2428e-17 6.12e-17 - HCNN 1.0244e-20 4.4589e-21 - HCNO 1.7387e-19 1.6786e-19 + H2CN 0 0 + HCNN 0 0 + HCNO 0 0 HOCN 3.4592e-14 3.3394e-14 HNCO 5.554e-11 5.3617e-11 NCO 5.3473e-15 5.1664e-15 N2 -5.1397e-05 -2.2202e-05 - AR -2.0486e-23 -6.8287e-24 - C3H7 3.1515e-22 1.0505e-22 - C3H8 -1.8775e-22 -6.2583e-23 - CH2CHO 7.4066e-21 6.851e-21 - CH3CHO 2.2845e-19 2.206e-19 + AR 0 0 + C3H7 0 0 + C3H8 0 0 + CH2CHO 0 0 + CH3CHO 0 0 sum in x direction = 0 sum in y direction = 0 Multicomponent Diffusion Coefficients H2 vs species