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Cutoff low values so that comparisons pass between machines

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This commit is contained in:
Harry Moffat 2007-09-12 22:02:08 +00:00
parent 592167bea1
commit a85279c015
2 changed files with 77 additions and 67 deletions
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20
test_problems/multiGasTransport/multiGasTransport.cpp
View file

@ -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));
}
}

124
test_problems/multiGasTransport/output_blessed.txt
View file

@ -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