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@@ -117,6 +117,10 @@ typedef struct { |
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realtype T0; //Initial Temperature (in K) |
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N_Vector Y0; //Initial Mass Fractions |
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realtype rho0; //initial density |
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realtype TIgnFac; //factor that determines the ignition |
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//temperature: should be anywhere between 0 and 1 where 0 corresponds to the |
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//initial temperature and 1 corresponds to adiabatic flame |
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//temperature |
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realtype TIgn; //Ignition Temperature (in K) |
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realtype tauIgn; //Ignition delay time (in s) |
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N_Vector x; //The grid |
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@@ -158,6 +162,7 @@ typedef struct { |
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int pert_index; //index of reaction whose rate is perturbed |
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bool sensitivityAnalysis;// boolean to activate perturbations for |
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//sensitivity analysis |
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bool sort; //boolean to activate sorting |
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bool sens; //if true, perform sensitivity analysis |
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FILE *output; //output file for temperature and species profiles |
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FILE *ignSensOutput; //output file for ignition sensitivities |
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@@ -293,7 +298,8 @@ int main(int argc, char *argv[]) |
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printOutput(0.0e0,y,data); |
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/* Create a CVode solver object for solution of the IVP: */ |
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mem = CVodeCreate(CV_BDF,CV_NEWTON); |
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//mem = CVodeCreate(CV_BDF,CV_NEWTON); |
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mem = CVodeCreate(CV_BDF); |
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ier=check_flag((void *)mem, "CVodeCreate", 0); |
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/*Associate the user data with the solver object: */ |
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@@ -481,7 +487,8 @@ int main(int argc, char *argv[]) |
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SUNMatrix J; |
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int mu,ml; |
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mu = data->nvar+2; ml = data->nvar+2; |
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J = SUNBandMatrix(data->KSneq, mu, ml, mu+ml); |
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//J = SUNBandMatrix(data->KSneq, mu, ml, mu+ml); |
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J = SUNBandMatrix(data->KSneq, mu, ml); |
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ier = check_flag((void *)J, "SUNBandMatrix", 0); |
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/* Create dense SUNLinearSolver object for use by KINSOL: */ |
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@@ -549,7 +556,8 @@ int main(int argc, char *argv[]) |
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SUNMatrix J; |
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int mu,ml; |
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mu = data->nvar+1; ml = data->nvar+1; |
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J = SUNBandMatrix(data->KSneq, mu, ml, mu+ml); |
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//J = SUNBandMatrix(data->KSneq, mu, ml, mu+ml); |
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J = SUNBandMatrix(data->KSneq, mu, ml); |
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ier = check_flag((void *)J, "SUNBandMatrix", 0); |
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/*Create a residue vector and two temporary vectors:*/ |
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@@ -658,14 +666,17 @@ int main(int argc, char *argv[]) |
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} |
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if(data->sensSuccess){ |
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/*Sort the sensitivities in ascending order. Note the advancing |
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* of the beginning indices of the sensCoeffs and indices |
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* arrays. This is due to the Numerical recipes convention for |
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* array indexing used in sort subroutine:*/ |
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//sort(data->nreac,sensCoeffs-1,indices-1); |
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/*Print out the sensitivities:*/ |
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printIgnSensitivities(sensCoeffs,indices,data); |
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/*Sort the sensitivities in ascending order. Note the advancing |
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* of the beginning indices of the sensCoeffs and indices |
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* arrays. This is due to the Numerical recipes convention for |
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* array indexing used in sort subroutine:*/ |
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if(data->sort){ |
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sort(data->nreac,sensCoeffs-1,indices-1); |
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} |
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/*Print out the sensitivities:*/ |
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printIgnSensitivities(sensCoeffs,indices,data); |
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} |
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N_VDestroy_Serial(scale); |
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@@ -762,6 +773,10 @@ static int parseInput(UserData data, int argc, char *argv[]){ |
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data->IVPSuccess=false; |
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data->BVPSuccess=false; |
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data->sensSuccess=false; |
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/*TIgnFac:*/ |
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data->TIgnFac=0.20; |
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/*Sorting*/ |
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data->sort=sort; |
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/*****************************************************/ |
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int ier; |
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@@ -770,7 +785,7 @@ static int parseInput(UserData data, int argc, char *argv[]){ |
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char comp[BUFSIZE+1]; |
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bool enteredT0, enteredP, enteredMech, enteredComp; |
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enteredT0=enteredP=enteredMech=enteredComp=false; |
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while((opt=getopt(argc,argv,"a:r:f:T:P:m:c:t:vsd")) != -1){ |
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while((opt=getopt(argc,argv,"a:r:f:T:P:m:c:t:q:vsod")) != -1){ |
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switch(opt){ |
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case 'a': |
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data->atol=RCONST(atof(optarg)); |
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@@ -810,9 +825,15 @@ static int parseInput(UserData data, int argc, char *argv[]){ |
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case 's': |
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data->sens=true; |
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break; |
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case 'o': |
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data->sort=true; |
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break; |
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case 'd': |
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data->imposedPdt=true; |
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break; |
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case 'q': |
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data->TIgnFac=RCONST(atof(optarg)); |
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break; |
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default: |
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printInstructions(); |
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return(-1); |
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@@ -887,7 +908,7 @@ static int parseInput(UserData data, int argc, char *argv[]){ |
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data->gas->equilibrate("HP"); |
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} |
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data->TIgn=data->T0+(data->gas->temperature() |
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-data->T0)*RCONST(0.20); |
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-data->T0)*data->TIgnFac; |
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printf("Ignition Temperature: %15.6e K\n",data->TIgn); |
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data->gas->setState_TPX(data->T0, |
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data->P, |
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@@ -1461,6 +1482,8 @@ static void printInstructions(){ |
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printf("\n-s :Enables ignition delay sensitivity output\n"); |
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printf("\n-S :Enables species mass fraction sensitivity output (works only with -s)\n"); |
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printf("\n-d :Enables manual dPdt entryspecies sensitivity output\n"); |
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printf("\n-o :Enables sorting of ignition delay sensitivity output\n"); |
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printf("\n-q :factor that determines ignition temperature (default: 0.2)\n"); |
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printf("\nexample: <executable> "); |
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printf("-T 1200.0 -P 1.0 -m gri30.cti"); |
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printf(" -c H2:1.0,N2:3.76,O2:1.0"); |
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vyaas
4 lat temu