wrfv2_fire/chem/KPP/kpp/kpp-2.1/drv/general_stochastic.c

   1 int InitSaveData();
   2 int SaveData();
   3 int CloseSaveData();
   4 int GenerateMatlab( char * prefix );
   5 void GetMass( double CL[], double Mass[] );
   6 void INTEGRATE( double TIN, double TOUT );
   7 void Gillespie(int Nssa, double Volume, double* T, int NmlcV[], int NmlcF[]);
   8 void Update_RCONST();
   9
  10 /* ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */
  11 int main()
  12 /* ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */
  13 {
  14 /*~~~> Output results file */
  15   FILE* fpDat;
  16 /*~~~> No of molecules */
  17   int NmlcV[NVAR], NmlcF[NFIX];
  18 /*~~~> No of reaction events per output step */
  19   int Nevents;
  20 /*~~~> Local variables */
  21   int i;
  22   double T;
  23
  24   Initialize();
  25
  26   fpDat = fopen("KPP_ROOT_stochastic.dat", "w");
  27
  28   /* Translate initial values from conc. to molecules */
  29   /* Volume = 100.0; */
  30   Nevents = 20;
  31   for( i = 0; i < NVAR; i++ )
  32     NmlcV[i] = (int)(Volume*VAR[i]);
  33   for( i = 0; i < NFIX; i++ )
  34     NmlcF[i] = (int)(Volume*FIX[i]);
  35
  36 /*~~~> Begin Time Loop ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */
  37   T = TSTART;
  38   while (T <= TEND) {
  39     printf("\n%6.1f%% %10.4f   ", (T-TSTART)/(TEND-TSTART)*100, T );
  40     for( i = 0; i < NVAR; i++ )
  41       printf( "%s=%d  ", SPC_NAMES[i], NmlcV[i] );
  42
  43     fprintf(fpDat,"\n%g ", T );
  44     for( i = 0; i < NVAR; i++ )
  45         fprintf(fpDat,"%d  ", NmlcV[i]);
  46
  47     Gillespie( Nevents, Volume, &T , NmlcV, NmlcF );
  48
  49   }  /* while (T <= TEND) */
  50 /*~~~> End Time Loop ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */
  51
  52   fprintf(fpDat,"\n%g ", T );
  53   for( i = 0; i < NVAR; i++ )
  54       fprintf(fpDat,"%d  ", NmlcV[i]);
  55   fprintf(fpDat,"\n");
  56   fclose(fpDat);
  57
  58   printf("\n");
  59
  60   return 0;
  61
  62 }
  63 /*~~~> End of MAIN function ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ */
  64