chem/KPP/kpp/kpp-2.1/drv/general.c

   1 int  InitSaveData();
   2 void Initialize();
   3 int  SaveData();
   4 int  CloseSaveData();
   5 int  GenerateMatlab( char * prefix );
   6 void GetMass( double CL[], double Mass[] );
   7 void INTEGRATE( double TIN, double TOUT );
   8
   9 int main()
  10 {
  11 KPP_REAL dval[NSPEC];
  12 int i;
  13
  14 /* ---- TIME VARIABLES ------------------ */
  15
  16   RTOLS = 1e-3;
  17   TSTART = 3600*12;
  18   TEND = TSTART + 3600*24*5;
  19   DT = 3600.;
  20   TEMP = 236.21;
  21
  22   Initialize();
  23
  24   for( i = 0; i < NVAR; i++ ) {
  25     RTOL[i] = RTOLS;
  26     ATOL[i] = 1.0;
  27   }
  28   STEPMIN = 0.01;
  29   STEPMAX = 900;
  30
  31 /* ********** TIME LOOP **************************** */
  32
  33   InitSaveData();
  34
  35   printf("\n%7s %7s   ", "done[%]", "Time[h]");
  36   for( i = 0; i < NMONITOR; i++ )
  37     printf( "%8s  ", SPC_NAMES[MONITOR[i]] );
  38   for( i = 0; i < NMASS; i++ )
  39     printf( "(%6s)  ", SMASS[i] );
  40
  41   TIME = TSTART;
  42   while (TIME <= TEND) {
  43     GetMass( C, dval );
  44     printf("\n%6.1f%% %7.2f   ", (TIME-TSTART)/(TEND-TSTART)*100, TIME/3600 );
  45     for( i = 0; i < NMONITOR; i++ )
  46       printf( "%9.3e  ", C[ MONITOR[i] ]/CFACTOR );
  47     for( i = 0; i < NMASS; i++ )
  48       printf( "%9.3e  ", dval[i]/CFACTOR );
  49
  50     SaveData();
  51
  52     INTEGRATE( TIME , TIME+DT );
  53     TIME += DT;
  54   }
  55
  56 /* *********** END TIME LOOP *********************** */
  57
  58   printf("\n");
  59   CloseSaveData();
  60
  61     return 0; /*didnt return anything initially */
  62
  63 }