Changeset 1835 for branches/newmole/source

Timestamp:

03/09/08 10:35:33 (9 months ago)

Author:

rjrw

Message:

Move molecular source and sink copy to mole_effects routine.

Increase tolerance for negative density solutions somewhat.

Location:

branches/newmole/source

Files:

• ion_solver.cpp (modified) (1 diff)
• mole_drive.cpp (modified) (1 diff)
• mole_eval_balance.cpp (modified) (1 diff)
• mole_solve.cpp (modified) (2 diffs)

branches/newmole/source/ion_solver.cpp

@@ -66 +66 @@
         if ( abund_total < 0  ) 
         {
-                if (abund_total < -10.0*FLT_EPSILON*dense.gas_phase[nelem])
+                if (abund_total < -100.0*FLT_EPSILON*dense.gas_phase[nelem])
                 {
                         double sum;

branches/newmole/source/mole_drive.cpp

@@ -250 +250 @@
 
         mole_eval_balance(mole.num_total,b,c);  
+
+        for (long int nelem=ipHYDROGEN;nelem<LIMELM;nelem++)
+        {
+                for (long int ion=0;ion<N_MOLE_ION;ion++) 
+                {
+                        if (element_list[nelem]->ipMl[ion] != -1)
+                        {
+                                mole.source[nelem][ion] = mole.zone[element_list[nelem]->ipMl[ion]].src;
+                                mole.sink[nelem][ion] = mole.zone[element_list[nelem]->ipMl[ion]].snk;
+                                if (dense.IonLow[nelem] > ion)
+                                        dense.IonLow[nelem] = ion;
+                                if (dense.IonHigh[nelem] < ion)
+                                        dense.IonHigh[nelem] = ion;                                     
+                        }
+                        else
+                        {
+                                mole.source[nelem][ion] = 0.0;
+                                mole.sink[nelem][ion] = 0.0;
+                        }
+                }
+        }
 
         co.CODissHeat = (realnum)(mole_findrate("PHOTON,CO=>C,O")*1e-12);

branches/newmole/source/mole_eval_balance.cpp

@@ -56 +56 @@
                 for( ion=0; ion<nelem+2; ++ion )
                 {
-                        /* zero out the source and sink arrays */
-                        mole.source[nelem][ion] = 0.;
-                        mole.sink[nelem][ion] = 0.;
+                        /* zero out the transfer array */
                         for( ion2=0; ion2<nelem+2; ++ion2 )
                         {

branches/newmole/source/mole_solve.cpp

@@ -39 +39 @@
 double mole_solve()
 {
-        long int nelem;
         int nBad, nPrevBad, i;
         realnum
@@ -121 +120 @@
         
         check_co_ion_converge();
-
-        for (nelem=ipHYDROGEN;nelem<LIMELM;nelem++)
-        {
-                for (long int ion=0;ion<N_MOLE_ION;ion++) 
-                {
-                        if (element_list[nelem]->ipMl[ion] != -1)
-                        {
-                                mole.source[nelem][ion] = mole.zone[element_list[nelem]->ipMl[ion]].src;
-                                mole.sink[nelem][ion] = mole.zone[element_list[nelem]->ipMl[ion]].snk;
-                                if (dense.IonLow[nelem] > ion)
-                                        dense.IonLow[nelem] = ion;
-                                if (dense.IonHigh[nelem] < ion)
-                                        dense.IonHigh[nelem] = ion;                                     
-                        }
-                        else
-                        {
-                                mole.source[nelem][ion] = 0.0;
-                                mole.sink[nelem][ion] = 0.0;
-                        }
-                }
-        }
 
         {