Changeset 1838 for branches/newmole/source/ion_solver.cpp

Timestamp:

03/09/08 16:59:05 (10 months ago)

Author:

rjrw

Message:

Minor changes to resulting from trying to chase down differences on
pdf_leiden_f1 --

ion_solver: allow molecule effects in first iteration,
iso_level: defensive programming for z[][]
mole_eval_balance: move some definitions for sp
mole_co_atom: add SDIV (aka fixit...) to prevent FPE in some circumstances

Files:

• branches/newmole/source/ion_solver.cpp (modified) (3 diffs)

branches/newmole/source/ion_solver.cpp

@@ -378 +378 @@
          * matrix is singular */
         totsrc = 0.;
-        /*>>chng 06 nov 28 only include source from molecules if we have an estimated first 
-         * solution - first test is that we have called mole at least twice,
-         * second test is that we are on a later iteration */
-        if( conv.nTotalIoniz > 1 || iteration > 1 )
-        {
-
-                for( i=0; i<ion_range;i++ )
-                {
-                        ion = i+ion_low;
-
-                        /* these are the external source and sink terms */
-                        /* need negative sign to get positive pops */
-                        source[i] -= mole.source[nelem][ion];
-                        totsrc += mole.source[nelem][ion];
-                        MAT( xmat, i, i ) -= mole.sink[nelem][ion];
-                }
+
+        for( i=0; i<ion_range;i++ )
+        {
+                ion = i+ion_low;
+                
+                /* these are the external source and sink terms */
+                /* need negative sign to get positive pops */
+                source[i] -= mole.source[nelem][ion];
+                totsrc += mole.source[nelem][ion];
+                MAT( xmat, i, i ) -= mole.sink[nelem][ion];
         }
 
@@ -1030 +1024 @@
                 fprintf( ioQQQ, "\n" );
 
+                /* grain ionization - not total rate but should be dominant process */
+                fprintf( ioQQQ, " %s ion xfr mol "  ,elementnames.chElementSym[nelem]);
+                for( ion=0; ion < dense.IonHigh[nelem]; ion++ )
+                {
+                        fprintf( ioQQQ, " %9.2e", mole.xMoleChTrRate[nelem][ion][ion+1] );
+                }
+                fprintf( ioQQQ, "\n" );
+
                 /* charge exchange ionization */
                 fprintf( ioQQQ, " %s chr trn ion " ,elementnames.chElementSym[nelem] );
@@ -1080 +1082 @@
                 {
                         fprintf( ioQQQ, " %9.2e", gv.GrainChTrRate[nelem][ion+1][ion] );
+                }
+                fprintf( ioQQQ, "\n" );
+
+                fprintf( ioQQQ, " %s rec xfr mol "  ,elementnames.chElementSym[nelem]);
+                for( ion=0; ion < dense.IonHigh[nelem]; ion++ )
+                {
+                        fprintf( ioQQQ, " %9.2e", mole.xMoleChTrRate[nelem][ion+1][ion] );
                 }
                 fprintf( ioQQQ, "\n" );