Changeset 2031 for branches/newmole/source/conv_init_solution.cpp

Timestamp:

05/07/08 16:29:10 (8 months ago)

Author:

rjrw

Message:

Stubs for using minpack routines (they don't improve things, possibly
due to the Jacobian fix for species conservation).

Re-order a loop in conv_init_solution.

Remove some out of date comments.

Files:

• branches/newmole/source/conv_init_solution.cpp (modified) (2 diffs)

branches/newmole/source/conv_init_solution.cpp

@@ -130 +130 @@
         for( i=0; i<mole.num_calc; ++i )
         {
-                for (nelem=ipHYDROGEN;nelem<LIMELM;nelem++) 
-                {
-                        if( dense.lgElmtOn[nelem] && mole.list[i]->location == NULL )
+                if (mole.list[i]->location == NULL)
+                {
+                        for (nelem=ipHYDROGEN;nelem<LIMELM;nelem++) 
                         {
-                                realnum dens_elemsp = (realnum) mole.list[i]->den*mole.list[i]->nElem[nelem];
-                                if (    FracMoleMax*dense.gas_phase[nelem] < dens_elemsp ) 
+                                if( dense.lgElmtOn[nelem] )
                                 {
-                                        FracMoleMax = dens_elemsp/dense.gas_phase[nelem];
-                                        ipMax = i;
+                                        realnum dens_elemsp = (realnum) mole.list[i]->den*mole.list[i]->nElem[nelem];
+                                        if ( FracMoleMax*dense.gas_phase[nelem] < dens_elemsp ) 
+                                        {
+                                                FracMoleMax = dens_elemsp/dense.gas_phase[nelem];
+                                                ipMax = i;
+                                        }
                                 }
                         }
@@ -148 +151 @@
         for(i=0;i<mole.num_calc;++i)
         {
-                OxyInGrains += (1 - mole.list[i]->lgGas_Phase)*mole.list[i]->den*mole.list[i]->nElem[ipOXYGEN]; 
+                if (! mole.list[i]->lgGas_Phase )
+                        OxyInGrains += mole.list[i]->den*mole.list[i]->nElem[ipOXYGEN]; 
         }
         /* this is now fraction of O in ices */