*** empty log message ***

Cantera/python/Cantera/gases.py

@@ -5,11 +5,11 @@ gas mixtures.
 
 """
 # for pydoc
-import solution, constants, ck2ctml
+import solution, constants
 
 from constants import *
 from Cantera.solution import Solution
-from ck2ctml import ck2ctml
+
 #import _cantera
 import os
 

Cantera/src/BandMatrix.cpp

@@ -136,9 +136,9 @@ namespace Cantera {
         }
         else {
 	  m_factored = false;
-	  //ofstream fout("bandmatrix.csv");
-	  //fout << *this << endl;
-	  //fout.close();
+	  ofstream fout("bandmatrix.csv");
+	  fout << *this << endl;
+	  fout.close();
 	  //throw CanteraError("BandMatrix::factor",
 	  //    "DGBTRF returned info = "+int2str(info)+".\n"
 	  //    +"Matrix written to file bandmatrix.csv\n");
@@ -188,14 +188,14 @@ namespace Cantera {
 		    ipiv().begin(), b, columns(), info);
 
         // error handling
-        //if (info != 0) {
-        //    ofstream fout("bandmatrix.csv");
-        //    fout << *this << endl;
-        //    fout.close();
+        if (info != 0) {
+            ofstream fout("bandmatrix.csv");
+            fout << *this << endl;
+            fout.close();
         //    throw CanteraError("BandMatrix::solve",
         //        "DGBTRS returned info = "+int2str(info)+".\n"
         //        +"Matrix written to file bandmatrix.csv\n");
-        //}
+        }
 	return info;
     }
 

Cantera/src/DenseMatrix.cpp

@@ -129,14 +129,14 @@ namespace Cantera {
      */
     int invert(DenseMatrix& A, int nn) {
         integer n = (nn > 0 ? nn : A.nRows());
-        int info=0;
+        integer info;
         ct_dgetrf(n, n, A.begin(), A.nRows(), A.ipiv().begin(), info);
         if (info != 0) 
             throw CanteraError("invert",
                 "DGETRF returned INFO="+int2str(info));
 
         vector_fp work(n);
-        integer lwork = n; 
+        integer lwork = work.size(); 
         ct_dgetri(n, A.begin(), A.nRows(), A.ipiv().begin(), 
             work.begin(), lwork, info);
         if (info != 0) 

Cantera/src/oneD/Sim1D.cpp

@@ -291,7 +291,7 @@ namespace Cantera {
                 new_points = refine(loglevel);
             }
             else {
-                writelog("grid refinement disabled.\n");
+                if (loglevel > 0) writelog("grid refinement disabled.\n");
                 new_points = 0;
             }
         }

Cantera/src/transport/DustyGasTransport.cpp

@@ -114,22 +114,27 @@ namespace Cantera {
         if (m_bulk_ok) return;
         int n,m;
         // get the gaseous binary diffusion coefficients
+        //cout << "Gas binary diffusion coefficients: " << endl;
         m_gastran->getBinaryDiffCoeffs(m_nsp, m_d.begin());
         doublereal por2tort = m_porosity / m_tortuosity;
         for (n = 0; n < m_nsp; n++) 
             for (m = 0; m < m_nsp; m++) 
                 m_d(n,m) *= por2tort;
         m_bulk_ok = true;
+        //cout << m_d << endl;
     }
 
     void DustyGasTransport::updateKnudsenDiffCoeffs() {
         if (m_knudsen_ok) return;
         doublereal K_g = m_pore_radius * m_porosity / m_tortuosity;
         const doublereal FourThirds = 4.0/3.0;
+        //cout << "Knudsen diffusion coefficients: " << endl;
         for (int k = 0; k < m_nsp; k++) {
             m_dk[k] = FourThirds * K_g * sqrt((8.0 * GasConstant * m_temp)/
                 (Pi * m_mw[k]));
+            //cout << m_dk[k] << ", "; 
         }
+        //cout << endl;
         m_knudsen_ok = true;
     }
 
@@ -146,8 +151,9 @@ namespace Cantera {
 
             // evaluate diagonal term
             sum = 0.0;
-            for (j = 0; j < m_nsp; j++) sum += m_x[j]/m_d(k,j);
+            for (j = 0; j < m_nsp; j++) if (j != k) sum += m_x[j]/m_d(k,j);
             m_multidiff(k,k) = 1.0/m_dk[k] + sum;
+            //cout << "H matrix = " << endl << m_multidiff << endl;
         }
     }
 
@@ -183,12 +189,14 @@ namespace Cantera {
 
         // update the mole fractions
         updateTransport_C();
-        
-        eval_H_matrix();
-        
-        // invert H
-        int ierr = invert(m_multidiff, m_nsp);
 
+        eval_H_matrix();
+
+        // invert H
+        int ierr = invert(m_multidiff);
+
+        //cout << "Diffusion coeff matrix: " << endl;
+        //cout << m_multidiff << endl;
         if (ierr != 0) {
             throw CanteraError("DustyGasTransport::updateMultiDiffCoeffs",
                 "invert returned ierr = "+int2str(ierr));

Cantera/src/transport/DustyGasTransport.h

@@ -46,7 +46,6 @@ namespace Cantera {
 
     public:
 
-
         /// default constructor
       DustyGasTransport(thermo_t* thermo=0);
         virtual ~DustyGasTransport() {}
@@ -108,6 +107,7 @@ namespace Cantera {
             m_perm = B;
         }
 
+        Transport& gasTransport() { return *m_gastran; }
         /**
          * @internal
          */

Cantera/src/transport/TransportFactory.cpp

@@ -197,6 +197,8 @@ namespace Cantera {
         m_models["Multi"] = cMulticomponent;
         m_models["Solid"] = cSolidTransport;
         m_models["DustyGas"] = cDustyGasTransport;
+        m_models["CK_Multi"] = CK_Multicomponent;
+        m_models["CK_Mix"] = CK_MixtureAveraged;
         m_models["None"] = 0;
     }
 
@@ -246,7 +248,7 @@ namespace Cantera {
             break;
         case cDustyGasTransport:
             tr = new DustyGasTransport;
-            gastr = new MixTransport;
+            gastr = new MultiTransport;
             initTransport(gastr, phase, 0, log_level);
             dtr = (DustyGasTransport*)tr;
             dtr->initialize(phase, gastr);

include/transport.h

@@ -2,4 +2,5 @@
 #define CT_TRANSPORT_INCL
 
 #include "kernel/transport/TransportFactory.h"
+#include "kernel/transport/DustyGasTransport.h"
 #endif