From 2f1345dd34ed3bf18b16db00c197ddf0d781f594 Mon Sep 17 00:00:00 2001
From: Harry Moffat <hkmoffa@sandia.gov>
Date: Fri, 13 Feb 2009 21:35:06 +0000
Subject: [PATCH] Another iteration: not operational

---
 Cantera/src/numerics/NonlinearSolver.cpp | 29 +++++++++++++++++++-----
 Cantera/src/numerics/NonlinearSolver.h   | 22 ++++++++++++++----
 2 files changed, 41 insertions(+), 10 deletions(-)

diff --git a/Cantera/src/numerics/NonlinearSolver.cpp b/Cantera/src/numerics/NonlinearSolver.cpp
index 96885c437..59cafc574 100644
--- a/Cantera/src/numerics/NonlinearSolver.cpp
+++ b/Cantera/src/numerics/NonlinearSolver.cpp
@@ -134,6 +134,23 @@ namespace Cantera {
     return *this;
   }
 
+  // Create solution weights for convergence criteria
+  /*
+   *  We create soln weights from the following formula
+   *
+   *  wt[i] = rtol * abs(y[i]) + atol[i]
+   *
+   *  The program always assumes that atol is specific
+   *  to the solution component
+   *
+   * param y  vector of the current solution values
+   */
+  void NonlinearSolver::createSolnWeights(const double * const y) {
+    for (int i = 0; i < neq_; i++) {
+      m_ewt[i] = rtol_ * fabs(y[i]) + atolk_[i];
+    }
+  }
+
   /**
    * L2 Norm of a delta in the solution
    *
@@ -141,8 +158,8 @@ namespace Cantera {
    *  if true, then a table of the largest values is printed
    *  out to standard output.
    */
-  double NonlinearSolver::soln_error_norm(const double * const delta_y, 
-					  bool printLargest)
+  double NonlinearSolver::solnErrorNorm(const double * const delta_y, 
+					bool printLargest)
   {
     int    i;
     double sum_norm = 0.0, error;
@@ -196,8 +213,8 @@ namespace Cantera {
    *  if true, then a table of the largest values is printed
    *  out to standard output.
    */
-  double NonlinearSolver::resid_error_norm(const double * const resid,
-					   bool printLargest)
+  double NonlinearSolver::residErrorNorm(const double * const resid,
+					 bool printLargest)
   {
     int    i;
     double sum_norm = 0.0, error;
@@ -545,7 +562,7 @@ namespace Cantera {
     
           
     // Compute the weighted norm of the undamped step size step0
-    double s0 = soln_error_norm(step0);
+    double s0 = solnErrorNorm(step0);
 
     // Compute the multiplier to keep all components in bounds
     // A value of one indicates that there is no limitation
@@ -594,7 +611,7 @@ namespace Cantera {
       doNewtonSolve(time_curr, y1, ydot1, step1, jac, loglevel);
 
       // compute the weighted norm of step1
-      s1 = soln_error_norm(step1);
+      s1 = solnErrorNorm(step1);
 
       // write log information
       if (loglevel > 3) {
diff --git a/Cantera/src/numerics/NonlinearSolver.h b/Cantera/src/numerics/NonlinearSolver.h
index 33d411611..02dec5e25 100644
--- a/Cantera/src/numerics/NonlinearSolver.h
+++ b/Cantera/src/numerics/NonlinearSolver.h
@@ -59,7 +59,21 @@ namespace Cantera {
      */
     NonlinearSolver& operator=(const NonlinearSolver &right);
 
-   
+
+    //! Create solution weights for convergence criteria
+    /*!
+     *  We create soln weights from the following formula
+     *
+     *  wt[i] = rtol * abs(y[i]) + atol[i]
+     *
+     *  The program always assumes that atol is specific
+     *  to the solution component
+     *
+     * param y  vector of the current solution values
+     */
+    void createSolnWeights(const double * const y);
+
+
     //!  L2 norm of the delta of the solution vector
     /*!
      *  calculate the norm of the solution vector. This will
@@ -69,8 +83,8 @@ namespace Cantera {
      *    if true, then a table of the largest values is printed
      *    out to standard output.
      */
-    double soln_error_norm(const double * const delta_y, 
-			   bool printLargest = false);
+    double solnErrorNorm(const double * const delta_y, 
+			 bool printLargest = false);
 
     //! L2 norm of the residual of the equation system
     /*!
@@ -81,7 +95,7 @@ namespace Cantera {
      *  if true, then a table of the largest values is printed
      *  out to standard output.
      */
-    double resid_error_norm(const double * const resid, 
+    double residErrorNorm(const double * const resid, 
 			    bool printLargest = false);
 
     //! Compute the current Residual