From ae989985eb98e376213e9325bb29c6be38b30f57 Mon Sep 17 00:00:00 2001
From: Harry Moffat <hkmoffa@sandia.gov>
Date: Wed, 13 Oct 2010 16:58:34 +0000
Subject: [PATCH] Added a hook for specifying atol

---
 Cantera/src/numerics/NonlinearSolver.cpp | 14 ++++++++++++++
 Cantera/src/numerics/NonlinearSolver.h   | 15 ++++++++++++++-
 2 files changed, 28 insertions(+), 1 deletion(-)

diff --git a/Cantera/src/numerics/NonlinearSolver.cpp b/Cantera/src/numerics/NonlinearSolver.cpp
index e9ac2c248..19faf2def 100644
--- a/Cantera/src/numerics/NonlinearSolver.cpp
+++ b/Cantera/src/numerics/NonlinearSolver.cpp
@@ -1702,5 +1702,19 @@ namespace Cantera {
     return retn;
   }
   //=====================================================================================================================
+  // Set the absolute tolerances for the solution variables
+  /*
+   *   Set the absolute tolerances used in the calculation
+   *
+   *  @param atol   Vector of length neq_ that contains the tolerances to be used for the solution variables
+   */
+  void NonlinearSolver::setAtol(const doublereal * const atol)
+  {
+    for (int i = 0; i < neq_; i++) {
+      atolk_[i]= atol[i];
+    }
+  }
+  //=====================================================================================================================
+  
 }
 
diff --git a/Cantera/src/numerics/NonlinearSolver.h b/Cantera/src/numerics/NonlinearSolver.h
index f7ff48f58..43ef2daea 100644
--- a/Cantera/src/numerics/NonlinearSolver.h
+++ b/Cantera/src/numerics/NonlinearSolver.h
@@ -385,6 +385,15 @@ namespace Cantera {
      */
     int convergenceCheck(int dampCode, double s1);
 
+
+    //! Set the absolute tolerances for the solution variables
+    /*!
+     *   Set the absolute tolerances used in the calculation
+     *
+     *  @param atol   Vector of length neq_ that contains the tolerances to be used for the solution variables
+     */
+    void setAtol(const doublereal * const atol);
+
  private:
 
     //! Pointer to the residual and jacobian evaluator for the 
@@ -497,12 +506,16 @@ namespace Cantera {
     //! int indicating whether row scaling is turned on (1) or not (0)
     int m_rowScaling;
 
+    //! Total number of linear solves
     int m_numTotalLinearSolves;
 
+    //! Total number of newton iterations
     int m_numTotalNewtIts;
 
+    //! Minimum number of newton iterations to use
     int m_min_newt_its;
 
+    //! Boolean that turns on solution filtering
     int filterNewstep;
 
     //! Jacobian formation method
@@ -512,8 +525,8 @@ namespace Cantera {
      */
     int m_jacFormMethod;
 
+    //! Number of Jacobian evaluations
     int m_nJacEval;
- 
 
     //! Current system time
     /*!