--- trunk/src/io/StatWriter.cpp	2008/11/14 15:44:34	1316
+++ branches/development/src/io/StatWriter.cpp	2010/07/09 23:08:25	1465
@@ -1,24 +1,15 @@
 /*
- * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
+ * Copyright (c) 2005, 2010 The University of Notre Dame. All Rights Reserved.
  *
  * The University of Notre Dame grants you ("Licensee") a
  * non-exclusive, royalty free, license to use, modify and
  * redistribute this software in source and binary code form, provided
  * that the following conditions are met:
  *
- * 1. Acknowledgement of the program authors must be made in any
- *    publication of scientific results based in part on use of the
- *    program.  An acceptable form of acknowledgement is citation of
- *    the article in which the program was described (Matthew
- *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
- *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
- *    Parallel Simulation Engine for Molecular Dynamics,"
- *    J. Comput. Chem. 26, pp. 252-271 (2005))
- *
- * 2. Redistributions of source code must retain the above copyright
+ * 1. Redistributions of source code must retain the above copyright
  *    notice, this list of conditions and the following disclaimer.
  *
- * 3. Redistributions in binary form must reproduce the above copyright
+ * 2. Redistributions in binary form must reproduce the above copyright
  *    notice, this list of conditions and the following disclaimer in the
  *    documentation and/or other materials provided with the
  *    distribution.
@@ -37,6 +28,15 @@
  * arising out of the use of or inability to use software, even if the
  * University of Notre Dame has been advised of the possibility of
  * such damages.
+ *
+ * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
+ * research, please cite the appropriate papers when you publish your
+ * work.  Good starting points are:
+ *                                                                      
+ * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).             
+ * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
+ * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
+ * [4]  Vardeman & Gezelter, in progress (2009).                        
  */
  
 #define _LARGEFILE_SOURCE64
@@ -45,7 +45,9 @@
 #include "io/StatWriter.hpp"
 #include "utils/simError.h"
 
-namespace oopse {
+using namespace std;
+
+namespace OpenMD {
   StatsBitSet parseStatFileFormat(const std::string& format) {
     StringTokenizer tokenizer(format, " ,;|\t\n\r");
     StatsBitSet mask;
@@ -59,7 +61,7 @@ namespace oopse {
           sprintf( painCave.errMsg,
 	               "%s is not a valid statFileFormat keyword.\n", token.c_str() );
           painCave.isFatal = 0;
-          painCave.severity = OOPSE_ERROR;
+          painCave.severity = OPENMD_ERROR;
           simError();            
         }
     }
@@ -139,7 +141,16 @@ namespace oopse {
       statfile_.precision(8);
       for (int i =0; i < mask_.size(); ++i) {
 	if (mask_[i]) {
-	  statfile_ << "\t" << s[i];
+          if (! isinf(s[i]) && ! isnan(s[i])){
+            statfile_ << "\t" << s[i];
+          }
+          else{
+            sprintf( painCave.errMsg,
+                     "StatWriter detected a numerical error writing: %s ",
+                     Stats::getTitle(i).c_str());
+            painCave.isFatal = 1;
+            simError();
+          }          
 	}
       }
       statfile_ << std::endl;
@@ -148,6 +159,7 @@ namespace oopse {
 
 #ifdef IS_MPI
     }
+    errorCheckPoint();
 #endif // is_mpi
   }