ViewVC Help
View File | Revision Log | Show Annotations | View Changeset | Root Listing
root/OpenMD/branches/development/src/io/StatWriter.cpp
(Generate patch)

Comparing:
trunk/src/io/StatWriter.cpp (file contents), Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
branches/development/src/io/StatWriter.cpp (file contents), Revision 1665 by gezelter, Tue Nov 22 20:38:56 2011 UTC

# Line 1 | Line 1
1   /*
2 < * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
2 > * Copyright (c) 2005, 2010 The University of Notre Dame. All Rights Reserved.
3   *
4   * The University of Notre Dame grants you ("Licensee") a
5   * non-exclusive, royalty free, license to use, modify and
# Line 36 | Line 36
36   * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).            
37   * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
38   * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
39 < * [4]  Vardeman & Gezelter, in progress (2009).                        
39 > * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40 > * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41   */
42  
43   #define _LARGEFILE_SOURCE64
# Line 45 | Line 46
46   #include "io/StatWriter.hpp"
47   #include "utils/simError.h"
48  
49 + using namespace std;
50 +
51   namespace OpenMD {
52    StatsBitSet parseStatFileFormat(const std::string& format) {
53      StringTokenizer tokenizer(format, " ,;|\t\n\r");
# Line 139 | Line 142 | namespace OpenMD {
142        statfile_.precision(8);
143        for (int i =0; i < mask_.size(); ++i) {
144          if (mask_[i]) {
145 <          statfile_ << "\t" << s[i];
145 >          if (! isinf(s[i]) && ! isnan(s[i])){
146 >            statfile_ << "\t" << s[i];
147 >          }
148 >          else{
149 >            sprintf( painCave.errMsg,
150 >                     "StatWriter detected a numerical error writing: %s ",
151 >                     Stats::getTitle(i).c_str());
152 >            painCave.isFatal = 1;
153 >            simError();
154 >          }          
155          }
156        }
157        statfile_ << std::endl;
# Line 148 | Line 160 | namespace OpenMD {
160  
161   #ifdef IS_MPI
162      }
163 +    errorCheckPoint();
164   #endif // is_mpi
165    }
166  

Comparing:
trunk/src/io/StatWriter.cpp (property svn:keywords), Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
branches/development/src/io/StatWriter.cpp (property svn:keywords), Revision 1665 by gezelter, Tue Nov 22 20:38:56 2011 UTC

# Line 0 | Line 1
1 + Author Id Revision Date

Diff Legend

Removed lines
+ Added lines
< Changed lines
> Changed lines