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/* |
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* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. |
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* Copyright (c) 2005, 2010 The University of Notre Dame. All Rights Reserved. |
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* |
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* The University of Notre Dame grants you ("Licensee") a |
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* non-exclusive, royalty free, license to use, modify and |
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* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
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* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
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* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
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* [4] Vardeman & Gezelter, in progress (2009). |
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* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
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* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
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*/ |
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#define _LARGEFILE_SOURCE64 |
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#include "io/StatWriter.hpp" |
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#include "utils/simError.h" |
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using namespace std; |
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namespace OpenMD { |
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StatsBitSet parseStatFileFormat(const std::string& format) { |
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StringTokenizer tokenizer(format, " ,;|\t\n\r"); |
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statfile_.precision(8); |
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for (int i =0; i < mask_.size(); ++i) { |
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if (mask_[i]) { |
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statfile_ << "\t" << s[i]; |
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if (! isinf(s[i]) && ! isnan(s[i])){ |
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statfile_ << "\t" << s[i]; |
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} |
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else{ |
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sprintf( painCave.errMsg, |
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"StatWriter detected a numerical error writing: %s ", |
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Stats::getTitle(i).c_str()); |
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painCave.isFatal = 1; |
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simError(); |
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} |
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} |
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} |
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statfile_ << std::endl; |
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#ifdef IS_MPI |
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} |
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errorCheckPoint(); |
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#endif // is_mpi |
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} |
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