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root/OpenMD/trunk/src/io/OptionSectionParser.cpp
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Comparing trunk/src/io/OptionSectionParser.cpp (file contents):
Revision 749 by tim, Wed Nov 16 23:10:02 2005 UTC vs.
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC

# Line 6 | Line 6
6   * redistribute this software in source and binary code form, provided
7   * that the following conditions are met:
8   *
9 < * 1. Acknowledgement of the program authors must be made in any
10 < *    publication of scientific results based in part on use of the
11 < *    program.  An acceptable form of acknowledgement is citation of
12 < *    the article in which the program was described (Matthew
13 < *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
14 < *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
15 < *    Parallel Simulation Engine for Molecular Dynamics,"
16 < *    J. Comput. Chem. 26, pp. 252-271 (2005))
17 < *
18 < * 2. Redistributions of source code must retain the above copyright
9 > * 1. Redistributions of source code must retain the above copyright
10   *    notice, this list of conditions and the following disclaimer.
11   *
12 < * 3. Redistributions in binary form must reproduce the above copyright
12 > * 2. Redistributions in binary form must reproduce the above copyright
13   *    notice, this list of conditions and the following disclaimer in the
14   *    documentation and/or other materials provided with the
15   *    distribution.
# Line 38 | Line 29
29   * University of Notre Dame has been advised of the possibility of
30   * such damages.
31   *
32 + * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
33 + * research, please cite the appropriate papers when you publish your
34 + * work.  Good starting points are:
35 + *                                                                      
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).                        
40   *
42 – *  OptionSectionParser.cpp
43 – *  OOPSE-2.0
44 – *
41   *  Created by Charles F. Vardeman II on 11/15/05.
42   *  @author  Charles F. Vardeman II
43 < *  @version $Id: OptionSectionParser.cpp,v 1.2 2005-11-16 23:10:02 tim Exp $
43 > *  @version $Id: OptionSectionParser.cpp,v 1.4 2009-11-25 20:02:00 gezelter Exp $
44   *
45   */
46  
# Line 53 | Line 49
49   #include "UseTheForce/ForceField.hpp"
50   #include "utils/simError.h"
51   #include "utils/StringUtils.hpp"
52 < namespace oopse {
52 > namespace OpenMD {
53  
58 –  bool ForceFieldOptions::setData(const std::string& keyword, const std::string& value) {
59 –      bool result;
60 –      ParamMap::iterator i =parameters_.find(keyword);
61 –      if (i != parameters_.end()) {
62 –        if(isType<int>(value)){
63 –          int ival = lexi_cast<int>(value);
64 –          result = i->second->setData(ival);
65 –        }      
66 –        else if (isType<double>(value)){
67 –          double dval = lexi_cast<double>(value);
68 –          result = i->second->setData(dval);
69 –        } else{
70 –           result = i->second->setData(value);
71 –        }
72 –      } else {
73 –        sprintf(painCave.errMsg,  "%s is an unrecognized keyword\n", keyword.c_str() );
74 –          painCave.isFatal = 0;
75 –          simError();        
76 –      }
77 –
78 –      return result;
79 –  }
80 –
54    OptionSectionParser::OptionSectionParser(ForceFieldOptions& options) : options_(options) {
55      setSectionName("Options");        
56    }
# Line 105 | Line 78 | namespace oopse {
78      options_.validateOptions();
79    }
80  
81 < } //end namespace oopse  
81 > } //end namespace OpenMD  

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