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Comparing trunk/src/primitives/StuntDouble.cpp (file contents):
Revision 507 by gezelter, Fri Apr 15 22:04:00 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 37 | Line 28
28   * arising out of the use of or inability to use software, even if the
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   */
41  
42   /**
# Line 48 | Line 48
48  
49   #include "primitives/StuntDouble.hpp"
50  
51 < namespace oopse {
51 > namespace OpenMD {
52  
53    StuntDouble::StuntDouble(ObjectType objType, DataStoragePointer storage) :
54      objType_(objType), storage_(storage), snapshotMan_(NULL),    
55 <    linear_(false), linearAxis_(-1), globalIndex_(-1), localIndex_(-1){
55 >    linear_(false), linearAxis_(-1), globalIndex_(-1), localIndex_(-1),
56 >    globalIntegrableObjectIndex_(-1){
57      }
58  
59    StuntDouble::~StuntDouble() {
60  
61    }
62  
63 <  void StuntDouble::zeroForcesAndTorques() {
63 >  void StuntDouble::zeroForcesAndTorques() {    
64      setFrc(V3Zero);
65      setTrq(V3Zero);
66 +    setParticlePot(0.0);
67    }
68    void StuntDouble::addProperty(GenericData* genData) {
69      properties_.addProperty(genData);  

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