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root/OpenMD/trunk/src/primitives/StuntDouble.cpp
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Comparing trunk/src/primitives/StuntDouble.cpp (file contents):
Revision 1782 by gezelter, Wed Aug 22 02:28:28 2012 UTC vs.
Revision 2071 by gezelter, Sat Mar 7 21:41:51 2015 UTC

# Line 35 | Line 35
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).          
38 > * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).          
39   * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40   * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41   */
# Line 53 | Line 53 | namespace OpenMD {
53  
54    StuntDouble::StuntDouble(ObjectType objType, DataStoragePointer storage) :
55      objType_(objType), storage_(storage), snapshotMan_(NULL),    
56 <    linear_(false), linearAxis_(-1), globalIndex_(-1), localIndex_(-1),
57 <    globalIntegrableObjectIndex_(-1){
58 <    }
56 >    linear_(false), linearAxis_(-1), globalIndex_(-1),
57 >    globalIntegrableObjectIndex_(-1), localIndex_(-1) {}
58  
59 <  StuntDouble::~StuntDouble() {
59 >  StuntDouble::~StuntDouble() {}
60  
62 –  }
63 –
61    void StuntDouble::zeroForcesAndTorques() {    
62      int sl = (snapshotMan_->getCurrentSnapshot()->*storage_).getStorageLayout();
63  
# Line 72 | Line 69 | namespace OpenMD {
69        setParticlePot(0.0);
70      if (sl & DataStorage::dslFlucQForce)
71        setFlucQFrc(0.0);
72 +    if (sl & DataStorage::dslElectricField)
73 +      setElectricField(V3Zero);
74    }
75    void StuntDouble::addProperty(GenericData* genData) {
76      properties_.addProperty(genData);  

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