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root/OpenMD/branches/development/src/primitives/StuntDouble.cpp
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Comparing branches/development/src/primitives/StuntDouble.cpp (file contents):
Revision 1465 by chuckv, Fri Jul 9 23:08:25 2010 UTC vs.
Revision 1710 by gezelter, Fri May 18 21:44:02 2012 UTC

# 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   /**
# Line 61 | Line 62 | namespace OpenMD {
62    }
63  
64    void StuntDouble::zeroForcesAndTorques() {    
65 <    setFrc(V3Zero);
66 <    setTrq(V3Zero);
67 <    setParticlePot(0.0);
65 >    int sl = (snapshotMan_->getCurrentSnapshot()->*storage_).getStorageLayout();
66 >
67 >    if (sl & DataStorage::dslForce)
68 >      setFrc(V3Zero);
69 >    if (sl & DataStorage::dslTorque)
70 >      setTrq(V3Zero);
71 >    if (sl & DataStorage::dslParticlePot)
72 >      setParticlePot(0.0);
73    }
74    void StuntDouble::addProperty(GenericData* genData) {
75      properties_.addProperty(genData);  

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