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root/OpenMD/branches/development/src/restraints/ThermoIntegrationForceManager.cpp
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Comparing branches/development/src/restraints/ThermoIntegrationForceManager.cpp (file contents):
Revision 1465 by chuckv, Fri Jul 9 23:08:25 2010 UTC vs.
Revision 1723 by gezelter, Thu May 24 20:59:54 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 133 | Line 134 | namespace OpenMD {
134      curSnapshot->statData[Stats::LONG_RANGE_POTENTIAL] = lrPot_;
135      
136      // scale the pressure tensor
137 <    tempTau = curSnapshot->statData.getTau();
137 >    tempTau = curSnapshot->getStressTensor();
138      tempTau *= factor_;
139 <    curSnapshot->statData.setTau(tempTau);
139 >    curSnapshot->setStressTensor(tempTau);
140  
141      // now, on to the applied restraining potentials (if needed):
142      RealType restPot_local = 0.0;

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