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root/OpenMD/branches/development/src/restraints/ThermoIntegrationForceManager.cpp
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trunk/src/restraints/ThermoIntegrationForceManager.cpp (file contents), Revision 1442 by gezelter, Mon May 10 17:28:26 2010 UTC vs.
branches/development/src/restraints/ThermoIntegrationForceManager.cpp (file contents), Revision 1665 by gezelter, Tue Nov 22 20:38:56 2011 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 90 | Line 91 | namespace OpenMD {
91    ThermoIntegrationForceManager::~ThermoIntegrationForceManager(){
92    }
93    
94 <  void ThermoIntegrationForceManager::calcForces(bool needPotential,
94 <                                                 bool needStress){
94 >  void ThermoIntegrationForceManager::calcForces(){
95      Snapshot* curSnapshot;
96      SimInfo::MoleculeIterator mi;
97      Molecule* mol;
# Line 102 | Line 102 | namespace OpenMD {
102      Mat3x3d tempTau;
103      
104      // perform the standard calcForces first
105 <    ForceManager::calcForces(needPotential, needStress);
105 >    ForceManager::calcForces();
106      
107      curSnapshot = info_->getSnapshotManager()->getCurrentSnapshot();
108  

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