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root/OpenMD/branches/development/src/integrators/LangevinDynamics.cpp
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Comparing branches/development/src/integrators/LangevinDynamics.cpp (file contents):
Revision 1665 by gezelter, Tue Nov 22 20:38:56 2011 UTC vs.
Revision 1715 by gezelter, Tue May 22 21:55:31 2012 UTC

# Line 105 | Line 105 | namespace OpenMD {
105  
106            ji += (dt2  * PhysicalConstants::energyConvert) * Tb;
107  
108 <          rotAlgo->rotate(integrableObject, ji, dt);
108 >          rotAlgo_->rotate(integrableObject, ji, dt);
109  
110            integrableObject->setJ(ji);
111          }
# Line 114 | Line 114 | namespace OpenMD {
114        }
115      } //end for(mol = info_->beginMolecule(i))
116      
117 <    rattle->constraintA();
118 <    
117 >    flucQ_->moveA();
118 >    rattle_->constraintA();    
119    }    
120  
121    void LangevinDynamics::moveB(){
# Line 161 | Line 161 | namespace OpenMD {
161        }
162      } //end for(mol = info_->beginMolecule(i))
163    
164 <
165 <    rattle->constraintB();
166 <
164 >    flucQ_->moveB();
165 >    rattle_->constraintB();
166    }
167  
168  

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