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root/group/branches/new_design/OOPSE-4/src/integrators/NVT.cpp
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Comparing branches/new_design/OOPSE-4/src/integrators/NVT.cpp (file contents):
Revision 1867 by tim, Tue Dec 7 23:08:14 2004 UTC vs.
Revision 1868 by tim, Wed Dec 8 17:03:50 2004 UTC

# Line 147 | Line 147 | void NVT::moveB() {
147                 integrableObject = mol->nextIntegrableObject(j)) {
148                  oldVel_[index] = integrableObject->getVel();
149                  oldJi_[index] = integrableObject->getJ();                
150 +
151 +                ++index;    
152          }
153 <        ++index;              
153 >          
154      }
155  
156      // do the iteration:
# Line 187 | Line 189 | void NVT::moveB() {
189  
190                      //for(j = 0; j < 3; j++)
191                      //    ji[j] = oldJi_[3*i + j] + dt2 * (Tb[j] * OOPSEConstant::energyConvert - oldJi_[3*i+j]*chi);
192 <                    ji += dt2*OOPSEConstant::energyConvert*Tb - dt2*chi *oldJi_[index];
192 >                    ji = oldJi_[index] + dt2*OOPSEConstant::energyConvert*Tb - dt2*chi *oldJi_[index];
193  
194                      integrableObject->setJ(ji);
195                  }

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