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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 1868 by tim, Wed Dec 8 17:03:50 2004 UTC vs.
Revision 1871 by tim, Thu Dec 9 16:22:42 2004 UTC

# Line 89 | Line 89 | void NVT::moveA() {
89  
90          if (integrableObject->isDirectional()) {
91  
92 <            // get and convert the torque to body frame
92 >            //convert the torque to body frame
93 >            Tb = integrableObject->lab2Body(integrableObject->getTrq());
94  
94 –            Tb = integrableObject->getTrq();
95 –            integrableObject->lab2Body(Tb);
96 –
95              // get the angular momentum, and propagate a half step
96  
97              ji = integrableObject->getJ();
# Line 184 | Line 182 | void NVT::moveB() {
182  
183                      // get and convert the torque to body frame
184  
185 <                    Tb = integrableObject->getTrq();
188 <                    integrableObject->lab2Body(Tb);
185 >                    Tb =  integrableObject->lab2Body(integrableObject->getTrq());
186  
187                      //for(j = 0; j < 3; j++)
188                      //    ji[j] = oldJi_[3*i + j] + dt2 * (Tb[j] * OOPSEConstant::energyConvert - oldJi_[3*i+j]*chi);

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