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root/group/trunk/OOPSE/libmdtools/SimSetup.cpp
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Comparing trunk/OOPSE/libmdtools/SimSetup.cpp (file contents):
Revision 1451 by gezelter, Fri Jul 16 16:29:44 2004 UTC vs.
Revision 1452 by tim, Mon Aug 23 15:11:36 2004 UTC

# Line 1834 | Line 1834 | void SimSetup::makeIntegrator(void){
1834            myNVE = new ZConstraint<NVE<RealIntegrator> >(&(info[k]), the_ff);
1835          }
1836          else{
1837 <          myNVE = new NVE<RealIntegrator>(&(info[k]), the_ff);
1837 >          if (globals->haveQuaternion()){
1838 >            if (globals->getUseQuaternion())
1839 >              info->the_integrator = new NVE<SQSIntegrator<RealIntegrator> >(&(info[k]), the_ff);
1840 >          }
1841 >          else
1842 >            info->the_integrator = new NVE<RealIntegrator>(&(info[k]), the_ff);
1843 >          break;
1844 >
1845 >          //myNVE = new NVE<RealIntegrator>(&(info[k]), the_ff);
1846          }
1847          
1848          info->the_integrator = myNVE;

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