--- trunk/src/integrators/Velocitizer.cpp 2005/05/30 14:01:52 555 +++ trunk/src/integrators/Velocitizer.cpp 2005/09/22 00:08:03 622 @@ -157,7 +157,7 @@ namespace oopse { removeComDrift(); // Remove angular drift if we are not using periodic boundary conditions. - if(simParams->getPBC()) removeAngularDrift(); + if(!simParams->getPBC()) removeAngularDrift(); } @@ -202,14 +202,18 @@ namespace oopse { info_->getInertiaTensor(inertiaTensor,angularMomentum); // We now need the inverse of the inertia tensor. - + /* std::cerr << "Angular Momentum before is " - << angularMomentum << std::endl; - + << angularMomentum << std::endl; + std::cerr << "Inertia Tensor before is " + << inertiaTensor << std::endl; + */ - inertiaTensor.inverse(); - - + inertiaTensor =inertiaTensor.inverse(); + /* + std::cerr << "Inertia Tensor after inverse is " + << inertiaTensor << std::endl; + */ omega = inertiaTensor*angularMomentum; SimInfo::MoleculeIterator i; @@ -231,9 +235,10 @@ namespace oopse { } angularMomentum = info_->getAngularMomentum(); + /* std::cerr << "Angular Momentum after is " << angularMomentum << std::endl; - + */ }