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root/OpenMD/branches/development/src/primitives/RigidBody.cpp
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Comparing branches/development/src/primitives/RigidBody.cpp (file contents):
Revision 1767 by gezelter, Fri Jul 6 22:01:58 2012 UTC vs.
Revision 1798 by gezelter, Thu Sep 13 14:10:11 2012 UTC

# Line 74 | Line 74 | namespace OpenMD {
74    
75    void RigidBody::setA(const RotMat3x3d& a, int snapshotNo) {
76      ((snapshotMan_->getSnapshot(snapshotNo))->*storage_).aMat[localIndex_] = a;
77 <    
78 <    //((snapshotMan_->getSnapshot(snapshotNo))->*storage_).electroFrame[localIndex_] = a.transpose() * sU_;    
79 <    
77 >        
78      for (unsigned int i = 0 ; i < atoms_.size(); ++i){
79        if (atoms_[i]->isDirectional()) {
80          atoms_[i]->setA(refOrients_[i].transpose() * a, snapshotNo);
# Line 94 | Line 92 | namespace OpenMD {
92      Vector3d force;
93      Vector3d torque;
94      Vector3d myEuler;
95 <    RealType phi, theta, psi;
95 >    RealType phi, theta;
96 >    // RealType psi;
97      RealType cphi, sphi, ctheta, stheta;
98      Vector3d ephi;
99      Vector3d etheta;
# Line 106 | Line 105 | namespace OpenMD {
105      
106      phi = myEuler[0];
107      theta = myEuler[1];
108 <    psi = myEuler[2];
108 >    // psi = myEuler[2];
109      
110      cphi = cos(phi);
111      sphi = sin(phi);

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