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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 1665 by gezelter, Tue Nov 22 20:38:56 2011 UTC vs.
Revision 1794 by gezelter, Thu Sep 6 19:44:06 2012 UTC

# Line 53 | Line 53 | namespace OpenMD {
53    void RigidBody::setPrevA(const RotMat3x3d& a) {
54      ((snapshotMan_->getPrevSnapshot())->*storage_).aMat[localIndex_] = a;
55      
56 <    for (int i =0 ; i < atoms_.size(); ++i){
56 >    for (unsigned int i = 0 ; i < atoms_.size(); ++i){
57        if (atoms_[i]->isDirectional()) {
58          atoms_[i]->setPrevA(refOrients_[i].transpose() * a);
59        }
# Line 65 | Line 65 | namespace OpenMD {
65    void RigidBody::setA(const RotMat3x3d& a) {
66      ((snapshotMan_->getCurrentSnapshot())->*storage_).aMat[localIndex_] = a;
67  
68 <    for (int i =0 ; i < atoms_.size(); ++i){
68 >    for (unsigned int i = 0 ; i < atoms_.size(); ++i){
69        if (atoms_[i]->isDirectional()) {
70          atoms_[i]->setA(refOrients_[i].transpose() * a);
71        }
# 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 <    
80 <    for (int i =0 ; i < atoms_.size(); ++i){
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);
81        }
# Line 229 | Line 227 | namespace OpenMD {
227      Vector3d frc(0.0);
228      Vector3d trq(0.0);    
229      Vector3d pos = this->getPos();
230 <    for (int i = 0; i < atoms_.size(); i++) {
230 >    for (unsigned int i = 0; i < atoms_.size(); i++) {
231  
232        afrc = atoms_[i]->getFrc();
233        apos = atoms_[i]->getPos();
# Line 264 | Line 262 | namespace OpenMD {
262      Vector3d pos = this->getPos();
263      Mat3x3d tau_(0.0);
264  
265 <    for (int i = 0; i < atoms_.size(); i++) {
265 >    for (unsigned int i = 0; i < atoms_.size(); i++) {
266        
267        afrc = atoms_[i]->getFrc();
268        apos = atoms_[i]->getPos();
# Line 376 | Line 374 | namespace OpenMD {
374  
375  
376      Vector3d velRot;        
377 <    for (int i =0 ; i < refCoords_.size(); ++i) {
377 >    for (unsigned int i = 0 ; i < refCoords_.size(); ++i) {
378        atoms_[i]->setVel(rbVel + mat * refCoords_[i]);
379      }
380  
# Line 405 | Line 403 | namespace OpenMD {
403  
404  
405      Vector3d velRot;        
406 <    for (int i =0 ; i < refCoords_.size(); ++i) {
406 >    for (unsigned int i = 0 ; i < refCoords_.size(); ++i) {
407        atoms_[i]->setVel(rbVel + mat * refCoords_[i], frame);
408      }
409  

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