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root/OpenMD/branches/development/src/rnemd/RNEMD.cpp
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Comparing branches/development/src/rnemd/RNEMD.cpp (file contents):
Revision 1855 by gezelter, Tue Apr 2 18:31:51 2013 UTC vs.
Revision 1856 by gezelter, Tue Apr 2 21:30:34 2013 UTC

# Line 1621 | Line 1621 | namespace OpenMD {
1621                      rPos = (*sdi)->getPos() - coordinateOrigin_;
1622                      vel = ((*sdi)->getVel() - vh - cross(omegah, rPos)) * h
1623                        + ah + cross(bh, rPos);    
1624                    cerr << "setting vel to " << vel << "\n";
1624                      (*sdi)->setVel(vel);
1625                      if (rnemdFluxType_ == rnemdFullKE) {
1626                        if ((*sdi)->isDirectional()) {
# Line 1718 | Line 1717 | namespace OpenMD {
1717      if (!doRNEMD_) return;
1718      trialCount_++;
1719  
1721    cerr << "trialCount = " << trialCount_ << "\n";
1720      // object evaluator:
1721      evaluator_.loadScriptString(rnemdObjectSelection_);
1722      seleMan_.setSelectionSet(evaluator_.evaluate());
# Line 1764 | Line 1762 | namespace OpenMD {
1762      if (!doRNEMD_) return;
1763      Snapshot* currentSnap_ = info_->getSnapshotManager()->getCurrentSnapshot();
1764      
1767    cerr << "collecting data\n";
1765      // collectData can be called more frequently than the doRNEMD, so use the
1766      // computed area from the last exchange time:
1767      RealType area = getDividingArea();

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