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root/OpenMD/trunk/src/integrators/NPT.cpp
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Comparing trunk/src/integrators/NPT.cpp (file contents):
Revision 546 by tim, Sun May 29 00:06:14 2005 UTC vs.
Revision 963 by tim, Wed May 17 21:51:42 2006 UTC

# Line 66 | Line 66 | namespace oopse {
66  
67        Globals* simParams = info_->getSimParams();
68      
69 <      if (!simParams->getUseInitXSstate()) {
69 >      if (!simParams->getUseIntialExtendedSystemState()) {
70          Snapshot* currSnapshot = info_->getSnapshotManager()->getCurrentSnapshot();
71          currSnapshot->setChi(0.0);
72          currSnapshot->setIntegralOfChiDt(0.0);
# Line 137 | Line 137 | namespace oopse {
137      Molecule* mol;
138      StuntDouble* integrableObject;
139      Vector3d Tb, ji;
140 <    double mass;
140 >    RealType mass;
141      Vector3d vel;
142      Vector3d pos;
143      Vector3d frc;
# Line 256 | Line 256 | namespace oopse {
256      Vector3d sc;
257      Vector3d vel;
258      Vector3d frc;
259 <    double mass;
259 >    RealType mass;
260  
261  
262      chi= currentSnapshot_->getChi();
263      integralOfChidt = currentSnapshot_->getIntegralOfChiDt();
264 <    double oldChi  = chi;
265 <    double prevChi;
264 >    RealType oldChi  = chi;
265 >    RealType prevChi;
266  
267      loadEta();
268      

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