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root/OpenMD/branches/development/src/integrators/Integrator.cpp
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Comparing branches/development/src/integrators/Integrator.cpp (file contents):
Revision 1758 by gezelter, Wed Jun 20 13:55:52 2012 UTC vs.
Revision 1764 by gezelter, Tue Jul 3 18:32:27 2012 UTC

# Line 52 | Line 52 | namespace OpenMD {
52        needReset(false), velocitizer_(NULL), needVelocityScaling(false),
53        rnemd_(NULL), useRNEMD(false), rotAlgo_(NULL), flucQ_(NULL),
54        rattle_(NULL), dumpWriter(NULL), statWriter(NULL), thermo(info),
55 <      currentSnapshot_(info->getSnapshotManager()->getCurrentSnapshot()) {
55 >      snap(info->getSnapshotManager()->getCurrentSnapshot()) {
56      
57      simParams = info->getSimParams();
58      
# Line 94 | Line 94 | namespace OpenMD {
94      }
95      
96      if (!simParams->getUseInitalTime()) {
97 <      currentSnapshot_->setTime(0.0);
97 >      snap->setTime(0.0);
98      }
99      
100      if (simParams->haveResetTime()) {
# Line 142 | Line 142 | namespace OpenMD {
142      
143      rotAlgo_ = new DLM();
144      rattle_ = new Rattle(info);
145 <    //forceMan_->initialize();
146 <    flucQ_ = new FluctuatingChargeNVT(info, forceMan_);
145 >    flucQ_ = new FluctuatingChargeNVT(info);
146 >    flucQ_->setForceManager(forceMan_);
147    }
148    
149    Integrator::~Integrator(){

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