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root/OpenMD/branches/development/src/brains/BlockSnapshotManager.cpp
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Comparing branches/development/src/brains/BlockSnapshotManager.cpp (file contents):
Revision 1629 by gezelter, Wed Sep 14 21:15:17 2011 UTC vs.
Revision 1825 by gezelter, Wed Jan 9 19:27:52 2013 UTC

# Line 36 | Line 36
36   * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).            
37   * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
38   * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
39 < * [4]  Vardeman & Gezelter, in progress (2009).                        
39 > * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40 > * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41   */
42   #include <algorithm>
43   #include "brains/BlockSnapshotManager.hpp"
# Line 70 | Line 71 | namespace OpenMD {
71  
72        // total number of frames that can fit in memory
73        //RealType frameCapacity = avaliablePhysMem / bytesPerFrame;
74 <      RealType frameCapacity = memSize_ / bytesPerFrame;
74 >      RealType frameCapacity = (RealType) memSize_ / (RealType) bytesPerFrame;
75  
76        // number of frames in each block given the need to hold multiple blocks
77        // in memory at the same time:
# Line 150 | Line 151 | namespace OpenMD {
151        //if number of active blocks is less than the block capacity, just load it
152        internalLoad(block);
153        loadSuccess = true;
154 <    } else if (hasZeroRefBlock() > 0) {
154 >    } else if ( hasZeroRefBlock() ) {
155        //if already reach the block capacity, need to unload a block with 0 reference
156        int zeroRefBlock = getFirstZeroRefBlock();
157        assert(zeroRefBlock != -1);
# Line 224 | Line 225 | namespace OpenMD {
225    }
226  
227    Snapshot* BlockSnapshotManager::loadFrame(int frame){
228 <    Snapshot* snapshot = new Snapshot(nAtoms_, nRigidBodies_, nCutoffGroups_, getStorageLayout());
228 >    Snapshot* snapshot = new Snapshot(nAtoms_, nRigidBodies_, nCutoffGroups_,
229 >                                      getStorageLayout());
230      snapshot->setID(frame);
231 +    snapshot->clearDerivedProperties();
232      
230 –    /** @todo fixed me */
231 –    Snapshot* oldSnapshot = currentSnapshot_;
233      currentSnapshot_ = snapshot;  
234      reader_->readFrame(frame);
235  
235 –    // What was this for?  It doesn't make sense!
236 –    //currentSnapshot_ = oldSnapshot;
237 –
236      return snapshot;
237    }
238  

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