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root/OpenMD/trunk/src/brains/BlockSnapshotManager.cpp
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Comparing trunk/src/brains/BlockSnapshotManager.cpp (file contents):
Revision 1793 by gezelter, Fri Aug 31 21:16:10 2012 UTC vs.
Revision 1963 by gezelter, Thu Jan 16 15:15:17 2014 UTC

# Line 35 | Line 35
35   *                                                                      
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).          
38 > * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).          
39   * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40   * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41   */
# Line 76 | Line 76 | namespace OpenMD {
76        // number of frames in each block given the need to hold multiple blocks
77        // in memory at the same time:
78        nSnapshotPerBlock_ = int(frameCapacity) / blockCapacity_;
79 +      if (nSnapshotPerBlock_ <= 0) {
80 +       std::cerr << "not enough memory to hold two configs!" << std::endl;
81 +      }
82        reader_ = new DumpReader(info, filename);
83        nframes_ = reader_->getNFrames();
84        int nblocks = nframes_ / nSnapshotPerBlock_;
# Line 225 | Line 228 | namespace OpenMD {
228    }
229  
230    Snapshot* BlockSnapshotManager::loadFrame(int frame){
231 <    Snapshot* snapshot = new Snapshot(nAtoms_, nRigidBodies_, nCutoffGroups_,
231 >    Snapshot* snapshot = new Snapshot(nAtoms_, nRigidBodies_, nCutoffGroups_,
232                                        getStorageLayout());
233      snapshot->setID(frame);
234      snapshot->clearDerivedProperties();
235      
233 –    /** @todo fixed me */
236      currentSnapshot_ = snapshot;  
237      reader_->readFrame(frame);
238  

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