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* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). |
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* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). |
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* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). |
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* [4] Vardeman & Gezelter, in progress (2009). |
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* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). |
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* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
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*/ |
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#ifndef BRAINS_BLOCKSNAPSHOTMANAGER_HPP |
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#define BRAINS_BLOCKSNAPSHOTMANAGER_HPP |
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class BlockSnapshotManager : public SnapshotManager{ |
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public: |
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< |
BlockSnapshotManager(SimInfo* info, const std::string& filename, int storageLayout, int blockCapacity = 2); |
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> |
BlockSnapshotManager(SimInfo* info, const std::string& filename, int storageLayout, long long int memSize, int blockCapacity = 2); |
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~BlockSnapshotManager(); |
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virtual Snapshot* getSnapshot(int id); |
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SimInfo* info_; |
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int blockCapacity_; |
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+ |
long long int memSize_; |
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std::vector<Snapshot*> snapshots_; |
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std::vector<SnapshotBlock> blocks_; |
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int nAtoms_; |
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int nRigidBodies_; |
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+ |
int nCutoffGroups_; |
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DumpReader* reader_; |
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int nframes_; |