--- trunk/src/brains/SimSnapshotManager.hpp 2005/01/12 22:41:40 246 +++ trunk/src/brains/SimSnapshotManager.hpp 2009/11/25 20:02:06 1390 @@ -1,4 +1,4 @@ - /* +/* * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. * * The University of Notre Dame grants you ("Licensee") a @@ -6,19 +6,10 @@ * redistribute this software in source and binary code form, provided * that the following conditions are met: * - * 1. Acknowledgement of the program authors must be made in any - * publication of scientific results based in part on use of the - * program. An acceptable form of acknowledgement is citation of - * the article in which the program was described (Matthew - * A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher - * J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented - * Parallel Simulation Engine for Molecular Dynamics," - * J. Comput. Chem. 26, pp. 252-271 (2005)) - * - * 2. Redistributions of source code must retain the above copyright + * 1. Redistributions of source code must retain the above copyright * notice, this list of conditions and the following disclaimer. * - * 3. Redistributions in binary form must reproduce the above copyright + * 2. Redistributions in binary form must reproduce the above copyright * notice, this list of conditions and the following disclaimer in the * documentation and/or other materials provided with the * distribution. @@ -37,45 +28,55 @@ * arising out of the use of or inability to use software, even if the * University of Notre Dame has been advised of the possibility of * such damages. + * + * SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your + * research, please cite the appropriate papers when you publish your + * work. Good starting points are: + * + * [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005). + * [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006). + * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008). + * [4] Vardeman & Gezelter, in progress (2009). */ - /** - * @file SimSnapshotManager.hpp - * @author tlin - * @date 10/20/2004 - * @time 23:56am - * @version 1.0 - */ +/** + * @file SimSnapshotManager.hpp + * @author tlin + * @date 10/20/2004 + * @time 23:56am + * @version 1.0 + */ #ifndef BRAINS_SIMSNAPSHOTMANAGER_HPP #define BRAINS_SIMSNAPSHOTMANAGER_HPP #include "brains/Snapshot.hpp" #include "brains/SnapshotManager.hpp" -namespace oopse{ +namespace OpenMD{ -//forward declaration -class SimInfo; - /** - * @class SimSnapshotManager SimSnapshotManager.hpp "brains/SimSnapshotManager.hpp" - * @brief SimSnapshotManager class is the concrete snapshot manager for actual simulation - * SimSnapshotManager only maintains two snapshots. - * @see PropSimSnapshotManager - */ - class SimSnapshotManager : public SnapshotManager { - public: - SimSnapshotManager(SimInfo* info); - virtual bool advance(); + //forward declaration + class SimInfo; + /** + * @class SimSnapshotManager SimSnapshotManager.hpp "brains/SimSnapshotManager.hpp" + * @brief SimSnapshotManager class is the concrete snapshot manager for actual simulation + * SimSnapshotManager only maintains two snapshots. + * @see PropSimSnapshotManager + */ + class SimSnapshotManager : public SnapshotManager { + public: + SimSnapshotManager(SimInfo* info, int storageLayout = 511); + ~SimSnapshotManager(); + virtual bool advance(); - virtual Snapshot* getSnapshot(int id); + virtual Snapshot* getSnapshot(int id); - virtual int getCapacity(); + virtual int getCapacity(); - virtual void setCapacity(int capacity); + virtual void setCapacity(int capacity); - private: - SimInfo* info_; - }; + private: + SimInfo* info_; + }; } #endif //BRAINS_SIMSNAPSHOTMANAGER_HPP