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root/OpenMD/trunk/src/applications/dynamicProps/ParticleTimeCorrFunc.hpp
Revision: 1596
Committed: Mon Jul 25 17:30:53 2011 UTC (14 years, 1 month ago) by gezelter
File size: 2796 byte(s)
Log Message:
Updated the BlockSnapshotManager to use a specified memory footprint
in constructor and not to rely on physmem and residentMem to figure
out free memory. DynamicProps is the only program that uses the
BlockSnapshotManager, so substantial changes were needed there as
well.


File Contents

# User Rev Content
1 tim 333 /*
2     * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
3     *
4     * The University of Notre Dame grants you ("Licensee") a
5     * non-exclusive, royalty free, license to use, modify and
6     * redistribute this software in source and binary code form, provided
7     * that the following conditions are met:
8     *
9 gezelter 1390 * 1. Redistributions of source code must retain the above copyright
10 tim 333 * notice, this list of conditions and the following disclaimer.
11     *
12 gezelter 1390 * 2. Redistributions in binary form must reproduce the above copyright
13 tim 333 * notice, this list of conditions and the following disclaimer in the
14     * documentation and/or other materials provided with the
15     * distribution.
16     *
17     * This software is provided "AS IS," without a warranty of any
18     * kind. All express or implied conditions, representations and
19     * warranties, including any implied warranty of merchantability,
20     * fitness for a particular purpose or non-infringement, are hereby
21     * excluded. The University of Notre Dame and its licensors shall not
22     * be liable for any damages suffered by licensee as a result of
23     * using, modifying or distributing the software or its
24     * derivatives. In no event will the University of Notre Dame or its
25     * licensors be liable for any lost revenue, profit or data, or for
26     * direct, indirect, special, consequential, incidental or punitive
27     * damages, however caused and regardless of the theory of liability,
28     * arising out of the use of or inability to use software, even if the
29     * University of Notre Dame has been advised of the possibility of
30     * such damages.
31 gezelter 1390 *
32     * SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your
33     * research, please cite the appropriate papers when you publish your
34     * work. Good starting points are:
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).
39     * [4] Vardeman & Gezelter, in progress (2009).
40 tim 333 */
41     #ifndef APPLICATIONS_DYNAMICPROPS_PARTICLETIMECORRFUNC_HPP
42     #define APPLICATIONS_DYNAMICPROPS_PARTICLETIMECORRFUNC_HPP
43    
44     #include "applications/dynamicProps/TimeCorrFunc.hpp"
45    
46 gezelter 1390 namespace OpenMD {
47 tim 333
48 gezelter 507 class ParticleTimeCorrFunc : public TimeCorrFunc {
49     public:
50     ParticleTimeCorrFunc(SimInfo* info, const std::string& filename,
51 gezelter 1596 const std::string& sele1, const std::string& sele2,
52     int storageLayout, long long int memSize);
53 tim 333
54 xsun 1183 private:
55 gezelter 507 virtual void correlateFrames(int frame1, int frame2);
56 tim 963 virtual RealType calcCorrVal(int frame1, int frame2, StuntDouble* sd1, StuntDouble* sd2) = 0;
57 tim 333
58 gezelter 507 int nSelected_;
59     };
60 tim 333
61     }
62     #endif
63    

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