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1 | < | /* |
1 | > | /* |
2 | * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. | |
3 | * | |
4 | * The University of Notre Dame grants you ("Licensee") a | |
# | Line 6 | Line 6 | |
6 | * redistribute this software in source and binary code form, provided | |
7 | * that the following conditions are met: | |
8 | * | |
9 | < | * 1. Acknowledgement of the program authors must be made in any |
10 | < | * publication of scientific results based in part on use of the |
11 | < | * program. An acceptable form of acknowledgement is citation of |
12 | < | * the article in which the program was described (Matthew |
13 | < | * A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher |
14 | < | * J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented |
15 | < | * Parallel Simulation Engine for Molecular Dynamics," |
16 | < | * J. Comput. Chem. 26, pp. 252-271 (2005)) |
17 | < | * |
18 | < | * 2. Redistributions of source code must retain the above copyright |
9 | > | * 1. Redistributions of source code must retain the above copyright |
10 | * notice, this list of conditions and the following disclaimer. | |
11 | * | |
12 | < | * 3. Redistributions in binary form must reproduce the above copyright |
12 | > | * 2. Redistributions in binary form must reproduce the above copyright |
13 | * notice, this list of conditions and the following disclaimer in the | |
14 | * documentation and/or other materials provided with the | |
15 | * distribution. | |
# | Line 37 | Line 28 | |
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 | + | * |
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 | */ | |
41 | ||
42 | #ifndef MATH_PARALLELRANDNUMGEN_HPP | |
# | Line 46 | Line 46 | |
46 | ||
47 | #include "utils/simError.h" | |
48 | #include "math/RandNumGen.hpp" | |
49 | – | #ifdef IS_MPI |
49 | ||
50 | < | namespace oopse { |
51 | < | |
52 | < | |
53 | < | |
54 | < | /** |
55 | < | * @class ParallelRandNumGen a parallel random number generator |
56 | < | * @note use SeqRandNumGen if you want a non-parallel random number generator. |
57 | < | */ |
58 | < | class ParallelRandNumGen : public RandNumGen{ |
59 | < | public: |
60 | < | typedef unsigned long uint32; |
61 | < | |
62 | < | ParallelRandNumGen( const uint32& oneSeed); |
63 | < | |
64 | < | ParallelRandNumGen(); |
65 | < | |
66 | < | virtual void seed( const uint32 oneSeed ); |
67 | < | |
68 | < | virtual void seed(); |
69 | < | |
70 | < | private: |
71 | < | |
72 | < | ParallelRandNumGen(const ParallelRandNumGen&); |
73 | < | ParallelRandNumGen& operator =(const ParallelRandNumGen&); |
74 | < | |
75 | < | static int nCreatedRNG_; /**< number of created random number of generator*/ |
76 | < | int myRank_; /**@todo Fixed Me */ |
77 | < | }; |
78 | < | |
50 | > | namespace OpenMD { |
51 | > | |
52 | > | /** |
53 | > | * @class ParallelRandNumGen a parallel random number generator |
54 | > | * @note use SeqRandNumGen if you want a non-parallel random number |
55 | > | * generator. |
56 | > | */ |
57 | > | class ParallelRandNumGen : public RandNumGen{ |
58 | > | public: |
59 | > | typedef unsigned long uint32; |
60 | > | |
61 | > | ParallelRandNumGen( const uint32& oneSeed); |
62 | > | |
63 | > | ParallelRandNumGen(); |
64 | > | |
65 | > | virtual void seed( const uint32 oneSeed ); |
66 | > | |
67 | > | virtual void seed(); |
68 | > | |
69 | > | private: |
70 | > | |
71 | > | ParallelRandNumGen(const ParallelRandNumGen&); |
72 | > | ParallelRandNumGen& operator =(const ParallelRandNumGen&); |
73 | > | |
74 | > | static int nCreatedRNG_; /**< number of random number |
75 | > | generators created */ |
76 | > | int myRank_; |
77 | > | }; |
78 | > | |
79 | } | |
81 | – | #endif |
82 | – | |
80 | #endif |
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