OpenMD 3.1
Molecular Dynamics in the Open
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RandNumGen.hpp
1/*
2 * Copyright (c) 2004-present, The University of Notre Dame. All rights
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31 * SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your
32 * research, please cite the appropriate papers when you publish your
33 * work. Good starting points are:
34 *
35 * [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
36 * [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
37 * [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).
38 * [4] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
39 * [5] Kuang & Gezelter, Mol. Phys., 110, 691-701 (2012).
40 * [6] Lamichhane, Gezelter & Newman, J. Chem. Phys. 141, 134109 (2014).
41 * [7] Lamichhane, Newman & Gezelter, J. Chem. Phys. 141, 134110 (2014).
42 * [8] Bhattarai, Newman & Gezelter, Phys. Rev. B 99, 094106 (2019).
43 */
44
45#ifndef OPENMD_UTILS_RANDNUMGEN_HPP
46#define OPENMD_UTILS_RANDNUMGEN_HPP
47
48#include <memory>
49#include <random>
50
51namespace OpenMD {
52 namespace Utils {
53
54 /**
55 * Minimize the interface for the standard library's Mersenne Twister
56 * PRNG while maintaining the @c UniformRandomBitGenerator named
57 * requirement.
58 */
59 class RandNumGen {
60 public:
61 // Required to conform to the UniformRandomBitGenerator definition
62 using result_type = std::mt19937::result_type;
63
64 static constexpr result_type min() { return std::mt19937::min(); }
65 static constexpr result_type max() { return std::mt19937::max(); }
66
67 public:
68 explicit RandNumGen(result_type seed);
69
70 result_type operator()() { return engine(); }
71
72 private:
73 std::mt19937 engine;
74 };
75
76 using RandNumGenPtr = std::shared_ptr<RandNumGen>;
77 } // namespace Utils
78} // namespace OpenMD
79
80#endif // OPENMD_UTILS_RANDNUMGEN_HPP
Minimize the interface for the standard library's Mersenne Twister PRNG while maintaining the Uniform...
This basic Periodic Table class was originally taken from the data.cpp file in OpenBabel.