# | Line 6 | Line 6 | |
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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 UTILS_TUPLE_HPP | |
43 | #define UTILS_TUPLE_HPP | |
44 | ||
45 | < | namespace oopse { |
45 | > | namespace OpenMD { |
46 | ||
47 | template <class T1, class T2, class T3> | |
48 | struct tuple3 { | |
# | Line 92 | Line 92 | inline bool operator < (const tuple3<T1, T2, T3>& t1, | |
92 | || (!(t2.first < t1.first) && !(t2.second < t2.second) && t1.third < t2.third); | |
93 | } | |
94 | ||
95 | + | |
96 | + | inline bool operator < (const tuple3<int, int, std::vector<std::string> >& t1, const tuple3<int, int, std::vector<std::string> >& t2) { |
97 | + | |
98 | + | if (t1.first < t2.first) |
99 | + | return true; |
100 | + | else { |
101 | + | if (t1.first > t2.first) |
102 | + | return false; |
103 | + | |
104 | + | if (t1.second < t2.second) |
105 | + | return true; |
106 | + | else |
107 | + | if (t1.second > t2.second) |
108 | + | return false; |
109 | + | |
110 | + | return true; |
111 | + | } |
112 | + | } |
113 | + | |
114 | template<class T1, class T2, class T3, class T4> | |
115 | inline bool operator < (const tuple4<T1, T2, T3, T4>& t1, const tuple4<T1, T2, T3, T4>& t2) { | |
116 |
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