# | Line 5 | Line 5 | |
---|---|---|
5 | * redistribute this software in source and binary code form, provided | |
6 | * that the following conditions are met: | |
7 | * | |
8 | < | * 1. Acknowledgement of the program authors must be made in any |
9 | < | * publication of scientific results based in part on use of the |
10 | < | * program. An acceptable form of acknowledgement is citation of |
11 | < | * the article in which the program was described (Matthew |
12 | < | * A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher |
13 | < | * J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented |
14 | < | * Parallel Simulation Engine for Molecular Dynamics," |
15 | < | * J. Comput. Chem. 26, pp. 252-271 (2005)) |
16 | < | * |
17 | < | * 2. Redistributions of source code must retain the above copyright |
8 | > | * 1. Redistributions of source code must retain the above copyright |
9 | * notice, this list of conditions and the following disclaimer. | |
10 | * | |
11 | < | * 3. Redistributions in binary form must reproduce the above copyright |
11 | > | * 2. Redistributions in binary form must reproduce the above copyright |
12 | * notice, this list of conditions and the following disclaimer in the | |
13 | * documentation and/or other materials provided with the | |
14 | * distribution. | |
# | Line 37 | Line 28 | |
28 | * University of Notre Dame has been advised of the possibility of | |
29 | * such damages. | |
30 | * | |
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, 24107 (2008). |
38 | + | * [4] Vardeman & Gezelter, in progress (2009). |
39 | * | |
40 | + | * |
41 | * ConvexHull.hpp | |
42 | * | |
43 | * Purpose: To calculate convexhull, hull volume using the QuickHull algorithm provided by QHull. | |
44 | * | |
45 | * Created by Charles F. Vardeman II on 11 Dec 2006. | |
46 | * @author Charles F. Vardeman II | |
47 | < | * @version $Id: ConvexHull.hpp,v 1.18 2009-10-20 20:05:28 chuckv Exp $ |
47 | > | * @version $Id: ConvexHull.hpp,v 1.19 2009-11-25 20:02:01 gezelter Exp $ |
48 | * | |
49 | */ | |
50 | ||
# | Line 61 | Line 61 | |
61 | #include <string> | |
62 | ||
63 | ||
64 | < | namespace oopse { |
64 | > | namespace OpenMD { |
65 | class ConvexHull : public Hull { | |
66 | public: | |
67 |
– | Removed lines |
+ | Added lines |
< | Changed lines |
> | Changed lines |