OpenMD 3.1
Molecular Dynamics in the Open
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InteractionTimeCorrFunc.cpp
1/*
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 * 1. Redistributions of source code must retain the above copyright
10 * notice, this list of conditions and the following disclaimer.
11 *
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.
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17 * This software is provided "AS IS," without a warranty of any
18 * kind. All express or implied conditions, representations and
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21 * excluded. The University of Notre Dame and its licensors shall not
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23 * using, modifying or distributing the software or its
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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, 234107 (2008).
39 * [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010).
40 * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41 */
42
43#include "applications/dynamicProps/InteractionTimeCorrFunc.hpp"
44
45namespace OpenMD {
46
47 InteractionTimeCorrFunc::InteractionTimeCorrFunc(SimInfo * info,
48 const std::string & filename,
49 const std::string & sele1,
50 int storageLayout,
51 long long int memSize)
52 : TimeCorrFunc(info, filename, sele1, sele1, storageLayout, memSize){
53
54 }
55
56}
57
This basic Periodic Table class was originally taken from the data.cpp file in OpenBabel.