OpenMD 3.2
Molecular Dynamics in the Open
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qhull.hpp
1/*
2 * Copyright (c) 2004-present, The University of Notre Dame. All rights
3 * reserved.
4 *
5 * Redistribution and use in source and binary forms, with or without
6 * modification, are permitted provided that the following conditions are met:
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9 * this list of conditions and the following disclaimer.
10 *
11 * 2. Redistributions in binary form must reproduce the above copyright notice,
12 * this list of conditions and the following disclaimer in the documentation
13 * and/or other materials provided with the distribution.
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16 * contributors may be used to endorse or promote products derived from
17 * this software without specific prior written permission.
18 *
19 * THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
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21 * IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
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28 * ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE
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30 *
31 * SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your
32 * research, please cite the following paper when you publish your work:
33 *
34 * [1] Drisko et al., J. Open Source Softw. 9, 7004 (2024).
35 *
36 * Good starting points for code and simulation methodology are:
37 *
38 * [2] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
39 * [3] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
40 * [4] Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).
41 * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
42 * [6] Kuang & Gezelter, Mol. Phys., 110, 691-701 (2012).
43 * [7] Lamichhane, Gezelter & Newman, J. Chem. Phys. 141, 134109 (2014).
44 * [8] Bhattarai, Newman & Gezelter, Phys. Rev. B 99, 094106 (2019).
45 * [9] Drisko & Gezelter, J. Chem. Theory Comput. 20, 4986-4997 (2024).
46 */
47
48/* Simple wrapper include file to get the right header files for qhull.
49 */
50
51#include <config.h>
52#ifdef HAVE_QHULL
53
54#ifndef MATH_QHULL_HPP
55#define MATH_QHULL_HPP
56
57#if defined __GNUC__
58#pragma GCC system_header
59#endif
60
61extern "C" {
62#ifdef HAVE_QHULL_REENTRANT
63#include "libqhull_r/geom_r.h"
64#include "libqhull_r/io_r.h"
65#include "libqhull_r/libqhull_r.h"
66#include "libqhull_r/mem_r.h"
67#include "libqhull_r/merge_r.h"
68#include "libqhull_r/poly_r.h"
69#include "libqhull_r/qset_r.h"
70#include "libqhull_r/stat_r.h"
71#else
72#ifdef HAVE_QHULL_2011
73#include "libqhull/geom.h"
74#include "libqhull/io.h"
75#include "libqhull/libqhull.h"
76#include "libqhull/mem.h"
77#include "libqhull/merge.h"
78#include "libqhull/poly.h"
79#include "libqhull/qset.h"
80#include "libqhull/stat.h"
81#else
82#include "qhull/geom.h"
83#include "qhull/io.h"
84#include "qhull/mem.h"
85#include "qhull/merge.h"
86#include "qhull/poly.h"
87#include "qhull/qhull.h"
88#include "qhull/qset.h"
89#include "qhull/stat.h"
90#endif
91#endif
92}
93
94#endif
95#endif