OpenMD
3.1
Molecular Dynamics in the Open
Loading...
Searching...
No Matches
BCCLattice.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:
7
*
8
* 1. Redistributions of source code must retain the above copyright notice,
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.
14
*
15
* 3. Neither the name of the copyright holder nor the names of its
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"
20
* AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
21
* IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
22
* ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE
23
* LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR
24
* CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF
25
* SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS
26
* INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN
27
* CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE)
28
* ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF ADVISED OF THE
29
* POSSIBILITY OF SUCH DAMAGE.
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, 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 LATTICE_BCCLATTICE_HPP
46
#define LATTICE_BCCLATTICE_HPP
47
48
#include <string>
49
#include <vector>
50
51
#include "lattice/CubicLattice.hpp"
52
53
namespace
OpenMD
{
54
55
class
BCCLattice
:
public
CubicLattice
{
56
public
:
57
BCCLattice
();
58
virtual
void
update();
59
};
60
}
// namespace OpenMD
61
62
#endif
OpenMD::BCCLattice
Definition
BCCLattice.hpp:55
OpenMD::CubicLattice
Definition
CubicLattice.hpp:55
OpenMD
This basic Periodic Table class was originally taken from the data.cpp file in OpenBabel.
Definition
ActionCorrFunc.cpp:60
lattice
BCCLattice.hpp
Generated on Wed Jun 26 2024 13:56:40 for OpenMD by
1.11.0