OpenMD 3.1
Molecular Dynamics in the Open
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FCCLattice.hpp
1/*
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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_FCCLATTICE_HPP
46#define LATTICE_FCCLATTICE_HPP
47
48#include <string>
49#include <vector>
50
51#include "lattice/CubicLattice.hpp"
52
53namespace OpenMD {
54
55 class FCCLattice : public CubicLattice {
56 public:
57 FCCLattice();
58 virtual void update();
59 };
60} // namespace OpenMD
61
62#endif
This basic Periodic Table class was originally taken from the data.cpp file in OpenBabel.