ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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config.hpp
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1/*
2 * Copyright (C) 2010-2025 The ESPResSo project
3 * Copyright (C) 2002,2003,2004,2005,2006,2007,2008,2009,2010
4 * Max-Planck-Institute for Polymer Research, Theory Group
5 *
6 * This file is part of ESPResSo.
7 *
8 * ESPResSo is free software: you can redistribute it and/or modify
9 * it under the terms of the GNU General Public License as published by
10 * the Free Software Foundation, either version 3 of the License, or
11 * (at your option) any later version.
12 *
13 * ESPResSo is distributed in the hope that it will be useful,
14 * but WITHOUT ANY WARRANTY; without even the implied warranty of
15 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
16 * GNU General Public License for more details.
17 *
18 * You should have received a copy of the GNU General Public License
19 * along with this program. If not, see <http://www.gnu.org/licenses/>.
20 */
21#ifndef ESPRESSO_CONFIG_HPP
22#define ESPRESSO_CONFIG_HPP
23
24/* Prevent C++ bindings in MPI (there is a DataType called LB in there) */
25#ifndef OMPI_SKIP_MPICXX
26#define OMPI_SKIP_MPICXX
27#endif
28#ifndef MPICH_SKIP_MPICXX
29#define MPICH_SKIP_MPICXX
30#endif
31
32#include "config/config-features.hpp"
33
34/**
35 * @brief Precision below which a double-precision float is assumed to be zero.
36 * Used in comparisons to determine if two floating-point numbers are equal.
37 */
38inline constexpr auto round_error_prec = 1e-14;
39
40/**
41 * @brief Special cutoff value for an inactive interaction.
42 * Non-bonded potentials that have this cutoff are never evaluated.
43 */
44inline constexpr double inactive_cutoff = -1.;
45
46/**
47 * @brief Special cutoff value for an inactive bond.
48 * Bonds that have this cutoff are never evaluated.
49 */
50inline constexpr double bonded_inactive_cutoff = -1.;
51
52#endif // ESPRESSO_CONFIG_HPP
constexpr double bonded_inactive_cutoff
Special cutoff value for an inactive bond.
Definition config.hpp:50
constexpr auto round_error_prec
Precision below which a double-precision float is assumed to be zero.
Definition config.hpp:38
constexpr double inactive_cutoff
Special cutoff value for an inactive interaction.
Definition config.hpp:44