ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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hat.cpp
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1/*
2 * Copyright (C) 2010-2022 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/** \file
22 *
23 * Implementation of \ref hat.hpp
24 */
25#include "hat.hpp"
26
27#ifdef HAT
29
30#include <stdexcept>
31
32Hat_Parameters::Hat_Parameters(double F_max, double cutoff)
33 : Fmax{F_max}, r{cutoff} {
34 if (F_max < 0.) {
35 throw std::domain_error("Hat parameter 'F_max' has to be >= 0");
36 }
37 if (cutoff < 0.) {
38 throw std::domain_error("Hat parameter 'cutoff' has to be >= 0");
39 }
40}
41
42#endif // HAT
Routines to calculate the hat potential between particle pairs.
Various procedures concerning interactions between particles.
Hat_Parameters()=default