ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
Loading...
Searching...
No Matches
smooth_step.cpp
Go to the documentation of this file.
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 smooth_step.hpp
24 */
25#include "smooth_step.hpp"
26
27#ifdef SMOOTH_STEP
29
30#include <stdexcept>
31
33 double cutoff, double d, int n,
34 double k0)
35 : eps{eps}, sig{sig}, cut{cutoff}, d{d}, n{n}, k0{k0} {
36 if (eps < 0.) {
37 throw std::domain_error("SmoothStep parameter 'eps' has to be >= 0");
38 }
39 if (sig < 0.) {
40 throw std::domain_error("SmoothStep parameter 'sig' has to be >= 0");
41 }
42 if (cutoff < 0.) {
43 throw std::domain_error("SmoothStep parameter 'cutoff' has to be >= 0");
44 }
45}
46
47#endif // SMOOTH_STEP
Various procedures concerning interactions between particles.
Routines to calculate the smooth step potential between particle pairs.
SmoothStep_Parameters()=default