ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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core/ExclusionRadius.hpp
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1/*
2 * Copyright (C) 2022-2026 The ESPResSo project
3 *
4 * This file is part of ESPResSo.
5 *
6 * ESPResSo is free software: you can redistribute it and/or modify
7 * it under the terms of the GNU General Public License as published by
8 * the Free Software Foundation, either version 3 of the License, or
9 * (at your option) any later version.
10 *
11 * ESPResSo is distributed in the hope that it will be useful,
12 * but WITHOUT ANY WARRANTY; without even the implied warranty of
13 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
14 * GNU General Public License for more details.
15 *
16 * You should have received a copy of the GNU General Public License
17 * along with this program. If not, see <http://www.gnu.org/licenses/>.
18 */
19
20#pragma once
21
22#include <boost/mpi/communicator.hpp>
23
24#include <unordered_map>
25
27 boost::mpi::communicator const &m_comm;
28 double m_max_exclusion_range = 0.;
29 void recalc_derived_parameters();
30
31public:
32 using map_type = std::unordered_map<int, double>;
33 explicit ExclusionRadius(boost::mpi::communicator const &comm)
34 : m_comm{comm} {}
35 void set_exclusion_range(double range);
37 bool check_exclusion_range(int p_id, int p_type);
38 bool check_exclusion_range(int pid);
39
41 double exclusion_range = 0.;
43};
ExclusionRadius(boost::mpi::communicator const &comm)
void set_exclusion_range(double range)
std::unordered_map< int, double > map_type
bool check_exclusion_range(int p_id, int p_type)
Check if an inserted particle is too close to neighboring particles.
void set_exclusion_radius_per_type(map_type const &map)