ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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tuning.hpp
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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
22#pragma once
23
24#include "system/System.hpp"
25
26#include <stdexcept>
27#include <string>
28
29class TuningFailed : public std::runtime_error {
30 std::string get_first_error() const;
31
32public:
33 TuningFailed() : std::runtime_error{get_first_error()} {}
34};
35
36/**
37 * @brief Benchmark the integration loop.
38 * Call @ref System::System::integrate() several times and measure the elapsed
39 * time without propagating the system. It therefore doesn't include e.g.
40 * Verlet list updates.
41 * @param system The system to tune.
42 * @param int_steps Number of integration steps.
43 * @return Average time per integration loop in milliseconds.
44 */
45double benchmark_integration_step(System::System &system, int int_steps);
Main system class.
double benchmark_integration_step(System::System &system, int int_steps)
Benchmark the integration loop.
Definition tuning.cpp:73