ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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PropagationMode.hpp
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1/*
2 * Copyright (C) 2023 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
22namespace PropagationMode {
23/** @brief Flags to create bitmasks for propagation modes. */
24enum PropagationMode : int {
25 NONE = 0,
27 TRANS_NEWTON = 1 << 1,
35 ROT_EULER = 1 << 10,
36 ROT_LANGEVIN = 1 << 11,
37 ROT_VS_RELATIVE = 1 << 12,
38 ROT_BROWNIAN = 1 << 13,
39 ROT_STOKESIAN = 1 << 14,
40};
41} // namespace PropagationMode
42
43/** @brief Integrator identifier. */
51
52/** @brief Thermostat flags. */
53enum ThermostatFlags : int {
58 THERMO_LB = 1 << 3,
59 THERMO_SD = 1 << 4,
60 THERMO_DPD = 1 << 5,
61 THERMO_BOND = 1 << 6,
62};
IntegratorSwitch
Integrator identifier.
@ INTEG_METHOD_SD
@ INTEG_METHOD_NPT_ISO
@ INTEG_METHOD_STEEPEST_DESCENT
@ INTEG_METHOD_NVT
@ INTEG_METHOD_BD
ThermostatFlags
Thermostat flags.
@ THERMO_SD
@ THERMO_BROWNIAN
@ THERMO_BOND
@ THERMO_LB
@ THERMO_LANGEVIN
@ THERMO_DPD
@ THERMO_NPT_ISO
@ THERMO_OFF
PropagationMode
Flags to create bitmasks for propagation modes.