ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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VelocityVerlet.cpp
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/*
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* Copyright (C) 2022 The ESPResSo project
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*
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* This file is part of ESPResSo.
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*
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* ESPResSo is free software: you can redistribute it and/or modify
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* it under the terms of the GNU General Public License as published by
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* the Free Software Foundation, either version 3 of the License, or
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* (at your option) any later version.
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*
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* ESPResSo is distributed in the hope that it will be useful,
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* but WITHOUT ANY WARRANTY; without even the implied warranty of
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* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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* GNU General Public License for more details.
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*
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* You should have received a copy of the GNU General Public License
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* along with this program. If not, see <http://www.gnu.org/licenses/>.
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*/
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#include "
VelocityVerlet.hpp
"
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#include "
script_interface/ScriptInterface.hpp
"
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#include "
core/PropagationMode.hpp
"
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#include "
core/integrators/Propagation.hpp
"
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namespace
ScriptInterface
{
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namespace
Integrators {
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void
VelocityVerlet::activate
() {
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get_system().
propagation
->set_integ_switch(
INTEG_METHOD_NVT
);
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}
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}
// namespace Integrators
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}
// namespace ScriptInterface
PropagationMode.hpp
INTEG_METHOD_NVT
@ INTEG_METHOD_NVT
Definition
PropagationMode.hpp:46
Propagation.hpp
ScriptInterface.hpp
VelocityVerlet.hpp
ScriptInterface::Integrators::VelocityVerlet::activate
void activate() override
Definition
VelocityVerlet.cpp:30
System::System::propagation
std::shared_ptr< Propagation > propagation
Definition
core/system/System.hpp:281
ScriptInterface
Definition
script_interface/accumulators/AccumulatorBase.hpp:33
src
script_interface
integrators
VelocityVerlet.cpp
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