MRMD
0.4.0
Multi Resolution Molecular Dynamics
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LimitAcceleration.hpp
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// Copyright 2024 Sebastian Eibl
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//
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// Licensed under the Apache License, Version 2.0 (the "License");
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// you may not use this file except in compliance with the License.
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// You may obtain a copy of the License at
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//
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// https://www.apache.org/licenses/LICENSE-2.0
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//
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// Unless required by applicable law or agreed to in writing, software
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// distributed under the License is distributed on an "AS IS" BASIS,
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// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
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// See the License for the specific language governing permissions and
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// limitations under the License.
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#pragma once
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#include "
data/Atoms.hpp
"
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#include "
datatypes.hpp
"
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namespace
mrmd::action
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{
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void
limitAccelerationPerComponent
(
data::Atoms
& atoms,
const
real_t
& maxAccelerationPerComponent);
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}
// namespace mrmd::action
Atoms.hpp
datatypes.hpp
mrmd::action
Definition
BerendsenBarostat.cpp:20
mrmd::action::limitAccelerationPerComponent
void limitAccelerationPerComponent(data::Atoms &atoms, const real_t &maxAccelerationPerComponent)
Definition
LimitAcceleration.cpp:21
mrmd::data::Atoms
DeviceAtoms Atoms
Definition
Atoms.hpp:177
mrmd::real_t
double real_t
Definition
datatypes.hpp:99
mrmd
action
LimitAcceleration.hpp
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