MRMD
0.4.0
Multi Resolution Molecular Dynamics
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simulationSetup.hpp
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// Copyright 2024 Sebastian Eibl
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// Copyright 2026 Julian Friedrich Hille
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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 "
data/Subdomain.hpp
"
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#include "
datatypes.hpp
"
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namespace
mrmd
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{
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namespace
util
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{
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data::Atoms
fillDomainWithAtoms
(
const
data::Subdomain& subdomain,
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const
idx_t
& numAtoms,
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const
real_t
& maxVelocity,
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const
real_t
& inputMass);
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}
// namespace util
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}
// namespace mrmd
Atoms.hpp
Subdomain.hpp
datatypes.hpp
mrmd::data::Atoms
DeviceAtoms Atoms
Definition
Atoms.hpp:177
mrmd::util::fillDomainWithAtoms
data::Atoms fillDomainWithAtoms(const data::Subdomain &subdomain, const idx_t &numAtoms, const real_t &maxVelocity, const real_t &inputMass)
Definition
simulationSetup.cpp:22
mrmd
Definition
BerendsenBarostat.cpp:18
mrmd::idx_t
int64_t idx_t
Definition
datatypes.hpp:91
mrmd::real_t
double real_t
Definition
datatypes.hpp:99
mrmd
util
simulationSetup.hpp
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