MRMD 0.4.0
Multi Resolution Molecular Dynamics
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UpdateGhostAtoms.hpp
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1// Copyright 2024 Sebastian Eibl
2//
3// Licensed under the Apache License, Version 2.0 (the "License");
4// you may not use this file except in compliance with the License.
5// You may obtain a copy of the License at
6//
7// https://www.apache.org/licenses/LICENSE-2.0
8//
9// Unless required by applicable law or agreed to in writing, software
10// distributed under the License is distributed on an "AS IS" BASIS,
11// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
12// See the License for the specific language governing permissions and
13// limitations under the License.
14
15#pragma once
16
17#include <Kokkos_Core.hpp>
18#include <cassert>
19
20#include "data/Atoms.hpp"
21#include "data/Subdomain.hpp"
22
23namespace mrmd
24{
25namespace communication
26{
27namespace impl
28{
29namespace UpdateGhostAtoms
30{
31void updateOnlyPos(data::Atoms& atoms,
32 const IndexView& correspondingRealAtom,
33 const data::Subdomain& subdomain);
34
35} // namespace UpdateGhostAtoms
36} // namespace impl
37} // namespace communication
38} // namespace mrmd
void updateOnlyPos(data::Atoms &atoms, const IndexView &correspondingRealAtom, const data::Subdomain &subdomain)
Definition UpdateGhostAtoms.cpp:31
DeviceAtoms Atoms
Definition Atoms.hpp:177
Definition BerendsenBarostat.cpp:18
Kokkos::View< idx_t * > IndexView
Definition datatypes.hpp:153