MRMD 0.4.0
Multi Resolution Molecular Dynamics
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ContributeMoleculeForceToAtoms.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 "data/Atoms.hpp"
18#include "data/Molecules.hpp"
19#include "datatypes.hpp"
20
21namespace mrmd
22{
23namespace action
24{
25namespace ContributeMoleculeForceToAtoms
26{
27void update(const data::Molecules& molecules, const data::Atoms& atoms);
28} // namespace ContributeMoleculeForceToAtoms
29} // namespace action
30} // namespace mrmd
void update(const data::Molecules &molecules, const data::Atoms &atoms)
Definition ContributeMoleculeForceToAtoms.cpp:23
DeviceAtoms Atoms
Definition Atoms.hpp:177
DeviceMolecules Molecules
Definition Molecules.hpp:176
Definition BerendsenBarostat.cpp:18