MRMD 0.4.0
Multi Resolution Molecular Dynamics
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DumpThermoForce.hpp
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1// Copyright 2024 Sebastian Eibl
2// Copyright 2026 Julian Friedrich Hille
3//
4// Licensed under the Apache License, Version 2.0 (the "License");
5// you may not use this file except in compliance with the License.
6// You may obtain a copy of the License at
7//
8// https://www.apache.org/licenses/LICENSE-2.0
9//
10// Unless required by applicable law or agreed to in writing, software
11// distributed under the License is distributed on an "AS IS" BASIS,
12// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
13// See the License for the specific language governing permissions and
14// limitations under the License.
15
16#pragma once
17
18#include <fstream>
19
21#include "datatypes.hpp"
22
23namespace mrmd
24{
25namespace io
26{
27void dumpThermoForce(const std::string& filename,
28 const action::ThermodynamicForce& thermodynamicForce,
29 const idx_t& typeId);
30void dumpThermoForce(const std::string& filename,
31 const action::ThermodynamicForce& thermodynamicForce);
32} // namespace io
33} // namespace mrmd
void dumpThermoForce(const std::string &filename, const action::ThermodynamicForce &thermodynamicForce, const idx_t &typeId)
Definition DumpThermoForce.cpp:24
Definition BerendsenBarostat.cpp:18
int64_t idx_t
Definition datatypes.hpp:91