MRMD 0.4.0
Multi Resolution Molecular Dynamics
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Fluctuation.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
18#include "datatypes.hpp"
19
20namespace mrmd
21{
22namespace analysis
23{
24real_t getFluctuation(const data::MultiHistogram& hist,
25 const real_t& reference,
26 const idx_t& specimen);
27
28} // namespace analysis
29} // namespace mrmd
real_t getFluctuation(const data::MultiHistogram &hist, const real_t &reference, const idx_t &specimen)
Definition Fluctuation.cpp:23
Definition BerendsenBarostat.cpp:18
int64_t idx_t
Definition datatypes.hpp:91
double real_t
Definition datatypes.hpp:99