ESPResSo
Extensible Simulation Package for Research on Soft Matter Systems
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DPDStress.hpp
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/*
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* Copyright (C) 2010-2022 The ESPResSo project
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*
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* This file is part of ESPResSo.
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*
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* ESPResSo is free software: you can redistribute it and/or modify
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* it under the terms of the GNU General Public License as published by
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* the Free Software Foundation, either version 3 of the License, or
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* (at your option) any later version.
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*
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* ESPResSo is distributed in the hope that it will be useful,
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* but WITHOUT ANY WARRANTY; without even the implied warranty of
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* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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* GNU General Public License for more details.
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*
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* You should have received a copy of the GNU General Public License
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* along with this program. If not, see <http://www.gnu.org/licenses/>.
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*/
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#pragma once
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#include <
config/config.hpp
>
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#ifdef ESPRESSO_DPD
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#include "
Observable.hpp
"
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#include "
dpd.hpp
"
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#include "system/System.hpp"
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#include <cstddef>
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#include <vector>
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namespace
Observables
{
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class
DPDStress
:
public
Observable
{
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public
:
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std::vector<std::size_t>
shape
()
const override
{
return
{3, 3}; }
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std::vector<double>
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operator()
(boost::mpi::communicator
const
&comm)
const override
{
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return
dpd_stress
(
System::get_system
(), comm);
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}
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};
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}
// Namespace Observables
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#endif
// ESPRESSO_DPD
Observables::DPDStress
Definition
DPDStress.hpp:34
Observables::DPDStress::operator()
std::vector< double > operator()(boost::mpi::communicator const &comm) const override
Definition
DPDStress.hpp:38
Observables::DPDStress::shape
std::vector< std::size_t > shape() const override
Definition
DPDStress.hpp:36
Observables::Observable
Base class for observables.
Definition
core/observables/Observable.hpp:42
config.hpp
dpd_stress
Utils::Vector9d dpd_stress(System::System &system, boost::mpi::communicator const &comm)
Viscous stress tensor of the DPD interaction.
Definition
dpd.cpp:159
dpd.hpp
Routines to use DPD as thermostat or pair force .
Observables
Definition
BondAngles.hpp:37
System::get_system
System & get_system()
Definition
core/system/System.cpp:137
Observable.hpp
src
core
observables
DPDStress.hpp
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