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/* |
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* Copyright (C) 2000-2004 Object Oriented Parallel Simulation Engine (OOPSE) project |
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* |
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* Contact: oopse@oopse.org |
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* |
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* This program is free software; you can redistribute it and/or |
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* modify it under the terms of the GNU Lesser General Public License |
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* as published by the Free Software Foundation; either version 2.1 |
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* of the License, or (at your option) any later version. |
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* All we ask is that proper credit is given for our work, which includes |
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* - but is not limited to - adding the above copyright notice to the beginning |
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* of your source code files, and to any copyright notice that you may distribute |
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* with programs based on this work. |
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* |
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* This program 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 Lesser General Public License for more details. |
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* |
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* You should have received a copy of the GNU Lesser General Public License |
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* along with this program; if not, write to the Free Software |
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* Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA. |
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* |
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*/ |
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#ifdef IS_MPI |
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#include <mpi.h> |
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#endif |
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#include "integrators/NPTf.hpp" |
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#include "integrators/NPTxyz.hpp" |
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#include "UseTheForce/DUFF.hpp" |
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#include "UseTheForce/EAM.hpp" |
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#include "UseTheForce/ForceFieldCreator.hpp" |
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using namespace oopse; |
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#endif |
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/** @todo move to a seperate initialization module */ |
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//DUFF, WATER and LJ are merged into one force field |
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ForceFieldBuilder<DUFF> DUFFCreator("DUFF"); |
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ForceFieldBuilder<DUFF> WATERCreator("WATER"); |
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ForceFieldBuilder<DUFF> LJCreator("LJ"); |
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ForceFieldBuilder<DUFF> EAMCreator("EAM"); |
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//in theory, EAM can also be merged |
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ForceFieldBuilder<EAM> EAMCreator("EAM"); |
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IntegratorBuilder<NVE> NVECreator("NVE"); |
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IntegratorBuilder<NVT> NVTCreator("NVT"); |