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/* |
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* Copyright (C) 2000-2004 Object Oriented Parallel Simulation Engine (OOPSE) project |
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* Copyright (C) 2000-2009 The Open Molecular Dynamics Engine (OpenMD) project |
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* |
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* Contact: oopse@oopse.org |
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* Contact: gezelter@openscience.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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* |
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*/ |
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namespace oopse { |
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#include "primitives/Atom.hpp" |
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namespace OpenMD { |
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Atom::Atom() : objType_(otAtom), storage_(&Snapshot::atomData){ |
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Atom::Atom(AtomType* at) : StuntDouble(otAtom, &Snapshot::atomData) ,atomType_(at) { |
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} |
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return Mat3x3d::identity(); |
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} |
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void Atom::setI(Mat3x3d& I) { |
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//warning message |
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} |
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std::vector<double> Atom::getGrad() { |
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vector<double> grad(3); |
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Vector3d force= getFrc(); |
