--- trunk/test/brains/Atom.cpp 2004/10/23 23:09:46 147 +++ branches/development/test/brains/Atom.cpp 2010/07/09 23:08:25 1465 @@ -1,7 +1,7 @@ /* - * Copyright (C) 2000-2004 Object Oriented Parallel Simulation Engine (OOPSE) project + * Copyright (C) 2000-2009 The Open Molecular Dynamics Engine (OpenMD) project * - * Contact: oopse@oopse.org + * Contact: gezelter@openscience.org * * This program is free software; you can redistribute it and/or * modify it under the terms of the GNU Lesser General Public License @@ -23,9 +23,10 @@ * */ -namespace oopse { +#include "primitives/Atom.hpp" +namespace OpenMD { -Atom::Atom() : objType_(otAtom), storage_(&Snapshot::atomData){ +Atom::Atom(AtomType* at) : StuntDouble(otAtom, &Snapshot::atomData) ,atomType_(at) { } @@ -33,10 +34,6 @@ Mat3x3d Atom::getI() { return Mat3x3d::identity(); } -void Atom::setI(Mat3x3d& I) { - //warning message -} - std::vector Atom::getGrad() { vector grad(3); Vector3d force= getFrc();