/*
 * Project: MoleCuilder
 * Description: creates and alters molecular systems
 * Copyright (C)  2010 University of Bonn. All rights reserved.
 * Please see the LICENSE file or "Copyright notice" in builder.cpp for details.
 */

/*
 * molecule_dynamics.cpp
 *
 *  Created on: Oct 5, 2009
 *      Author: heber
 */

// include config.h
#ifdef HAVE_CONFIG_H
#include <config.h>
#endif

#include "CodePatterns/MemDebug.hpp"

#include "World.hpp"
#include "atom.hpp"
#include "config.hpp"
#include "Dynamics/MinimiseConstrainedPotential.hpp"
//#include "element.hpp"
#include "CodePatterns/Info.hpp"
//#include "CodePatterns/Verbose.hpp"
//#include "CodePatterns/Log.hpp"
#include "molecule.hpp"
#include "parser.hpp"
//#include "LinearAlgebra/Plane.hpp"
#include "ThermoStatContainer.hpp"
#include "Thermostats/Berendsen.hpp"

#include "CodePatterns/enumeration.hpp"

/************************************* Functions for class molecule *********************************/