applications/hydrodynamics/BeadModel.hpp


/*
 * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
 *
 * The University of Notre Dame grants you ("Licensee") a
 * non-exclusive, royalty free, license to use, modify and
 * redistribute this software in source and binary code form, provided
 * that the following conditions are met:
 *
 * 1. Redistributions of source code must retain the above copyright
 *    notice, this list of conditions and the following disclaimer.
 *
 * 2. Redistributions in binary form must reproduce the above copyright
 *    notice, this list of conditions and the following disclaimer in the
 *    documentation and/or other materials provided with the
 *    distribution.
 *
 * This software is provided "AS IS," without a warranty of any
 * kind. All express or implied conditions, representations and
 * warranties, including any implied warranty of merchantability,
 * fitness for a particular purpose or non-infringement, are hereby
 * excluded.  The University of Notre Dame and its licensors shall not
 * be liable for any damages suffered by licensee as a result of
 * using, modifying or distributing the software or its
 * derivatives. In no event will the University of Notre Dame or its
 * licensors be liable for any lost revenue, profit or data, or for
 * direct, indirect, special, consequential, incidental or punitive
 * damages, however caused and regardless of the theory of liability,
 * arising out of the use of or inability to use software, even if the
 * University of Notre Dame has been advised of the possibility of
 * such damages.
 *
 * SUPPORT OPEN SCIENCE!  If you use OpenMD or its source code in your
 * research, please cite the appropriate papers when you publish your
 * work.  Good starting points are:
 *                                                                      
 * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).             
 * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
 * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
 * [4]  Vardeman & Gezelter, in progress (2009).                        
 */
#ifndef APPLICATION_HYDRODYNAMICS_BEADMODEL_HPP
#define APPLICATION_HYDRODYNAMICS_BEADMODEL_HPP

#include "applications/hydrodynamics/ApproximationModel.hpp"
#include "utils/ElementsTable.hpp"

namespace OpenMD {

class BeadModel : public ApproximationModel {
    public:
        BeadModel(StuntDouble* sd, SimInfo* info) : ApproximationModel(sd, info) {}
    private:
        virtual bool createBeads(std::vector<BeadParam>& beads);
        bool createSingleBead(Atom* atom, std::vector<BeadParam>& beads);        
};

}

#endif
Revision:	1465
Committed:	Fri Jul 9 23:08:25 2010 UTC (14 years, 10 months ago) by chuckv
File size:	2646 byte(s)
Log Message:	Creating busticated version of OpenMD
#	User	Rev	Content
1	tim	898
2			/*
3			* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
4			*
5			* The University of Notre Dame grants you ("Licensee") a
6			* non-exclusive, royalty free, license to use, modify and
7			* redistribute this software in source and binary code form, provided
8			* that the following conditions are met:
9			*
10	gezelter	1390	* 1. Redistributions of source code must retain the above copyright
11	tim	898	* notice, this list of conditions and the following disclaimer.
12			*
13	gezelter	1390	* 2. Redistributions in binary form must reproduce the above copyright
14	tim	898	* notice, this list of conditions and the following disclaimer in the
15			* documentation and/or other materials provided with the
16			* distribution.
17			*
18			* This software is provided "AS IS," without a warranty of any
19			* kind. All express or implied conditions, representations and
20			* warranties, including any implied warranty of merchantability,
21			* fitness for a particular purpose or non-infringement, are hereby
22			* excluded. The University of Notre Dame and its licensors shall not
23			* be liable for any damages suffered by licensee as a result of
24			* using, modifying or distributing the software or its
25			* derivatives. In no event will the University of Notre Dame or its
26			* licensors be liable for any lost revenue, profit or data, or for
27			* direct, indirect, special, consequential, incidental or punitive
28			* damages, however caused and regardless of the theory of liability,
29			* arising out of the use of or inability to use software, even if the
30			* University of Notre Dame has been advised of the possibility of
31			* such damages.
32	gezelter	1390	*
33			* SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your
34			* research, please cite the appropriate papers when you publish your
35			* work. Good starting points are:
36			*
37			* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
38			* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
39			* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).
40			* [4] Vardeman & Gezelter, in progress (2009).
41	tim	898	*/
42			#ifndef APPLICATION_HYDRODYNAMICS_BEADMODEL_HPP
43			#define APPLICATION_HYDRODYNAMICS_BEADMODEL_HPP
44
45	tim	906	#include "applications/hydrodynamics/ApproximationModel.hpp"
46	gezelter	1210	#include "utils/ElementsTable.hpp"
47	tim	898
48	gezelter	1390	namespace OpenMD {
49	tim	898
50	tim	906	class BeadModel : public ApproximationModel {
51	tim	898	public:
52	tim	906	BeadModel(StuntDouble* sd, SimInfo* info) : ApproximationModel(sd, info) {}
53	tim	898	private:
54			virtual bool createBeads(std::vector<BeadParam>& beads);
55			bool createSingleBead(Atom* atom, std::vector<BeadParam>& beads);
56			};
57
58			}
59
60			#endif