src/parallel/SystemDecomposition.hpp

/*
 * Copyright (c) 2011 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 PARALLEL_SYSTEMDECOMPOSITION_HPP
#define PARALLEL_SYSTEMDECOMPOSITION_HPP


using namespace std;
namespace OpenMD {
  
  /**
   * @class SystemDecomposition 
   *
   * SystemDecomposition is an interface for passing out and
   * collecting information from many processors for use during
   * integration and computation of physical properties.  This is
   * distinct from the data that is passed out and maintained by a
   * ForceDecomposition during the force loop.
   *
   *  distributeObjects          (parallel communication - one time only)
   */
  class SystemDecomposition {
  public:

    SystemDecomposition(SimInfo* info) : info_(info) {}
    virtual ~SystemDecomposition() {}
    
    virtual void distributeObjects() = 0;    
    virtual Molecule* getMoleculeByGlobalIndex() = 0;
    
  };    
}
#endif
Revision:	1572
Committed:	Sun May 29 01:49:17 2011 UTC (13 years, 11 months ago) by gezelter
File size:	2942 byte(s)
Log Message:	Forgot some headers and other files
#	Content
1	/*
2	* Copyright (c) 2011 The University of Notre Dame. All Rights Reserved.
3	*
4	* The University of Notre Dame grants you ("Licensee") a
5	* non-exclusive, royalty free, license to use, modify and
6	* redistribute this software in source and binary code form, provided
7	* that the following conditions are met:
8	*
9	* 1. Redistributions of source code must retain the above copyright
10	* notice, this list of conditions and the following disclaimer.
11	*
12	* 2. Redistributions in binary form must reproduce the above copyright
13	* notice, this list of conditions and the following disclaimer in the
14	* documentation and/or other materials provided with the
15	* distribution.
16	*
17	* This software is provided "AS IS," without a warranty of any
18	* kind. All express or implied conditions, representations and
19	* warranties, including any implied warranty of merchantability,
20	* fitness for a particular purpose or non-infringement, are hereby
21	* excluded. The University of Notre Dame and its licensors shall not
22	* be liable for any damages suffered by licensee as a result of
23	* using, modifying or distributing the software or its
24	* derivatives. In no event will the University of Notre Dame or its
25	* licensors be liable for any lost revenue, profit or data, or for
26	* direct, indirect, special, consequential, incidental or punitive
27	* damages, however caused and regardless of the theory of liability,
28	* arising out of the use of or inability to use software, even if the
29	* University of Notre Dame has been advised of the possibility of
30	* such damages.
31	*
32	* SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your
33	* research, please cite the appropriate papers when you publish your
34	* work. Good starting points are:
35	*
36	* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
37	* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
38	* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).
39	* [4] Vardeman & Gezelter, in progress (2009).
40	*/
41
42	#ifndef PARALLEL_SYSTEMDECOMPOSITION_HPP
43	#define PARALLEL_SYSTEMDECOMPOSITION_HPP
44
45
46
47	using namespace std;
48	namespace OpenMD {
49
50	/**
51	* @class SystemDecomposition
52	*
53	* SystemDecomposition is an interface for passing out and
54	* collecting information from many processors for use during
55	* integration and computation of physical properties. This is
56	* distinct from the data that is passed out and maintained by a
57	* ForceDecomposition during the force loop.
58	*
59	* distributeObjects (parallel communication - one time only)
60	*/
61	class SystemDecomposition {
62	public:
63
64	SystemDecomposition(SimInfo* info) : info_(info) {}
65	virtual ~SystemDecomposition() {}
66
67	virtual void distributeObjects() = 0;
68	virtual Molecule* getMoleculeByGlobalIndex() = 0;
69
70	};
71	}
72	#endif