src/parallel/ForceDecomposition.hpp

/**
 * @file ForceDecomposition.cpp
 * @author Charles Vardeman <cvardema.at.nd.edu>
 * @date 08/18/2010
 * @time 11:56am
 * @version 1.0
 *
 * @section LICENSE
 * Copyright (c) 2010 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).                        
 */


/*  -*- c++ -*-  */
#ifndef FORCEDECOMPOSITION_PARALLEL_HPP
#define FORCEDECOMPOSITION_PARALLEL_HPP


namespace OpenMD{

class ForceDecomposition
{
 public:
  ForceDecomposition();
  virtual ~ForceDecomposition();
  void gather();
  void scatter();
  
 protected:
 private:
  int myRank_;
  static bool isColumn_;
  static int myIndex_:
};


}


#endif


Revision:	1538
Committed:	Tue Jan 11 18:58:12 2011 UTC (14 years, 3 months ago) by chuckv
File size:	2637 byte(s)
Log Message:	Adding parallel classes...
#	Content
1	/**
2	* @file ForceDecomposition.cpp
3	* @author Charles Vardeman <cvardema.at.nd.edu>
4	* @date 08/18/2010
5	* @time 11:56am
6	* @version 1.0
7	*
8	* @section LICENSE
9	* Copyright (c) 2010 The University of Notre Dame. All Rights Reserved.
10	*
11	* The University of Notre Dame grants you ("Licensee") a
12	* non-exclusive, royalty free, license to use, modify and
13	* redistribute this software in source and binary code form, provided
14	* that the following conditions are met:
15	*
16	* 1. Redistributions of source code must retain the above copyright
17	* notice, this list of conditions and the following disclaimer.
18	*
19	* 2. Redistributions in binary form must reproduce the above copyright
20	* notice, this list of conditions and the following disclaimer in the
21	* documentation and/or other materials provided with the
22	* distribution.
23	*
24	* This software is provided "AS IS," without a warranty of any
25	* kind. All express or implied conditions, representations and
26	* warranties, including any implied warranty of merchantability,
27	* fitness for a particular purpose or non-infringement, are hereby
28	* excluded. The University of Notre Dame and its licensors shall not
29	* be liable for any damages suffered by licensee as a result of
30	* using, modifying or distributing the software or its
31	* derivatives. In no event will the University of Notre Dame or its
32	* licensors be liable for any lost revenue, profit or data, or for
33	* direct, indirect, special, consequential, incidental or punitive
34	* damages, however caused and regardless of the theory of liability,
35	* arising out of the use of or inability to use software, even if the
36	* University of Notre Dame has been advised of the possibility of
37	* such damages.
38	*
39	* SUPPORT OPEN SCIENCE! If you use OpenMD or its source code in your
40	* research, please cite the appropriate papers when you publish your
41	* work. Good starting points are:
42	*
43	* [1] Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
44	* [2] Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
45	* [3] Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).
46	* [4] Vardeman & Gezelter, in progress (2009).
47	*/
48
49
50	/* -- c++ -- */
51	#ifndef FORCEDECOMPOSITION_PARALLEL_HPP
52	#define FORCEDECOMPOSITION_PARALLEL_HPP
53
54
55	namespace OpenMD{
56
57	class ForceDecomposition
58	{
59	public:
60	ForceDecomposition();
61	virtual ~ForceDecomposition();
62	void gather();
63	void scatter();
64
65	protected:
66	private:
67	int myRank_;
68	static bool isColumn_;
69	static int myIndex_:
70	};
71
72
73
74	}
75
76
77
78
79
80
81
82
83	#endif
84
85