src/UseTheForce/SHAPES_FF.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]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
 * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
 */
 
 /**
  * @file SHAPES_FF.hpp
  * @author chrisfen
  * @date 4/14/2005
  * @time 9:11am
  * @version 1.0
  */

#ifndef USETHEFORCE_SHAPES_FF_HPP
#define USETHEFORCE_SHAPES_FF_HPP

#include "UseTheForce/ForceField.hpp"
#include "io/SectionParserManager.hpp"
#include "UseTheForce/ForceFieldCreator.hpp"
#include "types/ShapeAtomType.hpp"
#include "io/ForceFieldOptions.hpp"

namespace OpenMD {

/**
 * @class SHAPES_FF SHAPES_FF.hpp "UseTheForce/SHAPES_FF.hpp"
 * @brief SHAPES Force Field Parser
 */
  class SHAPES_FF : public ForceField {
  public:
    SHAPES_FF();

    virtual void parse(const std::string& filename);

  private:
    SectionParserManager spMan_;
    
  };
  
} //end namespace OpenMD
#endif //USETHEFORCE_SHAPES_FF_HPP

Revision:	1665
Committed:	Tue Nov 22 20:38:56 2011 UTC (13 years, 5 months ago) by gezelter
File size:	2923 byte(s)
Log Message:	updated copyright notices
#	User	Rev	Content
1	chrisfen	512	/*
2			* Copyright (c) 2005 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	gezelter	1390	* 1. Redistributions of source code must retain the above copyright
10	chrisfen	512	* notice, this list of conditions and the following disclaimer.
11			*
12	gezelter	1390	* 2. Redistributions in binary form must reproduce the above copyright
13	chrisfen	512	* 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	gezelter	1390	*
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	gezelter	1665	* [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010).
40			* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41	chrisfen	512	*/
42
43			/**
44			* @file SHAPES_FF.hpp
45			* @author chrisfen
46			* @date 4/14/2005
47			* @time 9:11am
48			* @version 1.0
49			*/
50
51			#ifndef USETHEFORCE_SHAPES_FF_HPP
52			#define USETHEFORCE_SHAPES_FF_HPP
53
54			#include "UseTheForce/ForceField.hpp"
55			#include "io/SectionParserManager.hpp"
56			#include "UseTheForce/ForceFieldCreator.hpp"
57			#include "types/ShapeAtomType.hpp"
58	chuckv	801	#include "io/ForceFieldOptions.hpp"
59	chrisfen	512
60	gezelter	1390	namespace OpenMD {
61	chrisfen	512
62			/**
63			* @class SHAPES_FF SHAPES_FF.hpp "UseTheForce/SHAPES_FF.hpp"
64			* @brief SHAPES Force Field Parser
65			*/
66			class SHAPES_FF : public ForceField {
67			public:
68			SHAPES_FF();
69
70			virtual void parse(const std::string& filename);
71
72			private:
73			SectionParserManager spMan_;
74
75			};
76
77	gezelter	1390	} //end namespace OpenMD
78	chrisfen	512	#endif //USETHEFORCE_SHAPES_FF_HPP
79