UseTheForce/DarkSide/suttonchen_interface.h

/*
 * 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. Acknowledgement of the program authors must be made in any
 *    publication of scientific results based in part on use of the
 *    program.  An acceptable form of acknowledgement is citation of
 *    the article in which the program was described (Matthew
 *    A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
 *    J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
 *    Parallel Simulation Engine for Molecular Dynamics,"
 *    J. Comput. Chem. 26, pp. 252-271 (2005))
 *
 * 2. Redistributions of source code must retain the above copyright
 *    notice, this list of conditions and the following disclaimer.
 *
 * 3. 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.
 *
 *
 *  suttonchen_interface.h
 *  OOPSE-2.0
 *
 *  Created by Charles F. Vardeman II on 11/10/05.
 *  @author  Charles F. Vardeman II 
 *  @version $Id: suttonchen_interface.h,v 1.1 2005-11-14 21:29:32 chuckv Exp $
 *
 */
#ifndef USETHEFORCE_DARKSIDE_SUTTONCHEN_INTERFACE_H
#define USETHEFORCE_DARKSIDE_SUTTONCHEN_INTERFACE_H

#define __C

#include "config.h"

#define newSCtype F90_FUNC(newsctype, NEWSCTYPE)
#define useSCGeometricMixing F90_FUNC(usescgeometricmixing, USESCGEOMETRICMIXING)
#define destroySCypes F90_FUNC(destroysctypes, DESTROYSCTYPES)

extern "C"{
  void newSCtype( int* ident,
                  double* c,
                  double* m,
                  double* n,
                  double* alpha,
                  double* epsilon,                  
                  int* status);
  
  void useSCGeometricMixing( );
  void destroySCTypes( void );
}  
#endif
Revision:	2427
Committed:	Mon Nov 14 21:29:36 2005 UTC (18 years, 7 months ago) by chuckv
Content type:	text/plain
File size:	2953 byte(s)
Log Message:	Sutton-Chen almost done. Just need to fix do_forces to use Sutton-Chen.
#	Content
1	/*
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	* 1. Acknowledgement of the program authors must be made in any
10	* publication of scientific results based in part on use of the
11	* program. An acceptable form of acknowledgement is citation of
12	* the article in which the program was described (Matthew
13	* A. Meineke, Charles F. Vardeman II, Teng Lin, Christopher
14	* J. Fennell and J. Daniel Gezelter, "OOPSE: An Object-Oriented
15	* Parallel Simulation Engine for Molecular Dynamics,"
16	* J. Comput. Chem. 26, pp. 252-271 (2005))
17	*
18	* 2. Redistributions of source code must retain the above copyright
19	* notice, this list of conditions and the following disclaimer.
20	*
21	* 3. Redistributions in binary form must reproduce the above copyright
22	* notice, this list of conditions and the following disclaimer in the
23	* documentation and/or other materials provided with the
24	* distribution.
25	*
26	* This software is provided "AS IS," without a warranty of any
27	* kind. All express or implied conditions, representations and
28	* warranties, including any implied warranty of merchantability,
29	* fitness for a particular purpose or non-infringement, are hereby
30	* excluded. The University of Notre Dame and its licensors shall not
31	* be liable for any damages suffered by licensee as a result of
32	* using, modifying or distributing the software or its
33	* derivatives. In no event will the University of Notre Dame or its
34	* licensors be liable for any lost revenue, profit or data, or for
35	* direct, indirect, special, consequential, incidental or punitive
36	* damages, however caused and regardless of the theory of liability,
37	* arising out of the use of or inability to use software, even if the
38	* University of Notre Dame has been advised of the possibility of
39	* such damages.
40	*
41	*
42	* suttonchen_interface.h
43	* OOPSE-2.0
44	*
45	* Created by Charles F. Vardeman II on 11/10/05.
46	* @author Charles F. Vardeman II
47	* @version $Id: suttonchen_interface.h,v 1.1 2005-11-14 21:29:32 chuckv Exp $
48	*
49	*/
50	#ifndef USETHEFORCE_DARKSIDE_SUTTONCHEN_INTERFACE_H
51	#define USETHEFORCE_DARKSIDE_SUTTONCHEN_INTERFACE_H
52
53	#define __C
54
55	#include "config.h"
56
57	#define newSCtype F90_FUNC(newsctype, NEWSCTYPE)
58	#define useSCGeometricMixing F90_FUNC(usescgeometricmixing, USESCGEOMETRICMIXING)
59	#define destroySCypes F90_FUNC(destroysctypes, DESTROYSCTYPES)
60
61	extern "C"{
62	void newSCtype( int* ident,
63	double* c,
64	double* m,
65	double* n,
66	double* alpha,
67	double* epsilon,
68	int* status);
69
70	void useSCGeometricMixing( );
71	void destroySCTypes( void );
72	}
73	#endif