UseTheForce/DarkSide/shapes_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. 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).                        
 */
 
/**
 * @file shapes_module.h
 * @author Dan Gezelter
 * @date 10/19/2004
 * @version 1.0
 */

#ifndef USETHEFORCE_DARKSIDE_SHAPES_INTERFACE_H
#define USETHEFORCE_DARKSIDE_SHAPES_INTERFACE_H

#define __OPENMD_C

#include "config.h"

#define makeShape FC_FUNC(makeshape, MAKESHAPE)
#define completeShapeFF FC_FUNC(completeshapeff, COMPLETESHAPEFF)
#define destroyShapeTypes FC_FUNC(destroyshapetypes, DESTROYSHAPETYPES)

#define SH_COS 0
#define SH_SIN 1

extern "C" {

  void makeShape(int* nContactFuncs, 
                 int* ContactFuncLValue, 
                 int* ContactFuncMValue, 
                 int* ContactFunctionType, 
                 RealType* ContactFuncCoefficient, 
                 int* nRangeFuncs, 
                 int* RangeFuncLValue,
                 int* RangeFuncMValue, 
                 int* RangeFunctionType, 
                 RealType* RangeFuncCoefficient, 
                 int* nStrengthFuncs, 
                 int* StrengthFuncLValue, 
                 int* StrengthFuncMValue, 
                 int* StrengthFunctionType, 
                 RealType* StrengthFuncCoefficient,
                 int* c_ident, 
                 int* status);

  void completeShapeFF( int* status);
  void destroyShapeTypes(void);
}
    
#endif
Revision:	1442
Committed:	Mon May 10 17:28:26 2010 UTC (14 years, 11 months ago) by gezelter
Content type:	text/plain
File size:	3380 byte(s)
Log Message:	Adding property set to svn entries
#	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. 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	/**
43	* @file shapes_module.h
44	* @author Dan Gezelter
45	* @date 10/19/2004
46	* @version 1.0
47	*/
48
49	#ifndef USETHEFORCE_DARKSIDE_SHAPES_INTERFACE_H
50	#define USETHEFORCE_DARKSIDE_SHAPES_INTERFACE_H
51
52	#define __OPENMD_C
53
54	#include "config.h"
55
56	#define makeShape FC_FUNC(makeshape, MAKESHAPE)
57	#define completeShapeFF FC_FUNC(completeshapeff, COMPLETESHAPEFF)
58	#define destroyShapeTypes FC_FUNC(destroyshapetypes, DESTROYSHAPETYPES)
59
60	#define SH_COS 0
61	#define SH_SIN 1
62
63	extern "C" {
64
65	void makeShape(int* nContactFuncs,
66	int* ContactFuncLValue,
67	int* ContactFuncMValue,
68	int* ContactFunctionType,
69	RealType* ContactFuncCoefficient,
70	int* nRangeFuncs,
71	int* RangeFuncLValue,
72	int* RangeFuncMValue,
73	int* RangeFunctionType,
74	RealType* RangeFuncCoefficient,
75	int* nStrengthFuncs,
76	int* StrengthFuncLValue,
77	int* StrengthFuncMValue,
78	int* StrengthFunctionType,
79	RealType* StrengthFuncCoefficient,
80	int* c_ident,
81	int* status);
82
83	void completeShapeFF( int* status);
84	void destroyShapeTypes(void);
85	}
86
87	#endif