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. 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.
 */
 
/**
 * @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 __C

#include "config.h"

#define makeShape F90_FUNC(makeshape, MAKESHAPE)
#define completeShapeFF F90_FUNC(completeshapeff, COMPLETESHAPEFF)


#define SH_COS 0
#define SH_SIN 1

extern "C" {

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

  void completeShapeFF( int* status);
}
    
#endif
Revision:	1930
Committed:	Wed Jan 12 22:41:40 2005 UTC (19 years, 6 months ago) by gezelter
Content type:	text/plain
File size:	3225 byte(s)
Log Message:	merging new_design branch into OOPSE-2.0
#	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	/**
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 __C
53
54	#include "config.h"
55
56	#define makeShape F90_FUNC(makeshape, MAKESHAPE)
57	#define completeShapeFF F90_FUNC(completeshapeff, COMPLETESHAPEFF)
58
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	double* ContactFuncCoefficient,
70	int* nRangeFuncs,
71	int* RangeFuncLValue,
72	int* RangeFuncMValue,
73	int* RangeFunctionType,
74	double* RangeFuncCoefficient,
75	int* nStrengthFuncs,
76	int* StrengthFuncLValue,
77	int* StrengthFuncMValue,
78	int* StrengthFunctionType,
79	double* StrengthFuncCoefficient,
80	int* myAtid,
81	int* status);
82
83	void completeShapeFF( int* status);
84	}
85
86	#endif