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, 5 months ago) by gezelter
Content type:	text/plain
File size:	3225 byte(s)
Log Message:	merging new_design branch into OOPSE-2.0
#	User	Rev	Content
1	gezelter	1930	/*
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	gezelter	1608	/**
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	chuckv	1617	#define makeShape F90_FUNC(makeshape, MAKESHAPE)
57	chrisfen	1647	#define completeShapeFF F90_FUNC(completeshapeff, COMPLETESHAPEFF)
58	chuckv	1617
59	gezelter	1650
60	gezelter	1608	#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	chuckv	1617	int* status);
82	chrisfen	1647
83			void completeShapeFF( int* status);
84	gezelter	1608	}
85
86			#endif