OOPSE/libBASS/mpiBASS.h

#ifndef __MPIBASS_H
#define __MPIBASS_H

#define MPI_INTERFACE_ABORT 2
#define MPI_INTERFACE_DONE  1
#define MPI_INTERFACE_CONTINUE 0

#include <mpi.h>

#ifndef __is_lex__
#include "BASS_interface.h"
#endif

#ifdef __cplusplus
extern "C" {
#endif

  void mpiInterfaceExit(void);
  void mpiEventInit(void);
#ifndef __is_lex__
  void throwMPIEvent(event* event);
  void mpiEventLoop(void);
#endif

#ifdef __cplusplus
}
#endif

// Structure to pass mpi a BASS event

typedef struct mpiBASSEvent{
  int type;
  double d1,d2,d3;
  int    i1;
  char   cArray[120];
  char   lhs[80];
} mBEvent;

// types for mpiBASSEvent.type
#define mpiMOLECULE     0
#define mpiATOM         1
#define mpiBOND         2
#define mpiBEND         3
#define mpiTORSION      4
#define mpiCOMPONENT    5
#define mpiPOSITION     6
#define mpiASSIGNMENT_i 7
#define mpiASSIGNMENT_d 8
#define mpiASSIGNMENT_s 9
#define mpiMEMBERS      10
#define mpiCONSTRAINT   11
#define mpiORIENTATION  12
#define mpiBLOCK_END    13
#define mpiZCONSTRAINT  14
#define mpiRIGIDBODY    15
#define mpiCUTOFFGROUP  16
#define mpiMEMBER       17


// Define the mpi datatype
#ifdef __mpiBASSEVENT
MPI_Datatype mpiBASSEventType;
#endif

#endif
Revision:	1153
Committed:	Tue May 11 04:21:52 2004 UTC (20 years, 11 months ago) by gezelter
Content type:	text/plain
File size:	1193 byte(s)
Log Message:	BASS changes for adding CutoffGroups to molecules. Also restructured the plethora of cutoff radii into one cutoffRadius and one switchingRadius. Also removed the useMolecularCutoffs keyword
#	Content
1	#ifndef __MPIBASS_H
2	#define __MPIBASS_H
3
4	#define MPI_INTERFACE_ABORT 2
5	#define MPI_INTERFACE_DONE 1
6	#define MPI_INTERFACE_CONTINUE 0
7
8	#include <mpi.h>
9
10	#ifndef __is_lex__
11	#include "BASS_interface.h"
12	#endif
13
14	#ifdef __cplusplus
15	extern "C" {
16	#endif
17
18	void mpiInterfaceExit(void);
19	void mpiEventInit(void);
20	#ifndef __is_lex__
21	void throwMPIEvent(event* event);
22	void mpiEventLoop(void);
23	#endif
24
25	#ifdef __cplusplus
26	}
27	#endif
28
29	// Structure to pass mpi a BASS event
30
31	typedef struct mpiBASSEvent{
32	int type;
33	double d1,d2,d3;
34	int i1;
35	char cArray[120];
36	char lhs[80];
37	} mBEvent;
38
39	// types for mpiBASSEvent.type
40	#define mpiMOLECULE 0
41	#define mpiATOM 1
42	#define mpiBOND 2
43	#define mpiBEND 3
44	#define mpiTORSION 4
45	#define mpiCOMPONENT 5
46	#define mpiPOSITION 6
47	#define mpiASSIGNMENT_i 7
48	#define mpiASSIGNMENT_d 8
49	#define mpiASSIGNMENT_s 9
50	#define mpiMEMBERS 10
51	#define mpiCONSTRAINT 11
52	#define mpiORIENTATION 12
53	#define mpiBLOCK_END 13
54	#define mpiZCONSTRAINT 14
55	#define mpiRIGIDBODY 15
56	#define mpiCUTOFFGROUP 16
57	#define mpiMEMBER 17
58
59
60	// Define the mpi datatype
61	#ifdef __mpiBASSEVENT
62	MPI_Datatype mpiBASSEventType;
63	#endif
64
65	#endif