UseTheForce/DarkSide/fInteractionMap.h

#ifdef __OPENMD_C
#ifndef __FINTERACTIONMAP
#define __FINTERACTIONMAP

#define LJ_PAIR              1
#define ELECTROSTATIC_PAIR   2
#define STICKY_PAIR          4
#define STICKYPOWER_PAIR     8
#define GB_PAIR             16
#define GB_LJ               32
#define EAM_PAIR            64
#define SHAPE_PAIR         128
#define SHAPE_LJ           256
#define FLARB_PAIR         512
#define SC_PAIR            1024
#define MNM_PAIR           2048

#define LR_POT_TYPES      4

#define VDW_POT           0
#define ELECTROSTATIC_POT 1
#define HB_POT            2
#define METALLIC_POT      3


#endif
#endif /*__OPENMD_C*/

#ifdef  __FORTRAN90

  INTEGER, PARAMETER:: LJ_PAIR            =   1
  INTEGER, PARAMETER:: ELECTROSTATIC_PAIR =   2
  INTEGER, PARAMETER:: STICKY_PAIR        =   4
  INTEGER, PARAMETER:: STICKYPOWER_PAIR   =   8
  INTEGER, PARAMETER:: GAYBERNE_PAIR      =  16
  INTEGER, PARAMETER:: GAYBERNE_LJ        =  32
  INTEGER, PARAMETER:: EAM_PAIR           =  64
  INTEGER, PARAMETER:: SHAPE_PAIR         = 128
  INTEGER, PARAMETER:: SHAPE_LJ           = 256
  INTEGER, PARAMETER:: FLARB_PAIR         = 512
  INTEGER ,PARAMETER:: SC_PAIR            = 1024
  INTEGER ,PARAMETER:: MNM_PAIR           = 2048
 

  INTEGER, PARAMETER:: LR_POT_TYPES      =   4
  !! remember fortran is shifted up by one for arrays
  INTEGER, PARAMETER:: VDW_POT           =   1
  INTEGER, PARAMETER:: ELECTROSTATIC_POT =   2
  INTEGER, PARAMETER:: HB_POT            =   3
  INTEGER, PARAMETER:: METALLIC_POT      =   4

#endif
Revision:	1390
Committed:	Wed Nov 25 20:02:06 2009 UTC (15 years, 5 months ago) by gezelter
Content type:	text/plain
Original Path:	*trunk/src/UseTheForce/DarkSide/fInteractionMap.h*
File size:	1519 byte(s)
Log Message:	Almost all of the changes necessary to create OpenMD out of our old project (OOPSE-4)
#	User	Rev	Content
1	gezelter	1390	#ifdef __OPENMD_C
2	gezelter	560	#ifndef __FINTERACTIONMAP
3			#define __FINTERACTIONMAP
4
5			#define LJ_PAIR 1
6			#define ELECTROSTATIC_PAIR 2
7			#define STICKY_PAIR 4
8			#define STICKYPOWER_PAIR 8
9			#define GB_PAIR 16
10			#define GB_LJ 32
11			#define EAM_PAIR 64
12			#define SHAPE_PAIR 128
13			#define SHAPE_LJ 256
14			#define FLARB_PAIR 512
15	chuckv	733	#define SC_PAIR 1024
16	chuckv	1162	#define MNM_PAIR 2048
17	gezelter	560
18	gezelter	662	#define LR_POT_TYPES 4
19	chuckv	656
20	tim	688	#define VDW_POT 0
21			#define ELECTROSTATIC_POT 1
22			#define HB_POT 2
23			#define METALLIC_POT 3
24	chuckv	656
25	gezelter	662
26	gezelter	560	#endif
27	gezelter	1390	#endif /__OPENMD_C/
28	gezelter	560
29			#ifdef __FORTRAN90
30
31			INTEGER, PARAMETER:: LJ_PAIR = 1
32			INTEGER, PARAMETER:: ELECTROSTATIC_PAIR = 2
33			INTEGER, PARAMETER:: STICKY_PAIR = 4
34			INTEGER, PARAMETER:: STICKYPOWER_PAIR = 8
35			INTEGER, PARAMETER:: GAYBERNE_PAIR = 16
36			INTEGER, PARAMETER:: GAYBERNE_LJ = 32
37			INTEGER, PARAMETER:: EAM_PAIR = 64
38			INTEGER, PARAMETER:: SHAPE_PAIR = 128
39			INTEGER, PARAMETER:: SHAPE_LJ = 256
40			INTEGER, PARAMETER:: FLARB_PAIR = 512
41	chuckv	733	INTEGER ,PARAMETER:: SC_PAIR = 1024
42	chuckv	1162	INTEGER ,PARAMETER:: MNM_PAIR = 2048
43	chuckv	702
44	gezelter	560
45	chuckv	702
46	gezelter	662	INTEGER, PARAMETER:: LR_POT_TYPES = 4
47	tim	688	!! remember fortran is shifted up by one for arrays
48	gezelter	662	INTEGER, PARAMETER:: VDW_POT = 1
49	chuckv	656	INTEGER, PARAMETER:: ELECTROSTATIC_POT = 2
50	gezelter	662	INTEGER, PARAMETER:: HB_POT = 3
51			INTEGER, PARAMETER:: METALLIC_POT = 4
52	chuckv	656
53	gezelter	560	#endif