UseTheForce/DarkSide/fInteractionMap.h

#ifdef __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 SUTTONCHEN_PAIR    1024
#define MEAM_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 /*__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:: SUTTONCHEN_PAIR    = 1024
  INTEGER ,PARAMETER:: MEAM_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:	702
Committed:	Tue Nov 1 18:29:57 2005 UTC (20 years ago) by chuckv
Content type:	text/plain
File size:	1505 byte(s)
Log Message:	In process of adding sutton-chen forcefield.
#	User	Rev	Content
1	gezelter	560	#ifdef __C
2			#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	702	#define SUTTONCHEN_PAIR 1024
16			#define MEAM_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	tim	564	#endif /__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	702	INTEGER ,PARAMETER:: SUTTONCHEN_PAIR = 1024
42			INTEGER ,PARAMETER:: MEAM_PAIR = 2048
43
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