13 |
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#define SHAPE_LJ 256 |
14 |
|
#define FLARB_PAIR 512 |
15 |
|
|
16 |
+ |
#define POT_ARRAY_SIZE 11 |
17 |
+ |
|
18 |
+ |
#define LJ_POT 1 |
19 |
+ |
#define ELECTROSTATIC_POT 2 |
20 |
+ |
#define STICKY_POT 3 |
21 |
+ |
#define STICKYPOWER_POT 4 |
22 |
+ |
#define GB_POT 5 |
23 |
+ |
#define GB_LJ_POT 6 |
24 |
+ |
#define EAM_POT 7 |
25 |
+ |
#define SHAPE_POT 8 |
26 |
+ |
#define SHAPE_LJ_POT 9 |
27 |
+ |
#define FLARB_POT 10 |
28 |
+ |
#define RF_POT 11 |
29 |
+ |
|
30 |
|
#endif |
31 |
< |
#endif //__C |
31 |
> |
#endif /*__C*/ |
32 |
|
|
33 |
|
#ifdef __FORTRAN90 |
34 |
|
|
43 |
|
INTEGER, PARAMETER:: SHAPE_LJ = 256 |
44 |
|
INTEGER, PARAMETER:: FLARB_PAIR = 512 |
45 |
|
|
46 |
+ |
INTEGER, PARAMETER:: POT_ARRAY_SIZE = 10 |
47 |
+ |
|
48 |
+ |
INTEGER, PARAMETER:: LJ_POT = 1 |
49 |
+ |
INTEGER, PARAMETER:: ELECTROSTATIC_POT = 2 |
50 |
+ |
INTEGER, PARAMETER:: STICKY_POT = 3 |
51 |
+ |
INTEGER, PARAMETER:: STICKYPOWER_POT = 4 |
52 |
+ |
INTEGER, PARAMETER:: GAYBERNE_POT = 5 |
53 |
+ |
INTEGER, PARAMETER:: GAYBERNE_LJ_POT = 6 |
54 |
+ |
INTEGER, PARAMETER:: EAM_POT = 7 |
55 |
+ |
INTEGER, PARAMETER:: SHAPE_POT = 8 |
56 |
+ |
INTEGER, PARAMETER:: SHAPE_LJ_POT = 9 |
57 |
+ |
INTEGER, PARAMETER:: FLARB_POT = 10 |
58 |
+ |
INTEGER, PARAMETER:: RF_POT = 11 |
59 |
+ |
|
60 |
+ |
|
61 |
+ |
|
62 |
|
#endif |