12 |
|
#define SHAPE_PAIR 128 |
13 |
|
#define SHAPE_LJ 256 |
14 |
|
#define FLARB_PAIR 512 |
15 |
+ |
#define SUTTONCHEN_PAIR 1024 |
16 |
+ |
#define MEAM_PAIR 2048 |
17 |
|
|
18 |
|
#define LR_POT_TYPES 4 |
19 |
|
|
38 |
|
INTEGER, PARAMETER:: SHAPE_PAIR = 128 |
39 |
|
INTEGER, PARAMETER:: SHAPE_LJ = 256 |
40 |
|
INTEGER, PARAMETER:: FLARB_PAIR = 512 |
41 |
+ |
INTEGER ,PARAMETER:: SUTTONCHEN_PAIR = 1024 |
42 |
+ |
INTEGER ,PARAMETER:: MEAM_PAIR = 2048 |
43 |
+ |
|
44 |
|
|
45 |
+ |
|
46 |
|
INTEGER, PARAMETER:: LR_POT_TYPES = 4 |
47 |
|
!! remember fortran is shifted up by one for arrays |
48 |
|
INTEGER, PARAMETER:: VDW_POT = 1 |