16 |
|
int is_SplitDipole; |
17 |
|
int is_Quadrupole; |
18 |
|
int is_Sticky; |
19 |
+ |
int is_StickyPower; |
20 |
|
int is_GayBerne; |
21 |
|
int is_EAM; |
22 |
|
int is_Shape; |
23 |
|
int is_FLARB; |
24 |
+ |
int is_SuttonChen; |
25 |
+ |
int is_MEAM; |
26 |
|
} AtomTypeProperties; |
27 |
|
#endif |
28 |
|
#endif |
39 |
|
integer :: is_SplitDipole |
40 |
|
integer :: is_Quadrupole |
41 |
|
integer :: is_Sticky |
42 |
+ |
integer :: is_StickyPower |
43 |
|
integer :: is_GayBerne |
44 |
|
integer :: is_EAM |
45 |
|
integer :: is_Shape |
46 |
|
integer :: is_FLARB |
47 |
+ |
integer :: is_SuttonChen |
48 |
+ |
integer :: is_MEAM |
49 |
|
end type AtomTypeProperties |
50 |
|
#endif |