11 |
|
int ident; |
12 |
|
int is_Directional; |
13 |
|
int is_LennardJones; |
14 |
– |
int is_Electrostatic; |
14 |
|
int is_Charge; |
15 |
|
int is_Dipole; |
16 |
+ |
int is_Quadrupole; |
17 |
|
int is_Sticky; |
18 |
|
int is_GayBerne; |
19 |
|
int is_EAM; |
28 |
|
type :: AtomTypeProperties |
29 |
|
SEQUENCE |
30 |
|
integer :: ident |
31 |
< |
logical :: is_Directional |
32 |
< |
logical :: is_LennardJones |
33 |
< |
logical :: is_Electrostatic |
34 |
< |
logical :: is_Charge |
35 |
< |
logical :: is_Dipole |
36 |
< |
logical :: is_Sticky |
37 |
< |
logical :: is_GayBerne |
38 |
< |
logical :: is_EAM |
39 |
< |
logical :: is_Shape |
40 |
< |
logical :: is_FLARB |
31 |
> |
integer :: is_Directional |
32 |
> |
integer :: is_LennardJones |
33 |
> |
integer :: is_Charge |
34 |
> |
integer :: is_Dipole |
35 |
> |
integer :: is_Quadrupole |
36 |
> |
integer :: is_Sticky |
37 |
> |
integer :: is_GayBerne |
38 |
> |
integer :: is_EAM |
39 |
> |
integer :: is_Shape |
40 |
> |
integer :: is_FLARB |
41 |
|
end type AtomTypeProperties |
42 |
|
#endif |