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_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; |
27 |
|
|
28 |
|
#ifdef __FORTRAN90 |
29 |
|
|
30 |
< |
type :: AtomTypeProperties |
31 |
< |
SEQUENCE |
32 |
< |
integer :: ident |
33 |
< |
logical :: is_Directional |
34 |
< |
logical :: is_LennardJones |
35 |
< |
logical :: is_Electrostatic |
36 |
< |
logical :: is_Charge |
37 |
< |
logical :: is_Dipole |
38 |
< |
logical :: is_Sticky |
39 |
< |
logical :: is_GayBerne |
40 |
< |
logical :: is_EAM |
41 |
< |
logical :: is_Shape |
42 |
< |
logical :: is_FLARB |
43 |
< |
end type AtomTypeProperties |
30 |
> |
type :: AtomTypeProperties |
31 |
> |
SEQUENCE |
32 |
> |
integer :: ident |
33 |
> |
integer :: is_Directional |
34 |
> |
integer :: is_LennardJones |
35 |
> |
integer :: is_Charge |
36 |
> |
integer :: is_Dipole |
37 |
> |
integer :: is_SplitDipole |
38 |
> |
integer :: is_Quadrupole |
39 |
> |
integer :: is_Sticky |
40 |
> |
integer :: is_StickyPower |
41 |
> |
integer :: is_GayBerne |
42 |
> |
integer :: is_EAM |
43 |
> |
integer :: is_Shape |
44 |
> |
integer :: is_FLARB |
45 |
> |
end type AtomTypeProperties |
46 |
|
#endif |