17 |
|
int SIM_uses_Charges; |
18 |
|
int SIM_uses_Dipoles; |
19 |
|
int SIM_uses_Sticky; |
20 |
+ |
int SIM_uses_StickyPower; |
21 |
|
int SIM_uses_GayBerne; |
22 |
|
int SIM_uses_EAM; |
23 |
|
int SIM_uses_Shapes; |
24 |
|
int SIM_uses_FLARB; |
25 |
|
int SIM_uses_RF; |
26 |
+ |
int SIM_uses_SF; |
27 |
+ |
int SIM_uses_SuttonChen; |
28 |
+ |
int SIM_uses_MEAM; |
29 |
|
} simtype; |
30 |
< |
#endif //__FSIMULATION |
31 |
< |
#endif //__C |
30 |
> |
#endif /*__FSIMULATION*/ |
31 |
> |
#endif /*__C*/ |
32 |
|
|
33 |
|
#ifdef __FORTRAN90 |
34 |
|
|
35 |
< |
type, public :: simtype |
36 |
< |
PRIVATE |
37 |
< |
SEQUENCE |
38 |
< |
!! Dielectric Constant for reaction field |
39 |
< |
real ( kind = dp ) :: dielect = 0.0_dp |
40 |
< |
!! Periodic Boundry Conditions |
41 |
< |
logical :: SIM_uses_PBC |
42 |
< |
logical :: SIM_uses_DirectionalAtoms |
43 |
< |
logical :: SIM_uses_LennardJones |
44 |
< |
logical :: SIM_uses_Electrostatics |
45 |
< |
logical :: SIM_uses_Charges |
46 |
< |
logical :: SIM_uses_Dipoles |
47 |
< |
logical :: SIM_uses_Sticky |
48 |
< |
logical :: SIM_uses_GayBerne |
49 |
< |
logical :: SIM_uses_EAM |
50 |
< |
logical :: SIM_uses_Shapes |
51 |
< |
logical :: SIM_uses_FLARB |
52 |
< |
logical :: SIM_uses_RF |
53 |
< |
end type simtype |
54 |
< |
#endif |
35 |
> |
type, public :: simtype |
36 |
> |
PRIVATE |
37 |
> |
SEQUENCE |
38 |
> |
!! Dielectric Constant for reaction field |
39 |
> |
real ( kind = dp ) :: dielect = 0.0_dp |
40 |
> |
!! Periodic Boundry Conditions |
41 |
> |
logical :: SIM_uses_PBC |
42 |
> |
logical :: SIM_uses_DirectionalAtoms |
43 |
> |
logical :: SIM_uses_LennardJones |
44 |
> |
logical :: SIM_uses_Electrostatics |
45 |
> |
logical :: SIM_uses_Charges |
46 |
> |
logical :: SIM_uses_Dipoles |
47 |
> |
logical :: SIM_uses_Sticky |
48 |
> |
logical :: SIM_uses_StickyPower |
49 |
> |
logical :: SIM_uses_GayBerne |
50 |
> |
logical :: SIM_uses_EAM |
51 |
> |
logical :: SIM_uses_Shapes |
52 |
> |
logical :: SIM_uses_FLARB |
53 |
> |
logical :: SIM_uses_RF |
54 |
> |
logical :: SIM_uses_SF |
55 |
> |
logical :: SIM_uses_SuttonChen |
56 |
> |
logical :: SIM_uses_MEAM; |
57 |
> |
end type simtype |
58 |
|
|
59 |
+ |
#endif |
60 |
+ |
|