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