| 6 |
|
/** This header provides dual access for the simulation structure between |
| 7 |
|
fortran and C for the simtype structure. NOTE: Sequence of struct |
| 8 |
|
components must match between C and fortran and in general be packed |
| 9 |
< |
double,int,char. |
| 9 |
> |
RealType,int,char. |
| 10 |
|
*/ |
| 11 |
|
typedef struct{ |
| 12 |
< |
double dielect; |
| 12 |
> |
RealType dielect; |
| 13 |
|
int SIM_uses_PBC; |
| 14 |
|
int SIM_uses_DirectionalAtoms; |
| 15 |
|
int SIM_uses_LennardJones; |
| 24 |
|
int SIM_uses_FLARB; |
| 25 |
|
int SIM_uses_RF; |
| 26 |
|
int SIM_uses_SF; |
| 27 |
+ |
int SIM_uses_SP; |
| 28 |
+ |
int SIM_uses_SC; |
| 29 |
+ |
int SIM_uses_MEAM; |
| 30 |
+ |
int SIM_uses_BoxDipole; |
| 31 |
|
} simtype; |
| 32 |
|
#endif /*__FSIMULATION*/ |
| 33 |
|
#endif /*__C*/ |
| 54 |
|
logical :: SIM_uses_FLARB |
| 55 |
|
logical :: SIM_uses_RF |
| 56 |
|
logical :: SIM_uses_SF |
| 57 |
+ |
logical :: SIM_uses_SP |
| 58 |
+ |
logical :: SIM_uses_SC |
| 59 |
+ |
logical :: SIM_uses_MEAM |
| 60 |
+ |
logical :: SIM_uses_BoxDipole |
| 61 |
|
end type simtype |
| 62 |
|
|
| 63 |
|
#endif |
