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_SC; |
28 |
+ |
int SIM_uses_MEAM; |
29 |
|
} simtype; |
30 |
|
#endif /*__FSIMULATION*/ |
31 |
|
#endif /*__C*/ |
52 |
|
logical :: SIM_uses_FLARB |
53 |
|
logical :: SIM_uses_RF |
54 |
|
logical :: SIM_uses_SF |
55 |
+ |
logical :: SIM_uses_SC |
56 |
+ |
logical :: SIM_uses_MEAM |
57 |
|
end type simtype |
58 |
|
|
59 |
|
#endif |