7 |
|
|
8 |
|
void wrapforcefield_( void (*wrapFunction)( void (*p1) makeAtypeList, |
9 |
|
void (*p2) initFortranFFList, |
10 |
< |
void (*p3) doForceLoopList )); |
10 |
> |
void (*p3) doForceLoopList, |
11 |
> |
void (*p4) LJ_new_rcut_List, |
12 |
> |
void (*p5) set_sticky_params_List, |
13 |
> |
void (*p6) set_gp_pair_params_List ) |
14 |
> |
); |
15 |
|
|
16 |
|
void wrapsimmod_ ( void (*wrapFunction)( void (*p1) setFortranSimList, |
17 |
|
void (*p2) setFortranBoxList) ); |
24 |
|
|
25 |
|
|
26 |
|
void wrapFF( void (*p1) makeAtypeList, void (*p2) initFortranFFList, |
27 |
< |
void (*p3) doForceLoopList ); |
27 |
> |
void (*p3) doForceLoopList, void (*p4) LJ_new_rcut_List, |
28 |
> |
void (*p5) set_sticky_params_List, |
29 |
> |
void (*p6) set_gb_pair_params_List ); |
30 |
|
void (*makeAtype) makeAtypeList; |
31 |
|
void (*initFortranFF) initFortranFFList; |
32 |
+ |
void (*LJ_new_rcut) LJ_new_rcut_List; |
33 |
+ |
void (*set_sticky_params) set_sticky_params_List; |
34 |
+ |
void (*set_gb_pair_params) set_gb_pair_params_List; |
35 |
|
|
36 |
|
void wrapSimInfo( void (*p1) setFortranSimList, void (*p2) setFortranBoxList ); |
37 |
|
|
51 |
|
|
52 |
|
|
53 |
|
void wrapFF( void (*p1) makeAtypeList, void (*p2) initFortranFFList, |
54 |
< |
void (*p3) doForceLoopList ){ |
54 |
> |
void (*p3) doForceLoopList, void (*p4) LJ_new_rcut_List, |
55 |
> |
void (*p5) set_sticky_params_List, |
56 |
> |
void (*p6) set_gb_pair_params_List ){ |
57 |
|
|
58 |
|
makeAtype = p1; |
59 |
|
initFortranFF = p2; |
60 |
|
currentFF->setFortranForceLoop( p3 ); |
61 |
+ |
LJ_new_rcut = p4; |
62 |
+ |
set_sticky_params = p5; |
63 |
+ |
set_gb_pair_params = p6; |
64 |
+ |
|
65 |
|
} |
66 |
|
|
67 |
|
|