7 |
|
|
8 |
|
void wrapforcefield_( void (*wrapFunction)( void (*p1) makeAtypeList, |
9 |
|
void (*p2) initFortranFFList, |
10 |
< |
void (*p3) doForceLoopList )); |
10 |
> |
void (*p3) doForceLoopList, |
11 |
> |
void (*p4) set_sticky_params_List, |
12 |
> |
void (*p5) set_gb_pair_params_List, |
13 |
> |
void (*p6) newEAMtype_List) |
14 |
> |
); |
15 |
|
|
16 |
|
void wrapsimmod_ ( void (*wrapFunction)( void (*p1) setFortranSimList, |
17 |
< |
void (*p2) setFortranBoxList) ); |
17 |
> |
void (*p2) setFortranBoxList, |
18 |
> |
void (*p3) notifyFortranCutOffList) ); |
19 |
|
|
20 |
|
#ifdef IS_MPI |
21 |
|
void wrapsimparallelmod_( void (*wrapFunction)(void (*p1) setFortranMPIlist ) ); |
25 |
|
|
26 |
|
|
27 |
|
void wrapFF( void (*p1) makeAtypeList, void (*p2) initFortranFFList, |
28 |
< |
void (*p3) doForceLoopList ); |
28 |
> |
void (*p3) doForceLoopList, void (*p4) set_sticky_params_List, |
29 |
> |
void (*p5) set_gb_pair_params_List, void (*p6) newEAMtype_List); |
30 |
|
void (*makeAtype) makeAtypeList; |
31 |
|
void (*initFortranFF) initFortranFFList; |
32 |
+ |
void (*set_sticky_params) set_sticky_params_List; |
33 |
+ |
void (*set_gb_pair_params) set_gb_pair_params_List; |
34 |
+ |
void (*newEAMtype) newEAMtype_List; |
35 |
|
|
36 |
< |
void wrapSimInfo( void (*p1) setFortranSimList, void (*p2) setFortranBoxList ); |
36 |
> |
void wrapSimInfo( void (*p1) setFortranSimList, void (*p2) setFortranBoxList, |
37 |
> |
void (*p3) notifyFortranCutOffList ); |
38 |
|
|
39 |
|
#ifdef IS_MPI |
40 |
|
void wrapSimParallel(void (*p1) setFortranMPIlist ); |
52 |
|
|
53 |
|
|
54 |
|
void wrapFF( void (*p1) makeAtypeList, void (*p2) initFortranFFList, |
55 |
< |
void (*p3) doForceLoopList ){ |
55 |
> |
void (*p3) doForceLoopList, void (*p4) set_sticky_params_List, |
56 |
> |
void (*p5) set_gb_pair_params_List, void (*p6) newEAMtype_List){ |
57 |
|
|
58 |
|
makeAtype = p1; |
59 |
|
initFortranFF = p2; |
60 |
|
currentFF->setFortranForceLoop( p3 ); |
61 |
+ |
set_sticky_params = p4; |
62 |
+ |
set_gb_pair_params = p5; |
63 |
+ |
newEAMtype = p6; |
64 |
+ |
|
65 |
|
} |
66 |
|
|
67 |
|
|
74 |
|
wrapsimmod_( wrapSimInfo ); |
75 |
|
} |
76 |
|
|
77 |
< |
void wrapSimInfo( void (*p1) setFortranSimList, void (*p2) setFortranBoxList ){ |
77 |
> |
void wrapSimInfo( void (*p1) setFortranSimList, void (*p2) setFortranBoxList, |
78 |
> |
void (*p3) notifyFortranCutOffList){ |
79 |
|
|
80 |
< |
currentPlug->setInternal( p1, p2 ); |
80 |
> |
currentPlug->setInternal( p1, p2, p3 ); |
81 |
|
} |
82 |
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|
83 |
|
|