| 8 |
|
void wrapforcefield_( void (*wrapFunction)( void (*p1) makeAtypeList, |
| 9 |
|
void (*p2) initFortranFFList, |
| 10 |
|
void (*p3) doForceLoopList, |
| 11 |
< |
void (*p4) LJ_new_rcut_List, |
| 12 |
< |
void (*p5) set_sticky_params_List, |
| 13 |
< |
void (*p6) set_gb_pair_params_List ) |
| 11 |
> |
void (*p4) set_sticky_params_List, |
| 12 |
> |
void (*p5) set_gb_pair_params_List ) |
| 13 |
|
); |
| 14 |
|
|
| 15 |
|
void wrapsimmod_ ( void (*wrapFunction)( void (*p1) setFortranSimList, |
| 16 |
< |
void (*p2) setFortranBoxList) ); |
| 16 |
> |
void (*p2) setFortranBoxList, |
| 17 |
> |
void (*p3) notifyFortranCutOffList) ); |
| 18 |
|
|
| 19 |
|
#ifdef IS_MPI |
| 20 |
|
void wrapsimparallelmod_( void (*wrapFunction)(void (*p1) setFortranMPIlist ) ); |
| 24 |
|
|
| 25 |
|
|
| 26 |
|
void wrapFF( void (*p1) makeAtypeList, void (*p2) initFortranFFList, |
| 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 ); |
| 27 |
> |
void (*p3) doForceLoopList, void (*p4) set_sticky_params_List, |
| 28 |
> |
void (*p5) set_gb_pair_params_List ); |
| 29 |
|
void (*makeAtype) makeAtypeList; |
| 30 |
|
void (*initFortranFF) initFortranFFList; |
| 32 |
– |
void (*LJ_new_rcut) LJ_new_rcut_List; |
| 31 |
|
void (*set_sticky_params) set_sticky_params_List; |
| 32 |
|
void (*set_gb_pair_params) set_gb_pair_params_List; |
| 33 |
|
|
| 34 |
< |
void wrapSimInfo( void (*p1) setFortranSimList, void (*p2) setFortranBoxList ); |
| 34 |
> |
void wrapSimInfo( void (*p1) setFortranSimList, void (*p2) setFortranBoxList, |
| 35 |
> |
void (*p3) notifyFortranCutOffList ); |
| 36 |
|
|
| 37 |
|
#ifdef IS_MPI |
| 38 |
|
void wrapSimParallel(void (*p1) setFortranMPIlist ); |
| 50 |
|
|
| 51 |
|
|
| 52 |
|
void wrapFF( void (*p1) makeAtypeList, void (*p2) initFortranFFList, |
| 53 |
< |
void (*p3) doForceLoopList, void (*p4) LJ_new_rcut_List, |
| 54 |
< |
void (*p5) set_sticky_params_List, |
| 56 |
< |
void (*p6) set_gb_pair_params_List ){ |
| 53 |
> |
void (*p3) doForceLoopList, void (*p4) set_sticky_params_List, |
| 54 |
> |
void (*p5) set_gb_pair_params_List ){ |
| 55 |
|
|
| 56 |
|
makeAtype = p1; |
| 57 |
|
initFortranFF = p2; |
| 58 |
|
currentFF->setFortranForceLoop( p3 ); |
| 59 |
< |
LJ_new_rcut = p4; |
| 60 |
< |
set_sticky_params = p5; |
| 63 |
< |
set_gb_pair_params = p6; |
| 59 |
> |
set_sticky_params = p4; |
| 60 |
> |
set_gb_pair_params = p5; |
| 61 |
|
|
| 62 |
|
} |
| 63 |
|
|
| 71 |
|
wrapsimmod_( wrapSimInfo ); |
| 72 |
|
} |
| 73 |
|
|
| 74 |
< |
void wrapSimInfo( void (*p1) setFortranSimList, void (*p2) setFortranBoxList ){ |
| 74 |
> |
void wrapSimInfo( void (*p1) setFortranSimList, void (*p2) setFortranBoxList, |
| 75 |
> |
void (*p3) notifyFortranCutOffList){ |
| 76 |
|
|
| 77 |
< |
currentPlug->setInternal( p1, p2 ); |
| 77 |
> |
currentPlug->setInternal( p1, p2, p3 ); |
| 78 |
|
} |
| 79 |
|
|
| 80 |
|
|