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root/group/trunk/OOPSE/libmdtools/fortranWrappers.cpp
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Comparing:
branches/mmeineke/OOPSE/libmdtools/fortranWrappers.cpp (file contents), Revision 377 by mmeineke, Fri Mar 21 17:42:12 2003 UTC vs.
trunk/OOPSE/libmdtools/fortranWrappers.cpp (file contents), Revision 747 by gezelter, Fri Sep 5 21:28:52 2003 UTC

# Line 1 | Line 1
1   #define __C
2 +
3 + #include "config.h"
4   #include "fSimulation.h"
5   #include <fortranWrappers.hpp>
6  
5 –
7   extern "C" {
8  
9 <  void wrapforcefield_( void (*wrapFunction)( void (*p1) makeAtypeList,
10 <                                              void (*p2) initFortranFFList,
11 <                                              void (*p3) doForceLoopList ));
9 >  void F90_FUNC(wrapforcefield, WRAPFORCEFIELD) (void (*wrapFunction)(void (*p1) makeAtypeList,
10 >                                                                      void (*p2) initFortranFFList,
11 >                                                                      void (*p3) doForceLoopList,
12 >                                                                      void (*p4) set_sticky_params_List,
13 >                                                                      void (*p5) set_gb_pair_params_List,
14 >                                                                      void (*p6) newEAMtype_List)
15 >                                  );
16    
17 <  void wrapsimmod_ ( void (*wrapFunction)( void (*p1) setFortranSimList,
18 <                                           void (*p2) setFortranBoxList) );
17 >  void F90_FUNC(wrapsimmod, WRAPSIMMOD) (void (*wrapFunction)(void (*p1) setFortranSimList,
18 >                                                              void (*p2) setFortranBoxList,
19 >                                                              void (*p3) notifyFortranCutOffList)
20 >                             );
21  
22   #ifdef IS_MPI
23 <  void wrapsimparallelmod_( void (*wrapFunction)(void (*p1) setFortranMPIlist ) );
23 >  void F90_FUNC(wrapsimparallelmod, WRAPSIMPARALLELMOD) (void (*wrapFunction)(void (*p1) setFortranMPIlist) );
24   #endif // is_mpi
25 <
25 >  
26   }
27  
28  
29   void wrapFF( void (*p1) makeAtypeList, void (*p2) initFortranFFList,
30 <             void (*p3) doForceLoopList );
30 >             void (*p3) doForceLoopList, void (*p4) set_sticky_params_List,
31 >             void (*p5) set_gb_pair_params_List, void (*p6) newEAMtype_List);
32   void (*makeAtype) makeAtypeList;
33   void (*initFortranFF) initFortranFFList;
34 + void (*set_sticky_params) set_sticky_params_List;
35 + void (*set_gb_pair_params) set_gb_pair_params_List;
36 + void (*newEAMtype) newEAMtype_List;
37  
38 < void wrapSimInfo( void (*p1) setFortranSimList, void (*p2) setFortranBoxList );
38 > void wrapSimInfo( void (*p1) setFortranSimList, void (*p2) setFortranBoxList,
39 >                  void (*p3) notifyFortranCutOffList );
40  
41   #ifdef IS_MPI
42   void wrapSimParallel(void (*p1) setFortranMPIlist );
# Line 37 | Line 49 | void wrapMeFF( ForceFields* thisFF ){
49   void wrapMeFF( ForceFields* thisFF ){
50    
51    currentFF = thisFF;
52 <  wrapforcefield_( wrapFF );
52 >  F90_FUNC(wrapforcefield, WRAPFORCEFIELD)( wrapFF );
53   }
42 –  
54  
55 +
56   void wrapFF( void (*p1) makeAtypeList, void (*p2) initFortranFFList,
57 <             void (*p3) doForceLoopList ){
57 >             void (*p3) doForceLoopList, void (*p4) set_sticky_params_List,
58 >             void (*p5) set_gb_pair_params_List, void (*p6) newEAMtype_List){
59    
60    makeAtype = p1;
61    initFortranFF = p2;
62    currentFF->setFortranForceLoop( p3 );
63 +  set_sticky_params = p4;
64 +  set_gb_pair_params = p5;
65 +  newEAMtype = p6;
66 +  
67   }
68  
69  
# Line 56 | Line 73 | void wrapMeSimInfo( SimInfo* thePlug ){
73   void wrapMeSimInfo( SimInfo* thePlug ){
74    
75    currentPlug = thePlug;
76 <  wrapsimmod_( wrapSimInfo );
76 >  F90_FUNC(wrapsimmod, WRAPSIMMOD) ( wrapSimInfo );
77   }
78  
79 < void wrapSimInfo( void (*p1) setFortranSimList, void (*p2) setFortranBoxList ){
79 > void wrapSimInfo( void (*p1) setFortranSimList, void (*p2) setFortranBoxList,
80 >                  void (*p3) notifyFortranCutOffList){
81    
82 <  currentPlug->setInternal( p1, p2 );
82 >  currentPlug->setInternal( p1, p2, p3 );
83   }
66 –  
84  
85 +
86   #ifdef IS_MPI
87  
88   // wrap the mpiSim functions
# Line 73 | Line 91 | void wrapMeSimParallel( mpiSimulation* thisMPIsim ){
91   void wrapMeSimParallel( mpiSimulation* thisMPIsim ){
92    
93    currentMPIsim = thisMPIsim;
94 <  wrapsimparallelmod_( wrapSimParallel );
94 >  F90_FUNC(wrapsimparallelmod, WRAPSIMPARALLELMOD) ( wrapSimParallel );
95   }
96  
97   void wrapSimParallel(void (*p1) setFortranMPIlist ){

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