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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 832 by gezelter, Tue Oct 28 17:04:06 2003 UTC

# Line 1 | Line 1
1   #define __C
2 +
3 + #include "config.h"
4   #include "fSimulation.h"
5 < #include <fortranWrappers.hpp>
5 > #include "fortranWrappers.hpp"
6  
7  
8   extern "C" {
9 <
10 <  void wrapforcefield_( void (*wrapFunction)( void (*p1) makeAtypeList,
11 <                                              void (*p2) initFortranFFList,
12 <                                              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) );
19 <
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  
19 – }
26  
21 –
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 > }
31 >
32 > /*
33   void (*makeAtype) makeAtypeList;
34   void (*initFortranFF) initFortranFFList;
35 + void (*set_sticky_params) set_sticky_params_List;
36 + void (*set_gb_pair_params) set_gb_pair_params_List;
37 + void (*newEAMtype) newEAMtype_List;
38 + */
39  
40 < void wrapSimInfo( void (*p1) setFortranSimList, void (*p2) setFortranBoxList );
40 > extern "C" {
41 > void wrapSimInfo( void (*p1) setFortranSimList, void (*p2) setFortranBoxList,
42 >                  void (*p3) notifyFortranCutOffList );
43  
44   #ifdef IS_MPI
45   void wrapSimParallel(void (*p1) setFortranMPIlist );
46   #endif // is_mpi
47 + }
48  
33 –
49   // take care of the ForceField functions
50  
51   ForceFields* currentFF;
52   void wrapMeFF( ForceFields* thisFF ){
53    
54    currentFF = thisFF;
55 <  wrapforcefield_( wrapFF );
55 >  F90_FUNC(wrapforcefield, WRAPFORCEFIELD)( wrapFF );
56   }
42 –  
57  
58 +
59   void wrapFF( void (*p1) makeAtypeList, void (*p2) initFortranFFList,
60 <             void (*p3) doForceLoopList ){
60 >             void (*p3) doForceLoopList, void (*p4) set_sticky_params_List,
61 >             void (*p5) set_gb_pair_params_List, void (*p6) newEAMtype_List){
62    
63    makeAtype = p1;
64    initFortranFF = p2;
65    currentFF->setFortranForceLoop( p3 );
66 +  set_sticky_params = p4;
67 +  set_gb_pair_params = p5;
68 +  newEAMtype = p6;
69 +  
70   }
71  
72  
# Line 56 | Line 76 | void wrapMeSimInfo( SimInfo* thePlug ){
76   void wrapMeSimInfo( SimInfo* thePlug ){
77    
78    currentPlug = thePlug;
79 <  wrapsimmod_( wrapSimInfo );
79 >  F90_FUNC(wrapsimmod, WRAPSIMMOD) ( wrapSimInfo );
80   }
81  
82 < void wrapSimInfo( void (*p1) setFortranSimList, void (*p2) setFortranBoxList ){
83 <  
84 <  currentPlug->setInternal( p1, p2 );
82 >
83 > extern "C" void wrapSimInfo( void (*p1) setFortranSimList, void (*p2) setFortranBoxList,
84 >                  void (*p3) notifyFortranCutOffList){
85 >
86 >  currentPlug->setInternal( p1, p2, p3 );
87   }
66 –  
88  
89 +
90   #ifdef IS_MPI
91  
92   // wrap the mpiSim functions
# Line 73 | Line 95 | void wrapMeSimParallel( mpiSimulation* thisMPIsim ){
95   void wrapMeSimParallel( mpiSimulation* thisMPIsim ){
96    
97    currentMPIsim = thisMPIsim;
98 <  wrapsimparallelmod_( wrapSimParallel );
98 >  F90_FUNC(wrapsimparallelmod, WRAPSIMPARALLELMOD) ( wrapSimParallel );
99   }
100  
101   void wrapSimParallel(void (*p1) setFortranMPIlist ){
# Line 83 | Line 105 | void wrapSimParallel(void (*p1) setFortranMPIlist ){
105  
106  
107   #endif // is_mpi
108 +

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