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root/group/trunk/OOPSE/libmdtools/fortranWrappers.cpp
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Comparing trunk/OOPSE/libmdtools/fortranWrappers.cpp (file contents):
Revision 378 by mmeineke, Fri Mar 21 17:42:12 2003 UTC vs.
Revision 829 by gezelter, Tue Oct 28 16:03:37 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  
6 – extern "C" {
8  
9 <  void wrapforcefield_( void (*wrapFunction)( void (*p1) makeAtypeList,
10 <                                              void (*p2) initFortranFFList,
11 <                                              void (*p3) doForceLoopList ));
9 > extern 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 > extern 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 > extern void F90_FUNC(wrapsimparallelmod, WRAPSIMPARALLELMOD) (void (*wrapFunction)(void (*p1) setFortranMPIlist) );
24   #endif // is_mpi
25  
19 – }
20 –
21 –
26   void wrapFF( void (*p1) makeAtypeList, void (*p2) initFortranFFList,
27 <             void (*p3) doForceLoopList );
27 >             void (*p3) doForceLoopList, void (*p4) set_sticky_params_List,
28 >             void (*p5) set_gb_pair_params_List, void (*p6) newEAMtype_List);
29   void (*makeAtype) makeAtypeList;
30   void (*initFortranFF) initFortranFFList;
31 + void (*set_sticky_params) set_sticky_params_List;
32 + void (*set_gb_pair_params) set_gb_pair_params_List;
33 + void (*newEAMtype) newEAMtype_List;
34  
35 < void wrapSimInfo( void (*p1) setFortranSimList, void (*p2) setFortranBoxList );
35 > void wrapSimInfo( void (*p1) setFortranSimList, void (*p2) setFortranBoxList,
36 >                  void (*p3) notifyFortranCutOffList );
37  
38   #ifdef IS_MPI
39   void wrapSimParallel(void (*p1) setFortranMPIlist );
# Line 37 | Line 46 | void wrapMeFF( ForceFields* thisFF ){
46   void wrapMeFF( ForceFields* thisFF ){
47    
48    currentFF = thisFF;
49 <  wrapforcefield_( wrapFF );
49 >  F90_FUNC(wrapforcefield, WRAPFORCEFIELD)( wrapFF );
50   }
42 –  
51  
52 +
53   void wrapFF( void (*p1) makeAtypeList, void (*p2) initFortranFFList,
54 <             void (*p3) doForceLoopList ){
54 >             void (*p3) doForceLoopList, void (*p4) set_sticky_params_List,
55 >             void (*p5) set_gb_pair_params_List, void (*p6) newEAMtype_List){
56    
57    makeAtype = p1;
58    initFortranFF = p2;
59    currentFF->setFortranForceLoop( p3 );
60 +  set_sticky_params = p4;
61 +  set_gb_pair_params = p5;
62 +  newEAMtype = p6;
63 +  
64   }
65  
66  
# Line 56 | Line 70 | void wrapMeSimInfo( SimInfo* thePlug ){
70   void wrapMeSimInfo( SimInfo* thePlug ){
71    
72    currentPlug = thePlug;
73 <  wrapsimmod_( wrapSimInfo );
73 >  F90_FUNC(wrapsimmod, WRAPSIMMOD) ( wrapSimInfo );
74   }
75  
76 < void wrapSimInfo( void (*p1) setFortranSimList, void (*p2) setFortranBoxList ){
76 > void wrapSimInfo( void (*p1) setFortranSimList, void (*p2) setFortranBoxList,
77 >                  void (*p3) notifyFortranCutOffList){
78    
79 <  currentPlug->setInternal( p1, p2 );
79 >  currentPlug->setInternal( p1, p2, p3 );
80   }
66 –  
81  
82 +
83   #ifdef IS_MPI
84  
85   // wrap the mpiSim functions
# Line 73 | Line 88 | void wrapMeSimParallel( mpiSimulation* thisMPIsim ){
88   void wrapMeSimParallel( mpiSimulation* thisMPIsim ){
89    
90    currentMPIsim = thisMPIsim;
91 <  wrapsimparallelmod_( wrapSimParallel );
91 >  F90_FUNC(wrapsimparallelmod, WRAPSIMPARALLELMOD) ( wrapSimParallel );
92   }
93  
94   void wrapSimParallel(void (*p1) setFortranMPIlist ){
# Line 83 | Line 98 | void wrapSimParallel(void (*p1) setFortranMPIlist ){
98  
99  
100   #endif // is_mpi
101 +

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