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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 790 by mmeineke, Mon Sep 29 21:16:11 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 + //extern "C"{
8  
9 < extern "C" {
10 <
11 <  void wrapforcefield_( void (*wrapFunction)( void (*p1) makeAtypeList,
12 <                                              void (*p2) initFortranFFList,
13 <                                              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 + //}
26  
19 – }
20 –
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   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 );
# Line 37 | Line 47 | void wrapMeFF( ForceFields* thisFF ){
47   void wrapMeFF( ForceFields* thisFF ){
48    
49    currentFF = thisFF;
50 <  wrapforcefield_( wrapFF );
50 >  F90_FUNC(wrapforcefield, WRAPFORCEFIELD)( wrapFF );
51   }
42 –  
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  
# Line 56 | Line 71 | void wrapMeSimInfo( SimInfo* thePlug ){
71   void wrapMeSimInfo( SimInfo* thePlug ){
72    
73    currentPlug = thePlug;
74 <  wrapsimmod_( wrapSimInfo );
74 >  F90_FUNC(wrapsimmod, 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   }
66 –  
82  
83 +
84   #ifdef IS_MPI
85  
86   // wrap the mpiSim functions
# Line 73 | Line 89 | void wrapMeSimParallel( mpiSimulation* thisMPIsim ){
89   void wrapMeSimParallel( mpiSimulation* thisMPIsim ){
90    
91    currentMPIsim = thisMPIsim;
92 <  wrapsimparallelmod_( wrapSimParallel );
92 >  F90_FUNC(wrapsimparallelmod, WRAPSIMPARALLELMOD) ( wrapSimParallel );
93   }
94  
95   void wrapSimParallel(void (*p1) setFortranMPIlist ){
# Line 83 | Line 99 | void wrapSimParallel(void (*p1) setFortranMPIlist ){
99  
100  
101   #endif // is_mpi
102 +

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