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#include "fSimulation.h" |
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#include "fortranWrappers.hpp" |
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extern "C"{ |
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// declare the actual instances of the function pointers |
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void F90_FUNC(wrapforcefield, WRAPFORCEFIELD) (void (*wrapFunction)(void (*p1) makeAtypeList, |
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void (*p2) initFortranFFList, |
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void (*p3) doForceLoopList, |
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void (*p4) set_sticky_params_List, |
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void (*p5) set_gb_pair_params_List, |
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void (*p6) newEAMtype_List) |
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); |
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makeAtype_TD makeAtype; |
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initFortranFF_TD initFortranFF; |
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set_sticky_params_TD set_sticky_params; |
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set_gb_pair_params_TD set_gb_pair_params; |
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newEAMtype_TD newEAMtype; |
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// declare the functions on the fortran side |
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extern "C" { |
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void F90_FUNC(wrapsimmod, WRAPSIMMOD) (void (*wrapFunction)(void (*p1) setFortranSimList, |
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void (*p2) setFortranBoxList, |
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void (*p3) notifyFortranCutOffList) |
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); |
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typedef void (*ffWrapFunction_TD)( makeAtype_TD p1, |
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initFortranFF_TD p2, |
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doForceLoop_TD p3, |
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set_sticky_params_TD p4, |
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set_gb_pair_params_TD p5, |
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newEAMtype_TD p6 ); |
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void F90_FUNC(wrapforcefield, WRAPFORCEFIELD)( ffWrapFunction_TD myWF ); |
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typedef void (*smWrapFunction_TD)( setFortranSim_TD p1, |
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setFortranBox_TD p2, |
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notifyFortranCutOff_TD p3 ); |
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void F90_FUNC(wrapsimmod, WRAPSIMMOD) ( smWrapFunction_TD myWF ); |
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#ifdef IS_MPI |
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void F90_FUNC(wrapsimparallelmod, WRAPSIMPARALLELMOD) (void (*wrapFunction)(void (*p1) setFortranMPIlist) ); |
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typedef void (*spmWrapFunction_TD)( setFortranMPI_TD p1 ); |
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void F90_FUNC(wrapsimparallelmod, WRAPSIMPARALLELMOD)(spmWrapFunction_TD myWF); |
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#endif // is_mpi |
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} |
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void wrapFF( void (*p1) makeAtypeList, void (*p2) initFortranFFList, |
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void (*p3) doForceLoopList, void (*p4) set_sticky_params_List, |
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void (*p5) set_gb_pair_params_List, void (*p6) newEAMtype_List); |
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void (*makeAtype) makeAtypeList; |
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void (*initFortranFF) initFortranFFList; |
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void (*set_sticky_params) set_sticky_params_List; |
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void (*set_gb_pair_params) set_gb_pair_params_List; |
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void (*newEAMtype) newEAMtype_List; |
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// declare the functions that are defined in this file |
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extern "C"{ |
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void wrapFF(makeAtype_TD p1, |
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initFortranFF_TD p2, |
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doForceLoop_TD p3, |
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set_sticky_params_TD p4, |
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set_gb_pair_params_TD p5, |
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newEAMtype_TD p6 ); |
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void wrapSimInfo( void (*p1) setFortranSimList, void (*p2) setFortranBoxList, |
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void (*p3) notifyFortranCutOffList ); |
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void wrapSimInfo(setFortranSim_TD p1, |
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setFortranBox_TD p2, |
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notifyFortranCutOff_TD p3 ); |
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#ifdef IS_MPI |
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void wrapSimParallel(void (*p1) setFortranMPIlist ); |
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#endif // is_mpi |
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void wrapSimParallel( setFortranMPI_TD p1 ); |
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#endif |
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} |
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// take care of the ForceField functions |
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ForceFields* currentFF; |
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F90_FUNC(wrapforcefield, WRAPFORCEFIELD)( wrapFF ); |
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} |
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void wrapFF( void (*p1) makeAtypeList, void (*p2) initFortranFFList, |
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void (*p3) doForceLoopList, void (*p4) set_sticky_params_List, |
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void (*p5) set_gb_pair_params_List, void (*p6) newEAMtype_List){ |
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extern "C" void wrapFF( makeAtype_TD p1, |
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initFortranFF_TD p2, |
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doForceLoop_TD p3, |
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set_sticky_params_TD p4, |
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set_gb_pair_params_TD p5, |
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newEAMtype_TD p6 ){ |
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makeAtype = p1; |
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initFortranFF = p2; |
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set_sticky_params = p4; |
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set_gb_pair_params = p5; |
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newEAMtype = p6; |
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} |
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F90_FUNC(wrapsimmod, WRAPSIMMOD) ( wrapSimInfo ); |
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} |
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void wrapSimInfo( void (*p1) setFortranSimList, void (*p2) setFortranBoxList, |
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void (*p3) notifyFortranCutOffList){ |
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extern "C" void wrapSimInfo( setFortranSim_TD p1, |
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setFortranBox_TD p2, |
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notifyFortranCutOff_TD p3 ){ |
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currentPlug->setInternal( p1, p2, p3 ); |
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} |
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+ |
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#ifdef IS_MPI |
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// wrap the mpiSim functions |
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F90_FUNC(wrapsimparallelmod, WRAPSIMPARALLELMOD) ( wrapSimParallel ); |
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} |
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void wrapSimParallel(void (*p1) setFortranMPIlist ){ |
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extern "C" void wrapSimParallel( setFortranMPI_TD p1 ){ |
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currentMPIsim->setInternal( p1 ); |
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} |
