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#ifndef __MPIBASS_H |
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#define __MPIBASS_H |
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#include "config.h" |
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|
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#define MPI_INTERFACE_ABORT 2 |
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#define MPI_INTERFACE_DONE 1 |
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#define MPI_INTERFACE_CONTINUE 0 |
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|
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#include <mpi.h> |
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|
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#ifndef __is_lex__ |
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#include "io/BASS_interface.h" |
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#endif |
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|
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#ifdef __cplusplus |
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extern "C" { |
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#endif |
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|
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void mpiInterfaceExit(void); |
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void mpiEventInit(void); |
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#ifndef __is_lex__ |
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void throwMPIEvent(event* event); |
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void mpiEventLoop(void); |
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#endif |
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|
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#ifdef __cplusplus |
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} |
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#endif |
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|
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// Structure to pass mpi a BASS event |
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|
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typedef struct mpiBASSEvent{ |
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int type; |
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double d1,d2,d3; |
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int i1; |
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char cArray[120]; |
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char lhs[80]; |
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} mBEvent; |
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|
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// types for mpiBASSEvent.type |
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#define mpiMOLECULE 0 |
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#define mpiATOM 1 |
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#define mpiBOND 2 |
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#define mpiBEND 3 |
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#define mpiTORSION 4 |
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#define mpiCOMPONENT 5 |
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#define mpiPOSITION 6 |
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#define mpiASSIGNMENT_i 7 |
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#define mpiASSIGNMENT_d 8 |
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#define mpiASSIGNMENT_s 9 |
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#define mpiMEMBERS 10 |
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#define mpiCONSTRAINT 11 |
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#define mpiORIENTATION 12 |
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#define mpiBLOCK_END 13 |
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#define mpiZCONSTRAINT 14 |
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#define mpiRIGIDBODY 15 |
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#define mpiCUTOFFGROUP 16 |
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#define mpiMEMBER 17 |
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|
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|
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// Define the mpi datatype |
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#ifdef __mpiBASSEVENT |
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MPI_Datatype mpiBASSEventType; |
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#endif |
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|
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#endif |
