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root/group/trunk/OOPSE/libmdtools/DUFF.cpp
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Comparing trunk/OOPSE/libmdtools/DUFF.cpp (file contents):
Revision 707 by mmeineke, Wed Aug 20 19:42:31 2003 UTC vs.
Revision 727 by tim, Wed Aug 27 16:16:01 2003 UTC

# Line 476 | Line 476 | DUFF::DUFF(){
476    // Init the atomStruct mpi type
477  
478    atomStruct atomProto; // mpiPrototype
479 <  int atomBC[3] = {15,6,4};  // block counts
479 >  int atomBC[3] = {15,11,4};  // block counts
480    MPI_Aint atomDspls[3];           // displacements
481    MPI_Datatype atomMbrTypes[3];    // member mpi types
482  
# Line 786 | Line 786 | void DUFF::readParams( void ){
786    int isLJ = 1;
787    int isEAM =0;
788    double GB_dummy = 0.0;
789 <  
790 <  
789 >    
790    currentAtomType = headAtomType->next;;
791    while( currentAtomType != NULL ){
792      

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