--- trunk/OOPSE/libmdtools/fortranWrapDefines.hpp 2004/01/13 23:01:43 941 +++ trunk/OOPSE/libmdtools/fortranWrapDefines.hpp 2004/06/01 18:42:58 1214 @@ -20,7 +20,7 @@ extern "C" { double* charge, double* dipole_moment, int* status ); - + typedef void (*newEAMtype_TD)( double* lattice_constant, int* eam_nrho, double* eam_drho, @@ -38,6 +38,7 @@ extern "C" { int *isError ); typedef void (*doForceLoop_TD)( double* positionArray, + double* rcArray, double* RotationMatrixArray, double* unitVectorArray_l, double* forceArray, @@ -69,9 +70,12 @@ extern "C" { int* identArray, int* nLocalExcludes, int* excludesLocalArray, - int* nGloabalsExcludes, + int* nGlobalExcludes, int* excludesGlobalArray, int* molMembershipArray, + double* mfact, + int* ngroup, + int* globalGroupMembership, int* isError ); typedef void (*setFortranBox_TD) ( double *Hmat, @@ -79,9 +83,8 @@ extern "C" { int* orthoRhombic ); typedef void (*notifyFortranCutOff_TD) ( double *rCut, - double *rList, - double *ecr, - double *est ); + double *rSw, + double *rList ); } @@ -94,8 +97,10 @@ extern "C" { extern "C" { typedef void (*setFortranMPI_TD)( mpiSimData* the_mpiPlug, - int *nLocal, - int* globalIndexArray, + int* nLocal, + int* globalAtomIndex, + int* nGroupsLocal, + int* globalGroupIndex, int* isError ); }