--- trunk/OOPSE/libmdtools/fortranWrapDefines.hpp 2003/10/28 22:25:46 836 +++ trunk/OOPSE/libmdtools/fortranWrapDefines.hpp 2004/05/01 18:52:38 1144 @@ -7,18 +7,20 @@ extern "C" { // here we declare the function pointer typedefs for fortran functions extern "C" { - + typedef void (*makeAtype_TD) ( int* unique_ident, int* isLJ, int* isSticky, int* isDipole, int* isGB, int* isEAM, + int* isCharge, double* lj_epslon, double* lj_sigma, + double* charge, double* dipole_moment, int* status ); - + typedef void (*newEAMtype_TD)( double* lattice_constant, int* eam_nrho, double* eam_drho, @@ -36,6 +38,7 @@ extern "C" { int *isError ); typedef void (*doForceLoop_TD)( double* positionArray, + double* rcArray, double* RotationMatrixArray, double* unitVectorArray_l, double* forceArray, @@ -70,6 +73,10 @@ extern "C" { int* nGloabalsExcludes, int* excludesGlobalArray, int* molMembershipArray, + double* mfact, + int* ngroup, + int* groupList, + int* groupStart, int* isError ); typedef void (*setFortranBox_TD) ( double *Hmat,