--- trunk/OOPSE/libmdtools/fortranWrapDefines.hpp 2003/07/16 21:30:56 626 +++ trunk/OOPSE/libmdtools/fortranWrapDefines.hpp 2003/07/17 19:25:51 631 @@ -4,8 +4,12 @@ // this defines some function lists, that are too long to keep track // of everywhere -#define makeAtypeList ( int* unique_ident, int* isLJ, int* isSticky, int* isDipole, int* isGB, double* lj_epslon, double* lj_sigma, double* dipole_moment, int* status ) +#define makeAtypeList ( int* unique_ident, int* isLJ, int* isSticky, int* isDipole, int* isGB, int* isEAM,double* lj_epslon, double* lj_sigma, double* dipole_moment, int* status ) +#define newEAMtype_List ( double* lattice_constant, int* eam_nrho,double* eam_drho,int* eam_nr, double* eam_dr, double* eam_rcut, double* eam_rvals, double* eam_rhovals, double* eam_Frhovals, int* eam_ident, int* status ) + + + #define initFortranFFList ( int* LJ_mix_policy, int* useReactionField, int *isError ) #define doForceLoopList ( double* positionArray, double* RotationMatrixArray, double* unitVectorArray_l, double* forceArray, double *torqueArray, double* StressTensor, double* potentialEnergy, short int* doPotentialCalc, short int* doStressCalc, int* isError )