--- trunk/OOPSE/libmdtools/fortranWrapDefines.hpp 2003/04/05 02:45:39 461 +++ trunk/OOPSE/libmdtools/fortranWrapDefines.hpp 2003/07/01 21:33:45 569 @@ -4,7 +4,7 @@ // 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, double* w0, double* v0, double* GB_sigma, double* GB_l2b_ratio, double* GB_eps, double* GB_eps_ratio, double* GB_mu, double* GB_nu, int* status ) +#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 initFortranFFList ( int* LJ_mix_policy, int* useReactionField, int *isError ) @@ -14,11 +14,11 @@ #define set_sticky_params_List ( double* sticky_w0, double* sticky_v0 ) -#define set_gb_pair_params_List ( double* sigma, double* l2b_ratio, double* eps, double* eps_ratio, double* mu, double* nu ) +#define set_gb_pair_params_List ( double* GB_sigma, double* GB_l2b_ratio, double* GB_eps, double* GB_eps_ratio, double* GB_mu, double* GB_nu ) -#define setFortranSimList ( simtype* the_Info, int* nLocal, int* identArray, int* nLocalExcludes, int* excludesLocalArray, int* nGloabalsExcludes, int* excludesGlobalArray, int* isError ) +#define setFortranSimList ( simtype* the_Info, int* nGlobal, int* nLocal, int* identArray, int* nLocalExcludes, int* excludesLocalArray, int* nGloabalsExcludes, int* excludesGlobalArray, int* molMembershipArray, int* isError ) -#define setFortranBoxList ( double *BoxArray ) +#define setFortranBoxList ( double *Hmat, double *HmatI, int* orthoRhombic ) // BoxArray is a length 3 array #ifdef IS_MPI