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#ifndef __FORTRAN_WRAP_DEFINES_H__ |
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#define __FORTRAN_WRAP_DEFINES_H__ |
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// this defines some function lists, that are too long to keep track |
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// of everywhere |
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#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 ) |
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#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 ) |
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#define initFortranFFList ( int* LJ_mix_policy, int* useReactionField, int *isError ) |
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#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 ) |
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#define set_sticky_params_List ( double* sticky_w0, double* sticky_v0, double* sticky_v0p, double* sticky_rl, double* sticky_ru, double* sticky_rlp, double* sticky_rup ) |
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#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 ) |
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#define setFortranSimList ( simtype* the_Info, int* nGlobal, int* nLocal, int* identArray, int* nLocalExcludes, int* excludesLocalArray, int* nGloabalsExcludes, int* excludesGlobalArray, int* molMembershipArray, int* isError ) |
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#define setFortranBoxList ( double *Hmat, double *HmatI, int* orthoRhombic ) |
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// BoxArray is a length 3 array |
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#define notifyFortranCutOffList ( double *rCut, double *rList, double *ecr, double *est ) |
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#ifdef IS_MPI |
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#define setFortranMPIlist (mpiSimData* the_mpiPlug, int *nLocal, int* globalIndexArray, int* isError ) |
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#endif // is_mpi |
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#endif // frotranWrapDefines.hpp |
