| 1 |
#ifndef __FORTRAN_WRAP_DEFINES_H__ |
| 2 |
#define __FORTRAN_WRAP_DEFINES_H__ |
| 3 |
|
| 4 |
#define __C |
| 5 |
#include "fSimulation.h" |
| 6 |
|
| 7 |
// here we declare the function pointer typedefs for fortran functions |
| 8 |
|
| 9 |
extern "C" { |
| 10 |
|
| 11 |
typedef void (*makeAtype_TD) ( int* unique_ident, |
| 12 |
int* isLJ, |
| 13 |
int* isSticky, |
| 14 |
int* isDipole, |
| 15 |
int* isGB, |
| 16 |
int* isEAM, |
| 17 |
int* isCharge, |
| 18 |
double* lj_epslon, |
| 19 |
double* lj_sigma, |
| 20 |
double* charge, |
| 21 |
double* dipole_moment, |
| 22 |
int* status ); |
| 23 |
|
| 24 |
typedef void (*newEAMtype_TD)( double* lattice_constant, |
| 25 |
int* eam_nrho, |
| 26 |
double* eam_drho, |
| 27 |
int* eam_nr, |
| 28 |
double* eam_dr, |
| 29 |
double* eam_rcut, |
| 30 |
double* eam_rvals, |
| 31 |
double* eam_rhovals, |
| 32 |
double* eam_Frhovals, |
| 33 |
int* eam_ident, |
| 34 |
int* status ); |
| 35 |
|
| 36 |
typedef void (*initFortranFF_TD)( int* LJ_mix_policy, |
| 37 |
int* useReactionField, |
| 38 |
int *isError ); |
| 39 |
|
| 40 |
typedef void (*doForceLoop_TD)( double* positionArray, |
| 41 |
double* rcArray, |
| 42 |
double* massRatioArray, |
| 43 |
double* RotationMatrixArray, |
| 44 |
double* unitVectorArray_l, |
| 45 |
double* forceArray, |
| 46 |
double *torqueArray, |
| 47 |
double* StressTensor, |
| 48 |
double* potentialEnergy, |
| 49 |
short int* doPotentialCalc, |
| 50 |
short int* doStressCalc, |
| 51 |
int* isError ); |
| 52 |
|
| 53 |
typedef void (*set_sticky_params_TD)( double* sticky_w0, |
| 54 |
double* sticky_v0, |
| 55 |
double* sticky_v0p, |
| 56 |
double* sticky_rl, |
| 57 |
double* sticky_ru, |
| 58 |
double* sticky_rlp, |
| 59 |
double* sticky_rup ); |
| 60 |
|
| 61 |
typedef void (*set_gb_pair_params_TD)( double* GB_sigma, |
| 62 |
double* GB_l2b_ratio, |
| 63 |
double* GB_eps, |
| 64 |
double* GB_eps_ratio, |
| 65 |
double* GB_mu, |
| 66 |
double* GB_nu ); |
| 67 |
|
| 68 |
typedef void (*setFortranSim_TD)( simtype* the_Info, |
| 69 |
int* nGlobal, |
| 70 |
int* nLocal, |
| 71 |
int* identArray, |
| 72 |
int* nLocalExcludes, |
| 73 |
int* excludesLocalArray, |
| 74 |
int* nGloabalsExcludes, |
| 75 |
int* excludesGlobalArray, |
| 76 |
int* molMembershipArray, |
| 77 |
int* isError ); |
| 78 |
|
| 79 |
typedef void (*setFortranBox_TD) ( double *Hmat, |
| 80 |
double *HmatI, |
| 81 |
int* orthoRhombic ); |
| 82 |
|
| 83 |
typedef void (*notifyFortranCutOff_TD) ( double *rCut, |
| 84 |
double *rList, |
| 85 |
double *ecr, |
| 86 |
double *est ); |
| 87 |
} |
| 88 |
|
| 89 |
|
| 90 |
#ifdef IS_MPI |
| 91 |
|
| 92 |
#include "mpiComponentPlan.h" |
| 93 |
|
| 94 |
|
| 95 |
|
| 96 |
extern "C" { |
| 97 |
|
| 98 |
typedef void (*setFortranMPI_TD)( mpiSimData* the_mpiPlug, |
| 99 |
int *nLocal, |
| 100 |
int* globalIndexArray, |
| 101 |
int* isError ); |
| 102 |
|
| 103 |
} |
| 104 |
|
| 105 |
#endif // is_mpi |
| 106 |
|
| 107 |
#endif // frotranWrapDefines.hpp |
