1 |
#ifndef __FORTRAN_WRAP_DEFINES_H__ |
2 |
#define __FORTRAN_WRAP_DEFINES_H__ |
3 |
|
4 |
// this defines some function lists, that are too long to keep track |
5 |
// of everywhere |
6 |
|
7 |
#define makeAtypeList ( int* unique_ident, \ |
8 |
int* isLJ, int* isSticky, int* isDipole, int* isGB, \ |
9 |
double* lj_epslon, double* lj_sigma, \ |
10 |
double* dipole_moment, double* w0, double* v0,\ |
11 |
double* GB_sigma, double* GB_l2b_ratio, double* GB_eps, \ |
12 |
double* GB_eps_ratio, double* GB_mu, double* GB_nu, \ |
13 |
int* status ) |
14 |
|
15 |
#define initFortranFFList ( ff_type* the_FFinfo, int *isError ) |
16 |
|
17 |
#define doForceLoopList ( double* positionArray, double* RotationMatrixArray,\ |
18 |
double *dipoleMomentArray, double unitVectorArray_l, double* forceArray,\ |
19 |
double *torqueArray, double* StressTensor, double* potentialEnergy,\ |
20 |
short int* doPotentialCalc, int* isError ) |
21 |
|
22 |
#define setFortranSimList ( simtype* the_Info, int* isError ) |
23 |
|
24 |
#ifdef IS_MPI |
25 |
|
26 |
#define setFortanMPIlist (mpiSimData* the_mpiPlug, int *nLocal,\ |
27 |
int* globalIndex, int* isError ) |
28 |
|
29 |
#endif // is_mpi |
30 |
|
31 |
#endif // frotranWrapDefines.hpp |