| 1 |
mmeineke |
293 |
#ifndef __FORTAN_WRAP_DEFINES_H__ |
| 2 |
|
|
#ifndef __FORTAN_WRAP_DEFINES_H__ |
| 3 |
|
|
|
| 4 |
|
|
// this defines some function lists, that are too long to keep track |
| 5 |
|
|
// of everywhere |
| 6 |
|
|
|
| 7 |
|
|
#define newAtypeList ( int* ident, double* mass, double* epslon, \ |
| 8 |
mmeineke |
296 |
double* sigma, int* isLJ, int* isSSD, int* isDipole, int* isGB \ |
| 9 |
|
|
double* w0, double* v0, double* dipole, int* status ) |
| 10 |
mmeineke |
293 |
|
| 11 |
|
|
#define initFortranFFList ( int *nLocal, int *identArray, int *isError ) |
| 12 |
|
|
|
| 13 |
mmeineke |
296 |
#define doForceLoopList ( double* positionArray, double* RotationMatrixArray,\ |
| 14 |
|
|
double *dipoleMomentArray, double unitVectorArray_l, double* forceArray,\ |
| 15 |
|
|
double *torqueArray, double* StressTensor, double* potentialEnergy,\ |
| 16 |
|
|
short int* doPotentialCalc, int* isError ) |
| 17 |
mmeineke |
293 |
|
| 18 |
|
|
#define setFortanSimList ( simtype* the_Info, int* isError ) |
| 19 |
|
|
|
| 20 |
|
|
#ifdef IS_MPI |
| 21 |
|
|
|
| 22 |
|
|
#define setFortanMPIlist (mpiSimData* the_mpiPlug, int *nLocal,\ |
| 23 |
|
|
int* globalIndex, int* isError ) |
| 24 |
|
|
|
| 25 |
|
|
#endif // is_mpi |
| 26 |
|
|
|
| 27 |
|
|
#endif // frotranWrapDefines.hpp |