1 |
#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 |
double* sigma, int* isDipole, int* isSSd, double* dipole, double* w0, \ |
9 |
double* v0, int* status ) |
10 |
|
11 |
#define initFortranFFList ( int *nLocal, int *identArray, int *isError ) |
12 |
|
13 |
#define doForceLoopList ( double* positionArray,double* forceArray, \ |
14 |
double* potentialEnergy, double* tau, short int* doPotentialCalc, \ |
15 |
int* isError ) |
16 |
|
17 |
#define setFortanSimList ( simtype* the_Info, int* isError ) |
18 |
|
19 |
#ifdef IS_MPI |
20 |
|
21 |
#define setFortanMPIlist (mpiSimData* the_mpiPlug, int *nLocal,\ |
22 |
int* globalIndex, int* isError ) |
23 |
|
24 |
#endif // is_mpi |
25 |
|
26 |
#endif // frotranWrapDefines.hpp |