| 4 |
|
// this defines some function lists, that are too long to keep track |
| 5 |
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// of everywhere |
| 6 |
|
|
| 7 |
< |
#define makeAtypeList ( int* ident, double* mass, double* epslon,\ |
| 8 |
< |
double* sigma, int* isLJ, int* isSSD, int* isDipole, int* isGB,\ |
| 9 |
< |
double* w0, double* v0, double* dipole, int* status ) |
| 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 ( int *nLocal, int *identArray, int *isError ) |
| 15 |
> |
#define initFortranFFList ( ff_type* the_FFinfo, int *isError ) |
| 16 |
|
|
| 17 |
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#define doForceLoopList ( double* positionArray, double* RotationMatrixArray,\ |
| 18 |
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double *dipoleMomentArray, double unitVectorArray_l, double* forceArray,\ |
