7 |
|
// here we declare the function pointer typedefs for fortran functions |
8 |
|
|
9 |
|
extern "C" { |
10 |
< |
|
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 |
< |
|
23 |
> |
|
24 |
|
typedef void (*newEAMtype_TD)( double* lattice_constant, |
25 |
|
int* eam_nrho, |
26 |
|
double* eam_drho, |
42 |
|
double* unitVectorArray_l, |
43 |
|
double* forceArray, |
44 |
|
double *torqueArray, |
45 |
+ |
double* rcArray, |
46 |
+ |
double* massRatioArray, |
47 |
|
double* StressTensor, |
48 |
|
double* potentialEnergy, |
49 |
|
short int* doPotentialCalc, |