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, |
38 |
|
int *isError ); |
39 |
|
|
40 |
|
typedef void (*doForceLoop_TD)( double* positionArray, |
41 |
+ |
double* rcArray, |
42 |
|
double* RotationMatrixArray, |
43 |
|
double* unitVectorArray_l, |
44 |
|
double* forceArray, |
70 |
|
int* identArray, |
71 |
|
int* nLocalExcludes, |
72 |
|
int* excludesLocalArray, |
73 |
< |
int* nGloabalsExcludes, |
73 |
> |
int* nGlobalExcludes, |
74 |
|
int* excludesGlobalArray, |
75 |
|
int* molMembershipArray, |
76 |
+ |
double* mfact, |
77 |
+ |
int* ngroup, |
78 |
+ |
int* groupList, |
79 |
+ |
int* groupStart, |
80 |
|
int* isError ); |
81 |
|
|
82 |
|
typedef void (*setFortranBox_TD) ( double *Hmat, |
84 |
|
int* orthoRhombic ); |
85 |
|
|
86 |
|
typedef void (*notifyFortranCutOff_TD) ( double *rCut, |
87 |
< |
double *rList, |
88 |
< |
double *ecr, |
84 |
< |
double *est ); |
87 |
> |
double *rSw, |
88 |
> |
double *rList ); |
89 |
|
} |
90 |
|
|
91 |
|
|
98 |
|
extern "C" { |
99 |
|
|
100 |
|
typedef void (*setFortranMPI_TD)( mpiSimData* the_mpiPlug, |
101 |
< |
int *nLocal, |
101 |
> |
int* nLocal, |
102 |
|
int* globalIndexArray, |
103 |
|
int* isError ); |
104 |
|
|