120 |
|
void setLJfortran( void (*fortranSub)( double* positionArray, |
121 |
|
double* forceArray, |
122 |
|
double* potentialEnergy, |
123 |
< |
short int* doPotentialCalc ) ){ |
123 |
> |
double* tau, |
124 |
> |
short int* doPotentialCalc, |
125 |
> |
int* isError ) ){ |
126 |
|
doLJfortran = fortranSub; |
127 |
|
} |
128 |
|
void doForces( int ); |
136 |
|
void (*doLJfortran)( double* positionArray, |
137 |
|
double* forceArray, |
138 |
|
double* potentialEnergy, |
139 |
< |
short int* doPotentialCalc ); |
139 |
> |
double* tau, |
140 |
> |
short int* doPotentialCalc, |
141 |
> |
int* isError ); |
142 |
|
void initFortran( void ); |
143 |
|
}; |
144 |
|
|