| # | Line 33 | Line 33 | MPI_Datatype mpiAtomStructType; | |
|---|---|---|
| 33 | #endif | |
| 34 | ||
| 35 | ||
| 36 | + | // declaration of functions needed to wrap the fortran module |
| 37 | + | |
| 38 | + | extern "C" { |
| 39 | + | void forcefactory_( char* forceName, |
| 40 | + | int* status, |
| 41 | + | void (*wrapFunction)( void (* |
| 42 | + | |
| 43 | + | |
| 44 | + | |
| 45 | LJ_FF::LJ_FF(){ | |
| 46 | ||
| 47 | char fileName[200]; | |
| # | Line 295 | Line 304 | void LJ_FF::initializeAtoms( void ){ | |
| 304 | } | |
| 305 | #endif // is_mpi | |
| 306 | ||
| 307 | < | |
| 307 | > | // call new A_types in fortran |
| 308 | > | |
| 309 | > | |
| 310 | // initialize the atoms | |
| 311 | ||
| 312 | Atom* thisAtom; | |
| – | Removed lines |
| + | Added lines |
| < | Changed lines |
| > | Changed lines |