| 356 |
|
|
| 357 |
|
AtomType* at = new AtomType(); |
| 358 |
|
at->setIdent(currentAtomType->ident); |
| 359 |
+ |
printf ("currentName = %s\n", currentAtomType->name); |
| 360 |
|
at->setName(currentAtomType->name); |
| 361 |
+ |
printf("Did setName\n"); |
| 362 |
|
at->setLennardJones(); |
| 363 |
+ |
printf("Did setLennardJones\n"); |
| 364 |
|
at->complete(); |
| 365 |
+ |
printf("Did complete\n"); |
| 366 |
|
|
| 367 |
|
} |
| 368 |
|
currentAtomType = currentAtomType->next; |
| 387 |
|
currentAtomType = currentAtomType->next; |
| 388 |
|
} |
| 389 |
|
|
| 390 |
< |
entry_plug->useLJ = 1; |
| 390 |
> |
entry_plug->useLennardJones = 1; |
| 391 |
|
|
| 392 |
|
#ifdef IS_MPI |
| 393 |
|
sprintf( checkPointMsg, |