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, |