| # | Line 397 | Line 397 | void LJ_FF::readParams( void ){ | |
|---|---|---|
| 397 | currentAtomType = currentAtomType->next; | |
| 398 | } | |
| 399 | ||
| 400 | + | entry_plug->useLJ = 1; |
| 401 | + | |
| 402 | #ifdef IS_MPI | |
| 403 | sprintf( checkPointMsg, | |
| 404 | "LJ_FF atom structures successfully sent to fortran\n" ); | |
| # | Line 435 | Line 437 | void LJ_FF::initializeAtoms( int nAtoms, Atom** the_at | |
| 437 | if( bigSigma < currentAtomType->sigma ) bigSigma = currentAtomType->sigma; | |
| 438 | } | |
| 439 | ||
| 438 | – | entry_plug->useLJ = 1; |
| 440 | ||
| 441 | + | |
| 442 | #ifdef IS_MPI | |
| 443 | sprintf( checkPointMsg, "LJ_FF atoms initialized succesfully" ); | |
| 444 | MPIcheckPoint(); | |
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