# | 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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