# | Line 418 | Line 418 | void LJFF::initializeAtoms( int nAtoms, Atom** the_ato | |
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418 | } | |
419 | ||
420 | the_atoms[i]->setMass( currentAtomType->mass ); | |
421 | – | the_atoms[i]->setEpslon( currentAtomType->epslon ); |
422 | – | the_atoms[i]->setSigma( currentAtomType->sigma ); |
421 | the_atoms[i]->setIdent( currentAtomType->ident ); | |
424 | – | the_atoms[i]->setLJ(); |
422 | ||
423 | if( bigSigma < currentAtomType->sigma ) bigSigma = currentAtomType->sigma; | |
424 | } |
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