# | Line 783 | Line 783 | void SimSetup::makeMolecules( void ){ | |
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783 | theBonds[j].a = currentBond->getA() + atomOffset; | |
784 | theBonds[j].b = currentBond->getB() + atomOffset; | |
785 | ||
786 | < | exI = theBonds[i].a; |
787 | < | exJ = theBonds[i].b; |
786 | > | exI = theBonds[j].a; |
787 | > | exJ = theBonds[j].b; |
788 | ||
789 | // exclude_I must always be the smaller of the pair | |
790 | if( exI > exJ ){ | |
# | Line 800 | Line 800 | void SimSetup::makeMolecules( void ){ | |
800 | ||
801 | the_excludes[j+excludeOffset]->setPair( exI, exJ ); | |
802 | #else // isn't MPI | |
803 | + | |
804 | the_excludes[j+excludeOffset]->setPair( (exI+1), (exJ+1) ); | |
805 | #endif //is_mpi | |
806 | } |
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