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Commit 75d944dd authored by mkirsz's avatar mkirsz
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Zi Zj fix

parent c8a28075
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......@@ -208,7 +208,7 @@ void PairTadah::compute_2b_mb_half(int eflag, int vflag)
lt->S.dmb->calc_rho(Zi,Zj,rij,rij_sq,delij,lt->rhos.col(i));
if (newton_pair || j < nlocal) {
lt->S.dmb->calc_rho(Zi,Zj,rij,rij_sq,-delij,lt->rhos.col(j));
lt->S.dmb->calc_rho(Zj,Zi,rij,rij_sq,-delij,lt->rhos.col(j));
}
}
}
......
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