Unverified Commit 34cfe07f authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

fix energy computation bug in pair style nm/cut/omp

parent 558d2eb8

src/USER-OMP/pair_nm_cut_omp.cpp

+1 −0
Original line number Diff line number Diff line
@@ -147,6 +147,7 @@ void PairNMCutOMP::eval(int iifrom, int iito, ThrData * const thr) 
          evdwl = e0nmi[jtype] *

            (mmi[jtype]*r0ni[jtype]*rninv -

             nni[jtype]*r0mi[jtype]*rminv) - offseti[jtype];

          evdwl *= factor_lj;

        }



        if (EVFLAG) ev_tally_thr(this,i,j,nlocal,NEWTON_PAIR,

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