diff --git a/src/compute_pair_local.cpp b/src/compute_pair_local.cpp index b1bfcbe8b5381d5e3cb36d05984eae0de403af94..cbb779b6c17f6f85158cc791a6ca3e1116d0eb80 100644 --- a/src/compute_pair_local.cpp +++ b/src/compute_pair_local.cpp @@ -192,7 +192,7 @@ int ComputePairLocal::compute_pairs(int flag) if (eflag >= 0 || fflag >= 0) { eng = pair->single(i,j,itype,jtype,rsq,factor_coul,factor_lj,fpair); if (eflag >= 0) ebuf[n] = eng; - if (fflag >= 0) fbuf[n] = fpair; + if (fflag >= 0) fbuf[n] = sqrt(rsq)*fpair; } n += nvalues; }