From da2e6b238925d6c6329bd10395b81ef7b9013d90 Mon Sep 17 00:00:00 2001 From: Evangelos Voyiatzis Date: Tue, 10 Mar 2020 21:55:17 +0100 Subject: [PATCH] small cleaning --- src/USER-MISC/pair_coul_slater_cut.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/src/USER-MISC/pair_coul_slater_cut.cpp b/src/USER-MISC/pair_coul_slater_cut.cpp index 7d7e727d0d..33363b869a 100644 --- a/src/USER-MISC/pair_coul_slater_cut.cpp +++ b/src/USER-MISC/pair_coul_slater_cut.cpp @@ -103,7 +103,7 @@ void PairCoulSlaterCut::compute(int eflag, int vflag) } if (eflag) ecoul = factor_coul * qqrd2e * - scale[itype][jtype] * qtmp*q[j] * rinv * + scale[itype][jtype] * qtmp*q[j] * rinv * (1 - (1 + r/lamda)*exp(-2*r/lamda)); if (evflag) ev_tally(i,j,nlocal,newton_pair,