From cf4e5e7976617ee83c09c2ebe118ed5afca25872 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Tue, 24 Jun 2008 19:44:54 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@1922 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/DPD/pair_dpd.cpp | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/DPD/pair_dpd.cpp b/src/DPD/pair_dpd.cpp index 4ca95610b7..0d88ae8db1 100644 --- a/src/DPD/pair_dpd.cpp +++ b/src/DPD/pair_dpd.cpp @@ -149,7 +149,7 @@ void PairDPD::compute(int eflag, int vflag) } if (eflag) { - evdwl = a0[itype][jtype] * r * (1.0 - 0.5*r/cut[itype][jtype]); + evdwl = -a0[itype][jtype] * r * (1.0 - 0.5*r/cut[itype][jtype]); evdwl *= factor_dpd; } @@ -383,6 +383,6 @@ double PairDPD::single(int i, int j, int itype, int jtype, double rsq, wd = 1.0 - r/cut[itype][jtype]; fforce = a0[itype][jtype]*wd * factor_dpd*rinv; - phi = a0[itype][jtype] * r * (1.0 - 0.5*r/cut[itype][jtype]); + phi = -a0[itype][jtype] * r * (1.0 - 0.5*r/cut[itype][jtype]); return factor_dpd*phi; }