From a67287418678ec9644cb4db47b8045bac9383c43 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Wed, 21 Feb 2018 10:04:13 +0100 Subject: [PATCH] Update comment Clarify the comment as to why this else branch was added and what this represents. --- src/REPLICA/fix_neb.cpp | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/src/REPLICA/fix_neb.cpp b/src/REPLICA/fix_neb.cpp index ff37954233..33f834a140 100644 --- a/src/REPLICA/fix_neb.cpp +++ b/src/REPLICA/fix_neb.cpp @@ -425,11 +425,11 @@ void FixNEB::min_post_force(int vflag) tangent[i][0] = vmax*delxn + vmin*delxp; tangent[i][1] = vmax*delyn + vmin*delyp; tangent[i][2] = vmax*delzn + vmin*delzp; - } else if(vnext < vprev) { + } else if (vnext < vprev) { tangent[i][0] = vmin*delxn + vmax*delxp; tangent[i][1] = vmin*delyn + vmax*delyp; tangent[i][2] = vmin*delzn + vmax*delzp; - } else { //AGNI "old-tangent" method + } else { // vnext == vprev, e.g. for potentials that do not compute an energy tangent[i][0] = delxn + delxp; tangent[i][1] = delyn + delyp; tangent[i][2] = delzn + delzp;