From 343fe6392b29edf5a4e8e8c95b4f294273771d08 Mon Sep 17 00:00:00 2001
From: strlnkv <51049363+strlnkv@users.noreply.github.com>
Date: Sat, 15 May 2021 23:54:42 +0300
Subject: [PATCH] wall/region Morse potential derivative correction

The 1/r part due to dr/dx is added further in post_force().
---
 src/fix_wall_region.cpp | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/src/fix_wall_region.cpp b/src/fix_wall_region.cpp
index d521e8e216..869a632b89 100644
--- a/src/fix_wall_region.cpp
+++ b/src/fix_wall_region.cpp
@@ -397,7 +397,7 @@ void FixWallRegion::morse(double r)
 {
   double dr = r - sigma;
   double dexp = exp(-alpha * dr);
-  fwall = coeff1 * (dexp*dexp - dexp) / r;
+  fwall = coeff1 * (dexp*dexp - dexp);
   eng = epsilon * (dexp*dexp - 2.0*dexp) - offset;
 }