Merge pull request #2770 from strlnkv/wall_region_morse_bug_fix

wall/region Morse potential derivative correction
2021-05-19 20:07:26 -04:00
parent b2641a4836 343fe6392b
commit a9427f20b2
1 changed files with 1 additions and 1 deletions
--- 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;
 }