wall/region Morse potential derivative correction

The 1/r part due to dr/dx is added further in post_force().
2021-05-15 23:54:42 +03:00
parent e6178892c7
commit 343fe6392b
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;
 }