git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10290 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-07-23 15:18:51 +00:00
parent 2584cbe902
commit 42408bc41d
6 changed files with 20 additions and 20 deletions
--- a/src/KSPACE/pair_coul_long.cpp
+++ b/src/KSPACE/pair_coul_long.cpp
@ -48,6 +48,7 @@ PairCoulLong::PairCoulLong(LAMMPS *lmp) : Pair(lmp)
 {
  ewaldflag = pppmflag = 1;
  ftable = NULL;
+  qdist = 0.0;
 }

 /* ---------------------------------------------------------------------- */
@ -258,8 +259,7 @@ void PairCoulLong::init_style()
 double PairCoulLong::init_one(int i, int j)
 {
  scale[j][i] = scale[i][j];
-
-  return cut_coul;
+  return cut_coul+2.0*qdist;
 }

 /* ----------------------------------------------------------------------