smooth cutoff function for LAMMPS airebo

smooth_airebo.diff

diff --git a/src/MANYBODY/pair_airebo.cpp b/src/MANYBODY/pair_airebo.cpp
index f655506..b424e91 100644
--- a/src/MANYBODY/pair_airebo.cpp
+++ b/src/MANYBODY/pair_airebo.cpp
@@ -713,9 +713,12 @@ void PairAIREBO::FLJ(int eflag, int vflag)
       sigcut = 3.0;
       sigmin = sigcut - sigwid;
 
-      rljmin = sigma[itype][jtype];
-      rljmax = sigcut * rljmin;
-      rljmin = sigmin * rljmin;
+      /* rljmin = sigma[itype][jtype]; */
+      /* rljmax = sigcut * rljmin; */
+      /* rljmin = sigmin * rljmin; */
+
+      rljmin = 3.816370964251868;
+      rljmax = cutlj * sigma[itype][jtype];
 
       if (rij > rljmax) {
         slw = 0.0;
diff --git a/src/USER-OMP/pair_airebo_omp.cpp b/src/USER-OMP/pair_airebo_omp.cpp
index ec788fd..0878be2 100644
--- a/src/USER-OMP/pair_airebo_omp.cpp
+++ b/src/USER-OMP/pair_airebo_omp.cpp
@@ -2154,9 +2154,12 @@ void PairAIREBOOMP::FLJ_thr(int ifrom, int ito, int evflag, int eflag,
       sigcut = 3.0;
       sigmin = sigcut - sigwid;
 
-      rljmin = sigma[itype][jtype];
-      rljmax = sigcut * rljmin;
-      rljmin = sigmin * rljmin;
+/*       rljmin = sigma[itype][jtype]; */
+/*       rljmax = sigcut * rljmin; */
+/*       rljmin = sigmin * rljmin; */ 
+
+      rljmin = 3.816370964251868;
+      rljmax = cutlj * sigma[itype][jtype];
 
       if (rij > rljmax) {
         slw = 0.0;