Changed default deltabin from 2 to 3

2018-06-26 13:06:04 +02:00
parent 9108306c11
commit f36e1a2cdc
2 changed files with 12 additions and 12 deletions
--- a/src/USER-MISC/compute_entropy_atom.cpp
+++ b/src/USER-MISC/compute_entropy_atom.cpp
@ -101,8 +101,8 @@ ComputeEntropyAtom(LAMMPS *lmp, int narg, char **arg) :
  maxneigh = 0;
  // Number of bins above and below the central one that will be
  // considered as affected by the gaussian kernel
-  // 2 seems a good compromise between speed and good mollification
-  deltabin = 2;
+  // 3 seems a good compromise between speed and good mollification
+  deltabin = 3;
  deltar = sigma;
  peratom_flag = 1;
  size_peratom_cols = 0;