Add pair_modify option to allow separate cutoffs for each neigh list with pair hybrid/overlay

2022-07-07 16:48:03 -06:00
parent 7d06ee9aa7
commit de274cddef
22 changed files with 1069 additions and 73 deletions
--- a/src/pair.cpp
+++ b/src/pair.cpp
@ -204,6 +204,10 @@ void Pair::modify_params(int narg, char **arg)
    } else if (strcmp(arg[iarg],"nofdotr") == 0) {
      no_virial_fdotr_compute = 1;
      ++iarg;
+    } else if (strcmp(arg[iarg],"neigh/trim") == 0) {
+      if (iarg+2 > narg) error->all(FLERR,"Illegal pair_modify command");
+      trim_flag = utils::logical(FLERR,arg[iarg+1],false,lmp);
+      iarg += 2;
    } else error->all(FLERR,"Illegal pair_modify command");
  }
 }