Commit a692398b authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

fix bug in reserving sufficient space for special atoms 

assigning atom->maxspecial will not work, since it will be reset, e.g. when reading from a data file that doesn't have any special neighbors.
instead we need to set force->special_extra so this is going to be preserved.
parent ff541e9a

src/create_box.cpp

+1 −1
Original line number Diff line number Diff line
@@ -158,7 +158,7 @@ void CreateBox::command(int narg, char **arg) 
      iarg += 2;

    } else if (strcmp(arg[iarg],"extra/special/per/atom") == 0) {

      if (iarg+2 > narg) error->all(FLERR,"Illegal create_box command");

      atom->maxspecial = force->inumeric(FLERR,arg[iarg+1]);

      force->special_extra = force->inumeric(FLERR,arg[iarg+1]);

      iarg += 2;

    } else error->all(FLERR,"Illegal create_box command");

  }

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