Merge pull request #2229 from ellio167/pair_kim_before_box

void PairKIM::settings(int narg, char **arg)

{

  // some of the code below needs to know the number of atom types,

  // but that is not set until the simulation box is created.

  if (domain->box_exist == 0)

    error->all(FLERR,"May not use 'pair_style kim' command before "

               "simulation box is defined");

  // This is called when "pair_style kim ..." is read from input

  // may be called multiple times

  ++settings_call_count;

  // first time called will do nothing...

  kim_free();

  // make sure things are allocated

  if (allocated != 1) allocate();

  // clear setflag to ensure coeff() is called after settings()

  int n = atom->ntypes;

  for (int i = 1; i <= n; i++)

    for (int j = i; j <= n; j++)

      setflag[i][j] = 0;

  // set lmps_* bool flags

  set_lmps_flags();