Unverified Commit 83291fdd authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

may not use pair_style kim before box is defined

NOTE: this will not happen when the kim_init and kim_interactions commands are used.
parent f969d9ab
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+7 −0
Original line number Diff line number Diff line
@@ -285,6 +285,13 @@ void PairKIM::allocate()

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;