Commit 9222278f authored by Axel Kohlmeyer's avatar Axel Kohlmeyer
Browse files

match reax/c pair style variants against prefix and not full name

parent 30259964

src/USER-REAXC/compute_spec_atom.cpp

+1 −3
Original line number Diff line number Diff line
@@ -43,9 +43,7 @@ ComputeSpecAtom::ComputeSpecAtom(LAMMPS *lmp, int narg, char **arg) : 
  else size_peratom_cols = nvalues;



  // Initiate reaxc

  reaxc = (PairReaxC *) force->pair_match("reax/c",1);

  if (reaxc == NULL)

    reaxc = (PairReaxC *) force->pair_match("reax/c/kk",1);

  reaxc = (PairReaxC *) force->pair_match("reax/c",0);



  pack_choice = new FnPtrPack[nvalues];

src/USER-REAXC/fix_reaxc_species.cpp

+1 −4
Original line number Diff line number Diff line
@@ -298,10 +298,7 @@ void FixReaxCSpecies::init() 
  if (atom->tag_enable == 0)

    error->all(FLERR,"Cannot use fix reax/c/species unless atoms have IDs");



  reaxc = (PairReaxC *) force->pair_match("reax/c",1);

  if (reaxc == NULL)

    reaxc = (PairReaxC *) force->pair_match("reax/c/kk",1);



  reaxc = (PairReaxC *) force->pair_match("reax/c",0);

  if (reaxc == NULL) error->all(FLERR,"Cannot use fix reax/c/species without "

		  "pair_style reax/c");

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