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

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This commit is contained in:
Axel Kohlmeyer
2017-06-09 11:00:16 -04:00
parent 3025996407
commit 9222278fb5
2 changed files with 2 additions and 7 deletions
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4
src/USER-REAXC/compute_spec_atom.cpp
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@ -43,9 +43,7 @@ ComputeSpecAtom::ComputeSpecAtom(LAMMPS *lmp, int narg, char **arg) :
else size_peratom_cols = nvalues; else size_peratom_cols = nvalues;
// Initiate reaxc // Initiate reaxc
reaxc = (PairReaxC *) force->pair_match("reax/c",1); reaxc = (PairReaxC *) force->pair_match("reax/c",0);
if (reaxc == NULL)
reaxc = (PairReaxC *) force->pair_match("reax/c/kk",1);
pack_choice = new FnPtrPack[nvalues]; pack_choice = new FnPtrPack[nvalues];

5
src/USER-REAXC/fix_reaxc_species.cpp
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@ -298,10 +298,7 @@ void FixReaxCSpecies::init()
if (atom->tag_enable == 0) if (atom->tag_enable == 0)
error->all(FLERR,"Cannot use fix reax/c/species unless atoms have IDs"); error->all(FLERR,"Cannot use fix reax/c/species unless atoms have IDs");
reaxc = (PairReaxC *) force->pair_match("reax/c",1); reaxc = (PairReaxC *) force->pair_match("reax/c",0);
if (reaxc == NULL)
reaxc = (PairReaxC *) force->pair_match("reax/c/kk",1);
if (reaxc == NULL) error->all(FLERR,"Cannot use fix reax/c/species without " if (reaxc == NULL) error->all(FLERR,"Cannot use fix reax/c/species without "
"pair_style reax/c"); "pair_style reax/c");