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use suffix compatible pair style matching when looking for ReaxFF pair style

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This commit is contained in:
Axel Kohlmeyer
2019-06-28 05:28:54 -04:00
parent 7f342b1cd0
commit df7c56d881
2 changed files with 2 additions and 2 deletions
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2
src/QEQ/fix_qeq_shielded.cpp
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@ -80,7 +80,7 @@ void FixQEqShielded::init()
void FixQEqShielded::extract_reax()
{
Pair *pair = force->pair_match("reax/c",1);
Pair *pair = force->pair_match("^reax/c",0);
if (pair == NULL) error->all(FLERR,"No pair reax/c for fix qeq/shielded");
int tmp;
chi = (double *) pair->extract("chi",tmp);

2
src/USER-REAXC/fix_qeq_reax.cpp
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@ -124,7 +124,7 @@ FixQEqReax::FixQEqReax(LAMMPS *lmp, int narg, char **arg) :
// register with Atom class
reaxc = NULL;
reaxc = (PairReaxC *) force->pair_match("reax/c",0);
reaxc = (PairReaxC *) force->pair_match("^reax/c",0);
s_hist = t_hist = NULL;
grow_arrays(atom->nmax);