From dd44189d1ff3947f67e006b80dcd39b9b629ff04 Mon Sep 17 00:00:00 2001
From: Axel Kohlmeyer <akohlmey@gmail.com>
Date: Sat, 10 Jun 2017 04:35:11 -0400
Subject: [PATCH] fix bug in compute orientorder/atom argument parsing
---
src/compute_orientorder_atom.cpp | 33 ++++++++++++++++----------------
1 file changed, 16 insertions(+), 17 deletions(-)
diff --git a/src/compute_orientorder_atom.cpp b/src/compute_orientorder_atom.cpp
index 43f13ecc32..90e2830e39 100644
--- a/src/compute_orientorder_atom.cpp
+++ b/src/compute_orientorder_atom.cpp
@@ -102,23 +102,22 @@ ComputeOrientOrderAtom::ComputeOrientOrderAtom(LAMMPS *lmp, int narg, char **arg
if (qlist[iw] > qmax) qmax = qlist[iw];
}
iarg += nqlist;
- if (strcmp(arg[iarg],"components") == 0) {
- qlcompflag = 1;
- if (iarg+2 > narg)
- error->all(FLERR,"Illegal compute orientorder/atom command");
- qlcomp = force->numeric(FLERR,arg[iarg+1]);
- if (qlcomp <= 0)
- error->all(FLERR,"Illegal compute orientorder/atom command");
- iqlcomp = -1;
- for (int iw = 0; iw < nqlist; iw++)
- if (qlcomp == qlist[iw]) {
- iqlcomp = iw;
- break;
- }
- if (iqlcomp < 0)
- error->all(FLERR,"Illegal compute orientorder/atom command");
- iarg += 2;
- }
+ } else if (strcmp(arg[iarg],"components") == 0) {
+ qlcompflag = 1;
+ if (iarg+2 > narg)
+ error->all(FLERR,"Illegal compute orientorder/atom command");
+ qlcomp = force->numeric(FLERR,arg[iarg+1]);
+ if (qlcomp <= 0)
+ error->all(FLERR,"Illegal compute orientorder/atom command");
+ iqlcomp = -1;
+ for (int iw = 0; iw < nqlist; iw++)
+ if (qlcomp == qlist[iw]) {
+ iqlcomp = iw;
+ break;
+ }
+ if (iqlcomp < 0)
+ error->all(FLERR,"Illegal compute orientorder/atom command");
+ iarg += 2;
} else if (strcmp(arg[iarg],"cutoff") == 0) {
if (iarg+2 > narg)
error->all(FLERR,"Illegal compute orientorder/atom command");
--
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