git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11018 f3b2605a-c512-4ea7-a41b-209d697bcdaa

2013-11-15 21:59:29 +00:00
parent 010c9953c3
commit 54f2a2ae4b
1 changed files with 3 additions and 0 deletions
--- a/src/USER-REAXC/fix_qeq_reax.cpp
+++ b/src/USER-REAXC/fix_qeq_reax.cpp
@ -318,6 +318,9 @@ void FixQEqReax::init()
 {
  if (!atom->q_flag) error->all(FLERR,"Fix qeq/reax requires atom attribute q");

+  if (!force->pair_match("reax/c",1))
+    error->all(FLERR,"Must use pair_style reax/c with fix qeq/reax");
+
  // need a half neighbor list w/ Newton off and ghost neighbors
  // built whenever re-neighboring occurs