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

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sjplimp
2013-11-15 21:59:29 +00:00
parent 010c9953c3
commit 54f2a2ae4b
1 changed files with 3 additions and 0 deletions
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src/USER-REAXC/fix_qeq_reax.cpp
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@ -318,6 +318,9 @@ void FixQEqReax::init()
{ {
if (!atom->q_flag) error->all(FLERR,"Fix qeq/reax requires atom attribute q"); 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 // need a half neighbor list w/ Newton off and ghost neighbors
// built whenever re-neighboring occurs // built whenever re-neighboring occurs