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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@8356 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2012-06-20 15:49:21 +00:00
parent f3eb64fd0f
commit 69f5fbf421
6 changed files with 12 additions and 42 deletions
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8
src/USER-REAXC/fix_qeq_reax.cpp
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@ -288,18 +288,12 @@ void FixQEqReax::init()
{
if (!atom->q_flag) error->all(FLERR,"Fix qeq/reax requires atom attribute q");
// need a half neighbor list w/ Newton off
// need a half neighbor list w/ Newton off and ghost neighbors
// built whenever re-neighboring occurs
int irequest = neighbor->request(this);
neighbor->requests[irequest]->pair = 0;
neighbor->requests[irequest]->fix = 1;
// Ray
//neighbor->requests[irequest]->half = 0;
//neighbor->requests[irequest]->full = 1;
//neighbor->requests[irequest]->ghost = 2; // 2 for newton off
neighbor->requests[irequest]->newton = 2;
neighbor->requests[irequest]->ghost = 1;