QEq does not require ghosts in the neighbor list
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@ -115,7 +115,6 @@ void FixACKS2ReaxFFKokkos<DeviceType>::init()
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neighbor->requests[irequest]->pair = 0;
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neighbor->requests[irequest]->full = 0;
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neighbor->requests[irequest]->half = 1;
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neighbor->requests[irequest]->ghost = 1;
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}
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int ntypes = atom->ntypes;
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@ -117,7 +117,6 @@ void FixQEqReaxFFKokkos<DeviceType>::init()
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neighbor->requests[irequest]->pair = 0;
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neighbor->requests[irequest]->full = 0;
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neighbor->requests[irequest]->half = 1;
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neighbor->requests[irequest]->ghost = 1;
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}
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int ntypes = atom->ntypes;
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@ -416,14 +416,13 @@ void FixQEqReaxFF::init()
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"boundary when using charge equilibration with ReaxFF.");
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}
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// we need a half neighbor list w/ Newton off and ghost neighbors
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// we need a half neighbor list w/ Newton off
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// built whenever re-neighboring occurs
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int irequest = neighbor->request(this,instance_me);
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neighbor->requests[irequest]->pair = 0;
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neighbor->requests[irequest]->fix = 1;
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neighbor->requests[irequest]->newton = 2;
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neighbor->requests[irequest]->ghost = 1;
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init_shielding();
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init_taper();
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