Commit 473a3ebe authored Jan 15, 2017 by Axel Kohlmeyer

fix for bug with compute rdf with pair reax/c. we must not copy a neighbor...

fix for bug with compute rdf with pair reax/c. we must not copy a neighbor list, if newton settings are not compatible

an alternate route to address this issue would be to allow an "ANY" setting for neighbor list requests and then query the neighbor list for newton setting instead of the force class.

parent 4a09399d

src/neighbor.cpp

+2 −0

Original line number	Diff line number	Diff line
		@@ -714,6 +714,8 @@ void Neighbor::init_pair()
		if (requests[i]->kokkos_host != requests[j]->kokkos_host) continue;

		if (requests[i]->ssa != requests[j]->ssa) continue;
		// newton 2 and newton 0 both are newton off
		if ((requests[i]->newton & 2) != (requests[j]->newton & 2)) continue;

		if (requests[i]->half && requests[j]->pair &&
		!requests[j]->skip && requests[j]->half && !requests[j]->copy)

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