From 9628ad6cafc5a73d24eb9431184860cb34b1d990 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Sun, 3 Mar 2024 12:59:17 -0500 Subject: [PATCH] recover compilation --- src/EXTRA-COMPUTE/compute_composition_atom.cpp | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/src/EXTRA-COMPUTE/compute_composition_atom.cpp b/src/EXTRA-COMPUTE/compute_composition_atom.cpp index 976718057f..d36cb96028 100644 --- a/src/EXTRA-COMPUTE/compute_composition_atom.cpp +++ b/src/EXTRA-COMPUTE/compute_composition_atom.cpp @@ -94,6 +94,7 @@ void ComputeCompositionAtom::init() "use comm_modify cutoff command"); } + int cutflag = 1; if (force->pair) { if (cutoff == 0.0) { cutoff = force->pair->cutforce; } if (cutoff <= force->pair->cutforce + skin) cutflag = 0; @@ -107,7 +108,7 @@ void ComputeCompositionAtom::init() // need an occasional full neighbor list auto req = neighbor->add_request(this, NeighConst::REQ_FULL | NeighConst::REQ_OCCASIONAL); - req->set_cutoff(cutoff); + if (cutflag) req->set_cutoff(cutoff); } /* ---------------------------------------------------------------------- */