From f60e7b0ad05fa270aee1ff9f116bb555d78ffefa Mon Sep 17 00:00:00 2001 From: Yi-FanLi Date: Fri, 24 Dec 2021 00:03:42 -0500 Subject: [PATCH] explicitly set neighbor request to full in compute deeptensor/atom to fix bug #1381. --- source/lmp/compute_deeptensor_atom.cpp | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/source/lmp/compute_deeptensor_atom.cpp b/source/lmp/compute_deeptensor_atom.cpp index 85f7d0a332..e29897266a 100644 --- a/source/lmp/compute_deeptensor_atom.cpp +++ b/source/lmp/compute_deeptensor_atom.cpp @@ -70,7 +70,7 @@ void ComputeDeeptensorAtom::init() neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->compute = 1; - // neighbor->requests[irequest]->full = 1; + neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->occasional = 1; }