From cbeba2fa25152b01ed1bcdc765ada986eda4593f Mon Sep 17 00:00:00 2001 From: Donatas Surblys Date: Tue, 8 Oct 2019 15:41:13 +0900 Subject: [PATCH] add a comment to bond.cpp about per-atom virial and per-atom centroid virial equivalency --- src/bond.cpp | 1 + 1 file changed, 1 insertion(+) diff --git a/src/bond.cpp b/src/bond.cpp index bb54306280..d16ce5fe0f 100644 --- a/src/bond.cpp +++ b/src/bond.cpp @@ -91,6 +91,7 @@ void Bond::ev_setup(int eflag, int vflag, int alloc) vflag_either = vflag; vflag_global = vflag % 4; + // per-atom virial and per-atom centroid virial are the same for bonds vflag_atom = vflag / 4; // reallocate per-atom arrays if necessary