From 0ece11c491043c79aee34804dc0f02489c8e10d5 Mon Sep 17 00:00:00 2001 From: Steve Plimpton Date: Thu, 21 Apr 2022 15:19:04 -0600 Subject: [PATCH] add a code comment --- src/fix_group.cpp | 8 +++++--- 1 file changed, 5 insertions(+), 3 deletions(-) diff --git a/src/fix_group.cpp b/src/fix_group.cpp index 73143b2f4f..112776251a 100644 --- a/src/fix_group.cpp +++ b/src/fix_group.cpp @@ -181,9 +181,11 @@ void FixGroup::set_group() int nlocal = atom->nlocal; // invoke atom-style variable if defined - // this is for any compute to check if it needs to - // operate differently due to invocation this early in timestep - // e.g. perform ghost comm update due to atoms having just moved + // NOTE: after variable invocation could reset invoked computes to not-invoked + // this would avoid an issue where other post-force fixes + // change the compute result since it will not be re-invoked at end-of-step, + // e.g. if compute pe/atom includes pe contributions from fixes + double *var = nullptr; int *ivector = nullptr;