From 07239290ec1cfa1b954ff8166fe7694ebc9b4ea1 Mon Sep 17 00:00:00 2001 From: sjplimp Date: Tue, 31 Mar 2015 21:44:24 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@13347 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/molecule.cpp | 3 ++- 1 file changed, 2 insertions(+), 1 deletion(-) diff --git a/src/molecule.cpp b/src/molecule.cpp index b7c9984892..6ebb9e3825 100644 --- a/src/molecule.cpp +++ b/src/molecule.cpp @@ -154,7 +154,8 @@ void Molecule::compute_mass() /* ---------------------------------------------------------------------- compute com = center of mass of molecule could have been set by user, otherwise calculate it - NOTE: account for finite size particles? + NOTE: does not account for finite size particles + user should specify COM if wants that effect also compute: dxcom = displacement of each atom from COM comatom = which atom (1-Natom) is nearest the COM