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