diff --git a/src/neigh_bond.cpp b/src/neigh_bond.cpp index 98622de434..4840c19639 100644 --- a/src/neigh_bond.cpp +++ b/src/neigh_bond.cpp @@ -23,6 +23,12 @@ using namespace LAMMPS_NS; #define BONDDELTA 10000 +// bondlist, anglelist, dihedrallist, improperlist +// no longer store atom->map() of the bond partners +// instead store domain->closest_image() of the bond partners of atom I +// this enables distances between list atoms to be calculated +// w/out invoking domain->minimium_image(), e.g. in bond->compute() + /* ---------------------------------------------------------------------- */ void Neighbor::bond_all()