Again. round-off. You need to look at precisely which atoms get
assigned to which regions/groups and figure out which are left out.
Usually it will be some very close to a boundary, so that is the
round-off issue.
Steve
Again. round-off. You need to look at precisely which atoms get
assigned to which regions/groups and figure out which are left out.
Usually it will be some very close to a boundary, so that is the
round-off issue.
Steve