12 Jul
2012
12 Jul
'12
3:50 p.m.
On Thu, Jul 12, 2012 at 8:45 AM, Petrus Zwart
In general, I use a 'map_to_asu' whenever possible, this avoids some problems you illustrate, but isn't elegant.
+1 This is pretty essential for much of our code, assuming you're working with merged/symmetry-unique data. -Nat