« first day (4566 days earlier)      last day (216 days later) » 

b3m2a1
b3m2a1
19:09
@JasonB. what are you using for point group symmetry calculations? I'd be interested to see a reference implementation since I've written a few imps. myself and they were never as simple as I'd like
b3m2a1
b3m2a1
19:21
Nevermind, from spelunking it looks like you're calling into J.R.'s WebMO stuff and I know his implementation
Jason B.
Jason B.
19:35
for the record: doi.org/10.1002/jcc.22995
Yeah, the symmetrizer code works nicely for our purposes
Bob Nachbar wrote a separate implementation for finding point groups here PointGroupSymbol

« first day (4566 days earlier)      last day (216 days later) »