----- Forwarded message from Holger Gohlke <gohlke.uni-duesseldorf.de> -----
> >
> > 1. Many of the "decomposition" tests are failing. Is this because some
> > radii were changed, or because some algorithm was changed? If there
> > is anyone who uses this stuff and can tell what is going on, that would
> > help a lot.
>
> We saw this as well when we wanted to check in final new .save files
> for our examples. The reason must be within sander and was probably
> introduced between 13.02.2012 and 28.02.2012. What is troublesome is
> that the sum of the internal energies from the decomp. analysis is not
> equal to the sum of these energies from sander.out anymore.
>
> Could anybody point us to an entry point for where things may have gone wrong?
>
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Received on Thu Mar 01 2012 - 08:00:03 PST
