On Tue, Aug 7, 2012 at 10:32 AM, Vlad Cojocaru <
vlad.cojocaru.mpi-muenster.mpg.de> wrote:
> No Jason, I don't get this warning because I get the error and the
> program crashes beforehand ...
>
But that warning should be emitted before the aaradi subroutine is called
(since that's where radiopt is overwritten with inp=2). But perhaps I'm
missing something, since I'm not an expert with the PBSA code.
All the best,
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Tue Aug 07 2012 - 08:00:04 PDT
