Firefly and PC GAMESS-related discussion club

Learn how to ask questions correctly

Alex Granovsky
gran@classic.chem.msu.su

We'll probably add a warning on this.

More globally, as the release of the Firefly version 8.0.0
is coming soon enough, it would be very helpful for us
if our users start the special thread on this forum summing
up all their requests for minor enhancements which would make
their life a bit easier. Although there is no warranty we
implement all the requests/suggestions we get, all of them will
be carefully considered at least and as much as we can will be
implemented.

Kind regards,
Alex Granovsky

On Wed Mar 30 '11 10:44am, Vyacheslav wrote
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>Yes, dear Masoud,
>it would be very useful – to add one line at the end of the out file. I knew about this joke, but I haven't done the point calculations for a long time and completely forgot about this thing...

>Vyacheslav
>**********************************************************
>
>
>
>On Tue Mar 29 '11 10:00pm, Masoud Nahali wrote
>----------------------------------------------
>>Dear Vyacheslav

>>One should examine the "SCF convergence" status before using the data; seeing the "EXECUTION OF FIREFLY TERMINATED NORMALLY" is not sufficient and safe by itself to be certain about correct completion of a task.
>>I think if Firefly writes a warning line near the end of the output file about the matter everyone (especially beginners and who has forgotten to check the SCF convergence) will experience a feeling of safety further. Certainly, Professor Granovsky knows the logic of not leaving a line there.
>>
>>
>>Best Wishes

>> Masoud
>>--------------
>>Masoud Nahali, Sharif University of Technology
>>          

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