The Jmol log.....
Not sure of your context. In Eclipse you can start Jmol with the -o flag to
output to the Eclipse console; otherwise it is to sysout, in the window in
which Eclipse was started.
On Wed, Jul 8, 2015 at 10:28 AM, Latévi Max LAWSON DAKU <max.law...@unige.ch
> wrote:
>
>
> On 07. 07. 15 20:59, Robert Hanson wrote:
> > MO 24 in Co_ just has a very tight cutoff. So the default 0.05 is too
> > large. You can see a bit of it with 0.03.
> >
> > I'm not seeing the problem with CuZ. Maybe the same. Also, since Jmol
> does
> > not include G orbitals, anything that is pure G will not show up. But
> then
> > you would see the integrated density far from 1.000. To see that issue
> >
> > set debug
> >
> > prior to the MO command, then inspect the Java console:
> >
> >
>
> Hi, Bob !
>
> Many thanks for your kind reply and your explanation. There is no bug
> indeed. I was confused by the fact that no information are being
> displayed. It is now clear that I should pay attention to the value of
> the cutoff.
>
> A side question: I could enable the display of the java console and
> called it from a terminal with the jconsole command. Then I connected to
> the jmol 'instance': various tabs are shown (Overview, Memory, Threads,
> Classes, VM Summary, MBeans), but I cannot locate the place where the
> jmol log goes. Could you please tell me where to look at?
>
> Again many thanks for your help and time :)
>
> All the best,
> Max
>
>
>
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--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
Chair, Department of Chemistry
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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