send me the offending file, please. I was sure I fixed that.
On Mon, Nov 26, 2012 at 5:34 AM, Simone Sturniolo <simonesturni...@gmail.com
> wrote:
> Hi,
>
> I tried downloading the new 13.1.9 release from Sourceforge, and even
> compiling the source code for 13.1.10_dev, but I still have bugs with
> ellipsoids. Now, instead of a dot, I see a large square when I try them. It
> seems odd to me that it could be system-specific, but just to stay on the
> safe side, I'm currently running the Java SE Runtime Environment version
> 1.7.0_09 on Mageia Linux.
>
> Simone
>
>
> 2012/11/25 Robert Hanson <hans...@stolaf.edu>
>
>> Thank you, Nico, for releasing 13.0.9 and 13.1.9.
>>
>> The only new features in 13.1.9 involve the MO and isosurface MO
>> commands. It's an interesting idea suggested by Leonardo Jorge that
>> should have wider applications. Basically it allows one to see the
>> contribution to electron density by any subset of orbitals. Especially
>> interesting, I think, is the display for degenerate orbitals. This is
>> interesting
>> because it brings back the molecular symmetry inherent in a pair of
>> degenerate orbitals without necessarily showing the total overall electron
>> density. I added total electron density as well because that was
>> relatively easy to implement. That calculation does take some time,
>> however, since it has to calculate the electron density for each occupied
>> orbital.
>>
>> Bob
>>
>>
>> MO or (ISOSURFACE MO) DENSITY
>> -- electron density
>> -- same as MO [1] SQUARED
>> -- takes some time!
>>
>> MO HOMO|LUMO|NEXT|PREV|[c1 n2 c2 n2...] SQUARED
>> -- Squares wave functions as it combines them.
>> -- That is, displays the collective electron density (if occupied)
>> -- if [...] is not given, groups orbitals by energy
>> -- examples:
>> load c6h6.smol;mo homo squared // displays symmetric squared sum of
>> two degenerate orbitals
>> load co2.smol; mo homo squared // displays cylindrical electron
>> density
>> mo next squared // lumo, provided homo was just displayed
>>
>> bug fixes:
>>
>> bug fix: Molden reader tweaks
>> bug fix: Jmol application toolbar picking tool should not select none
>> bug fix: ellipsoid rendering fails
>> bug fix: translucent echo oddities in Jmol 13.1.8
>> bug fix: lost volume rendering in 13.1.8
>> bug fix: CASTEP density reader fails to reset origin to 0 0 0 in mapping
>> bug fix: UTF files with BOM (byte order marker) present not read correctly
>> bug fix: UTF files within GZIP or ZIP files not read correctly
>> bug fix: set picking draw no longer works in Jmol 13.0 or 13.1
>> bug fix: translucent echo backgrounds lost in 13.1.8
>> bug fix: select resno=@{n+3} fails in 12.2, 13.0, and 13.1
>> bug fix: isosurface AtomicOrbital broken in 13.1.8
>>
>>
>>
>>
>>
>>
>>
>> --
>> Robert M. Hanson
>> Larson-Anderson Professor of Chemistry
>> Chair, Chemistry Department
>> 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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>>
>
>
> --
> _______________
>
> Nuovo indirizzo e-mail:
> simonesturni...@gmail.com
>
>
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>
--
Robert M. Hanson
Larson-Anderson Professor of Chemistry
Chair, Chemistry Department
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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web console. Get in-depth insight into apps, servers, databases, vmware,
SAP, cloud infrastructure, etc. Download 30-day Free Trial.
Pricing starts from $795 for 25 servers or applications!
http://p.sf.net/sfu/zoho_dev2dev_nov
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