actually there are two sets of orbitals in two different models in both of
your example files. You will see it when you do the load in the revised
version, where there is a new report when you load a model with molecular
orbitals:
load example1.log
263 models
491 molecular orbitals in model 1.2
150 molecular orbitals in model 1.156
load example2.log
119 models
423 molecular orbitals in model 1.2
136 molecular orbitals in model 1.36
Bob
On Mon, Oct 4, 2010 at 7:53 PM, Marco Zimmer-De Iuliis
<marcoz...@gmail.com>wrote:
> Hi Bob,
>
> If I use ChemCraft (which is another output visualization program that we
> use in our lab), then it shows that the log file has a total of 150
> molecular orbitals. I realize this is a very large number of MOs, but it is
> a rather large molecule.
>
> I don't know if that helps, but I greatly appreciate your time on this.
>
> All the best,
> Marco
>
>
> On Mon, Oct 4, 2010 at 5:09 PM, Robert Hanson <hans...@stolaf.edu> wrote:
>
>> 491 molecular orbitals read in model 2
>> 150 molecular orbitals read in model 156
>>
>> Not sure what that's all about, but you probably do.
>> This is in the Java console. I'm thinking I should have it sent to the
>> standard console as well. People need to see this.
>>
>> Bob
>>
>>
>>
>> On Mon, Oct 4, 2010 at 12:19 PM, Marco Zimmer-De Iuliis <
>> marcoz...@gmail.com> wrote:
>>
>>> Hello all,
>>>
>>> As far as I understand it, Jmol should be able to display molecular
>>> orbitals from the output of a GAMESS(US) calculation (.log file).
>>>
>>> I have tried a number of different calculations (DFT geometry
>>> optimizations, energy caluclations, freuqency analysis) and when I open
>>> these files in Jmol, the "Molecular Orbitals" part of the menu is greyed
>>> out.
>>>
>>> I also took the examples from the Jmol wiki page and tried those and I
>>> get the same thing.
>>>
>>> How can I visualize molecular obritals? Why is this section greyed out?
>>> I am using Jmol 12.0.10.
>>>
>>> Thanks,
>>> Marco
>>>
>>>
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>>
>>
>> --
>> Robert M. Hanson
>> Professor of Chemistry
>> St. Olaf College
>> 1520 St. Olaf Ave.
>> Northfield, MN 55057
>> http://www.stolaf.edu/people/hansonr
>> phone: 507-786-3107
>>
>>
>> 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
>>
>>
>> ------------------------------------------------------------------------------
>> Virtualization is moving to the mainstream and overtaking non-virtualized
>> environment for deploying applications. Does it make network security
>> easier or more difficult to achieve? Read this whitepaper to separate the
>> two and get a better understanding.
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>> _______________________________________________
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>>
>
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--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
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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experiences on the web. Be a part of the beta today.
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