Re: [Jmol-developers] Gaussian formatted checkpoint support?

[Robert H. <ha...@st...>]

(I will need both the FCHK file and the  cooresponding Gaussian output
with GFPRINT option)


On Thu, Jul 11, 2013 at 11:07 PM, Robert Hanson <ha...@st...> wrote:

> possibly. I would need some examples.
>
>
> On Thu, Jul 11, 2013 at 10:04 PM, Susi Lehtola <
> jus...@fe...> wrote:
>
>> Hi,
>>
>>
>> to my understanding JMol has the capability for orbital plots, but it
>> seems the program does not support the Gaussian formatted checkpoint
>> file format, where the basis set, electron density and molecular
>> orbitals are readily available in machine readable ASCII format.
>>
>> Could this functionality be added?
>> --
>> Susi Lehtola
>> Fedora Project Contributor
>> jus...@fe...
>>
>>
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>
>
>
> --
> Robert M. Hanson
> Larson-Anderson Professor 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
>
>


-- 
Robert M. Hanson
Larson-Anderson Professor 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