[ase-users] Ase-Gui inquiry

[Oware Sarfo, Kofi]

Dear  Hjorth,
I have installed the 3.15.0  and it does work smoothly.  Thanks for the
timely response and the information concerning the ase-gui. We used the
energy minimization tab to  get a quick pre-relaxation information about
molecules and smaller systems we intended to to study. It will be great
though if any new updates had the enabling  tool to add molecules like the
older versions. Thanks and have a great weekend.

regards
Oware

On Fri, Sep 29, 2017 at 5:46 AM, Ask Hjorth Larsen <asklarsen at gmail.com>
wrote:

> Dear Oware,
>
> 2017-09-28 18:58 GMT+02:00 Oware Sarfo, Kofi via ase-users
> <ase-users at listserv.fysik.dtu.dk>:
> > Dear Ase-users
> > I recently updated my ase-gui to the latest  version(3.14.1)  and have
> since
> > observed some notable differences compared to the older version(3.11.0).
> > Some functions like the option to add molecules unto surfaces have been
> > reduced to simply adding atoms.  Additional functions that enabled the
> > rotation of molecules and the use of Energy minimization in the
> "calculate"
> > tab are missing and disabled respectively. I 'd like to ask about why
> and
> > if these would be added in a later release of a newer version.
>
> Some things were temporarily/permanently disabled when porting the gui
> to Tkinter because it would be a lot of work - particularly the
> setting up of calculators for energy minimization and so on.
>
> The rotation function has been reintroduced (and improved, I think) in
> 3.15.0 which was released yesterday, along with Render Scene.
>
> I was thinking of enabling the "add molecule" feature, too, but did
> not get around to doing it.
>
> Anything else while we are at it?  What are the actual applications of
> energy minimization from the GUI?
>
> Best regards
> Ask
>
> >
> > regards
> > Kofi
> >
> > --
> > Kofi Oware Sarfo
> > Chemical Engineering
> > School of Chemical Biological, and Environmental Engineering
> > Oregon State University
> > Gleeson Hall, 97331
> >
> > _______________________________________________
> > ase-users mailing list
> > ase-users at listserv.fysik.dtu.dk
> > https://listserv.fysik.dtu.dk/mailman/listinfo/ase-users
>



-- 
Kofi Oware Sarfo
PhD Candidate - Chemical Engineering
School of Chemical Biological, and Environmental Engineering
Oregon State University
Gleeson Hall, 97331
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