[ase-users] Ase-Gui inquiry

[Ask Hjorth Larsen]

Dear Oware,

The development version now offers adding molecules with Ctrl+A.

Best regards
Ask

2017-10-01 8:16 GMT+02:00 Oware Sarfo, Kofi <owarek at oregonstate.edu>:
> 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