Hi Nuno (and Karol),
It's tough to find time to get a solid release of QMForge, but it's on
my list of things to do.
I have a very rough version that is built upon a relatively new
version of cclib. I haven't worked out all the bugs so there might be
a random crash here and there, and you should make sure that it
doesn't accidentally duplicate or remove atomic basis functions added
to fragments.
You can find a windows binary at:
http://faculty.washington.edu/adamlt82/QMForge-11Mar27.zip.
I hope that helps, and please let me know if you run into any problems.
Cheers,
Adam
On Sun, Jul 17, 2011 at 2:16 PM, Karol M. Langner
<kar...@gm...> wrote:
> On Sun, Jul 17, 2011 at 10:44:46PM +0200, Nuno A. G. Bandeira wrote:
>> On 17-07-2011 21:39, Karol M. Langner wrote:
>> > You will have to wait for Adam's input concerning that, as he is the
>> > sole author. Is there any particular functionality in QMForge that you
>> > need and can't find elsewhere? Cheers, Karol
>>
>> Well, yes! A GUI that allows to create fragments on the spot is a lot
>> better and more immediate than writing input scripts don't you think ?
>
> Perhaps, although I do not understand fully your needs. Are you dividing
> your molecules into smaller parts?
>
> In any case I did not mean to be sarcastic. I do not know QMForge too well
> and haven't used it myself. If you describe what you need to do exactly,
> we might be able to propose a different tool/GUI.
>
> Best regards,
> Karol
>
> --
> written by Karol Langner
> Sun Jul 17 23:12:58 CEST 2011
>
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