[CP2K-user] [CP2K:18450] GEN2-xTB Implementation/addition

[Vyacheslav Bryantsev]

Dear CP2K Developers,

It is not clear to me if GEN2-xTB is implemented in CP2K.
Would you please clarify?
The CP2K 2020 paper 
https://aip.scitation.org/doi/10.1063/5.0007045
suggest it was implemented, but I do not find information in the Manual how 
to setup such calculations.

Thank you,
Slava

On Tuesday, June 28, 2022 at 6:05:55 PM UTC-4 Anna Hehn wrote:

> Dear Joe,
>
> others already asked if there are plans to add GFN2-xTB in CP2K, referring 
> to own intentions to go for the implementation. 
> I am not up to date with the current status, but if you would also like to 
> implement GFN2-xTB, I can give you the contact details so that you can get 
> in touch and communicate.
>
> Best regards,
>
> Anna
>
> Am Mo., 27. Juni 2022 um 18:50 Uhr schrieb mdsimula... at gmail.com <
> mdsimula... at gmail.com>:
>
>> Hello,
>>
>> Is there any plans to add GEN2-xTB to CP2K?
>>
>> https://pubs.acs.org/doi/10.1021/acs.jctc.8b01176
>>
>> Thanks,
>> Joe
>>
>> -- 
>> You received this message because you are subscribed to the Google Groups 
>> "cp2k" group.
>> To unsubscribe from this group and stop receiving emails from it, send an 
>> email to cp2k+uns... at googlegroups.com.
>> To view this discussion on the web visit 
>> https://groups.google.com/d/msgid/cp2k/053e558f-df55-41dd-b504-6d186d6ea65bn%40googlegroups.com 
>> <https://groups.google.com/d/msgid/cp2k/053e558f-df55-41dd-b504-6d186d6ea65bn%40googlegroups.com?utm_medium=email&utm_source=footer>
>> .
>>
>

-- 
You received this message because you are subscribed to the Google Groups "cp2k" group.
To unsubscribe from this group and stop receiving emails from it, send an email to cp2k+unsubscribe at googlegroups.com.
To view this discussion on the web visit https://groups.google.com/d/msgid/cp2k/1edf26ef-28a9-41b5-85d2-8831f25d87e2n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20230215/af308d59/attachment.htm>