[DFTB-Plus-User] conda version of DFTB+

[Bálint Aradi]

Dear Gergely,

Yes, one of our developers created a conda-feedstock quite recently, so
it is not really documented yet. As for your questions:

* Yes, it is the official DFTB+ version.

* The dftbplus-python is just a Python API from which you can directly
access the functonality of the DFTB+ library. This is part of the normal
DFTB+ release, it just was split by convenience into a separate
conda-package.

Best regards,

Bálint


On 02.11.20 12:21, juhasz.g.aa wrote:
> Dear DFTB+ team,
> In a previous message Balint has mentioned that DFTB+ has a (offical?) conda version, too.
> I must have been missed something, but I have found no mention neither in the documentation nor in the https://dftbplus.org/ or the GitHub page, i would like to confirm some detail:
> * Is the version at conda-forge / packages / dftbplus (20.1) and dftbplus-python an officially supported version of DFTB+? 
> * Is this version contain some features that can be called as python or is it just the same command line program with the convenience of version control? 
> Thank you for your kind help in advance.
> Best, 
> Gergely Juhasz
> Tokyo Institute of Technology
> _______________________________________________
> DFTB-Plus-User mailing list
> DFTB-Plus-User at mailman.zfn.uni-bremen.de
> https://mailman.zfn.uni-bremen.de/cgi-bin/mailman/listinfo/dftb-plus-user
> 


-- 
Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen
http://www.bccms.uni-bremen.de/cms/people/b-aradi/


-------------- next part --------------
A non-text attachment was scrubbed...
Name: signature.asc
Type: application/pgp-signature
Size: 833 bytes
Desc: OpenPGP digital signature
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20201103/d9bde872/attachment.sig>