[DFTB-Plus-User] PLUMED

Bálint Aradi aradi at uni-bremen.de
Tue Jan 2 14:44:40 CET 2018


Dear Ali,

> I saw on github some commutations on the attempt of adding PLUMED 
> calculations to the molecular dynamics. However, I cannot find it in
> any version of the code. Is this feature available at all?

The feature has not been merged to the master yet. We plan it to merge
spring this year. It is still being tested, and there are a few cleanups
needed before it can be merged.

Nevertheless, Izaacs repository

https://github.com/c3091013/dftbplus

is publicly available and you may give it a try, if you wish.
Apparently, he pushed all his changes into his master branch.

Best regards,

Bálint

-- 
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: 801 bytes
Desc: OpenPGP digital signature
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20180102/f2d7873f/attachment.sig>


More information about the DFTB-Plus-User mailing list