[DFTB-Plus-User] append geometries

[Benjamin Hourahine]

Hello Morteza,

Do you mean for the new geometry drivers and which code version are you testing?

GeometryOptimization had this option recently added:

https://github.com/dftbplus/dftbplus/pull/1024

Regards

Ben

       Dr. B. Hourahine, SUPA, Department of Physics,
     University of Strathclyde, John Anderson Building,
             107 Rottenrow, Glasgow G4 0NG, UK.
     +44 141 548 2325, benjamin.hourahine at strath.ac.uk

2013/4 THE Awards Entrepreneurial University of the Year
       2012/13 THE Awards UK University of the Year

    The University of Strathclyde is a charitable body,
         registered in Scotland, number SC015263
________________________________
From: DFTB-Plus-User <dftb-plus-user-bounces at mailman.zfn.uni-bremen.de> on behalf of Morteza Chehel Amirani <morteza.amirani at gmail.com>
Sent: 21 May 2022 14:45
To: User list for DFTB+ related questions <DFTB-Plus-User at mailman.zfn.uni-bremen.de>
Subject: [DFTB-Plus-User] append geometries

CAUTION: This email originated outside the University. Check before clicking links or attachments.
Hello all,

It seems the Append Geometries feature is not implemented in the new version of dftb+. Is there any way to save the geometries during the geometry optimization task?

Sincerely,
Morteza
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://mailman.zfn.uni-bremen.de/pipermail/dftb-plus-user/attachments/20220521/a99ac4b7/attachment.htm>