[DFTB-Plus-User] molecule impacts in dftb+

Bálint Aradi balint.aradi at bccms.uni-bremen.de
Wed Sep 3 11:10:44 CEST 2008

Dear Axel Maeyens,

> As a new user of this code (formerly I used classical molecular 
> dynamics), I wonder wether it is possible to assign some initial 
> velocities to the atoms whilst using the Velocity Verlet driver in the 
> code. I would like to simulate impacts of molecules on 
> clusters/surfaces. Thanks in advance.

  It's already implemented on the stable branch, so it will become part
of the next official release. (Which is scheduled to come in a few weeks.)

  Best regards,


Dr. Bálint Aradi
Bremen Center for Computational Materials Science, University of Bremen

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