[CP2K-user] [CP2K:20915] Impose a velocity in the Z direction on all or a single atom.

[Krack Matthias]

Hi Richard

You can either modify the atomic velocities in the &SUBSYS / &VELOCITY section of the CP2K .restart file or use the &CASCADE input section<https://manual.cp2k.org/trunk/CP2K_INPUT/MOTION/MD/CASCADE/ATOM_LIST.html>.

Best

Matthias

From: "cp2k at googlegroups.com" <cp2k at googlegroups.com> on behalf of richard <saviorzyq at gmail.com>
Reply to: "cp2k at googlegroups.com" <cp2k at googlegroups.com>
Date: Tuesday, 26 November 2024 at 10:36
To: "cp2k at googlegroups.com" <cp2k at googlegroups.com>
Subject: [CP2K:20914] Impose a velocity in the Z direction on all or a single atom.

Dear cp2k team:
    I was working to impose a velocity in the Z direction on all or a single atom.  How to set parameters in cp2k  configuration files?
    thank you very much for your help!
    Best,
    Richard



--
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<mailto:cp2k+unsubscribe at googlegroups.com>.
To view this discussion visit https://groups.google.com/d/msgid/cp2k/0fe58364-1c2c-4444-9e5d-add0ba47dd62n%40googlegroups.com<https://groups.google.com/d/msgid/cp2k/0fe58364-1c2c-4444-9e5d-add0ba47dd62n%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 visit https://groups.google.com/d/msgid/cp2k/A6A2B0B7-A518-44C0-94F3-510E52F35216%40psi.ch.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20241126/e45e8261/attachment-0001.htm>