[CP2K-user] [CP2K:18028] Starting CP2K Simulations with different velocities
Imon Mandal
imon.mandal at mail.huji.ac.il
Tue Nov 15 08:49:34 UTC 2022
Hello everyone,
I want to start 5 different NVT simulations from
the same staring geometry but with different velocities for the atoms. As,
the default velocity assignment involves random number generation for
velocities scaled to the temperature, I excepted the default velocity
initiation would provide me different velocities. But actually it generates
exactly same velocity for each atom if I provide same temperature and
geometry. Could you please comment why is this random velocity assignment
generate the same velocity each time or how to generate different velocity
for atoms at same temperature in CP2K?
Thanks in advance,
Imon
--
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 on the web visit https://groups.google.com/d/msgid/cp2k/093fa4eb-08de-4c39-be5b-b192cf9441d7n%40googlegroups.com.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20221115/5af362fe/attachment.htm>
More information about the CP2K-user
mailing list