Velocity DCD file broken

NORMAN GEIST norman.... at gmail.com
Thu Jan 21 14:41:07 CET 2016


Dear experts,

I noticed that CP2k (Version 2.6.0) will output broken DCD VELOCITY files. 
I used the following to enable
velocity output in DCD format:

&VELOCITIES
    LOG_PRINT_KEY T
    FORMAT DCD
    &EACH
      MD 10
    &END EACH
    ADD_LAST NUMERIC
 &END VELOCITIES

Cheers

Norman Geist
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20160121/7d5b14a5/attachment.html>


More information about the CP2K-user mailing list