CP2K Restart problem

stclair leili... at gmail.com
Wed Oct 31 05:57:09 CET 2012


Hi, I have a question about Ext_Restart section.

To restart a MD job, I set like below but didn't set up RESTART_VEL,  
RESTART_POS and RESTART_THERMOSTAT. In this case, what's the default values 
of these parameters? I cannot really understand what is discribed in the 
manual (a lone key work).
&EXT_RESTART
  RESTART_FILE_NAME  *.restart
 &END EXT_RESTART

Thanks.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <https://lists.cp2k.org/archives/cp2k-user/attachments/20121030/3b1745d4/attachment.html>


More information about the CP2K-user mailing list