Colvar output file in extended Lagrange metadynamics

stclair leili... at
Sun Jul 9 20:31:43 UTC 2017

Dear CP2K Developer,

I am trying to understand the Colvar output file in extended Lagrange 

I quickly went through the source code. It looks that the 2nd and the 3rd 
column is corresponding to cv%ss0 and cv%ss, respectively.
Deos 'ss0' represents auxiliary variable corresponding to friction particle 
but ss is instant value of CV variable?

I will appreciate for your answer.

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <>

More information about the CP2K-user mailing list