[CP2K-user] [CP2K:19217] Re: How to perform metadynamic post-processing

Marcella Iannuzzi marci.akira at gmail.com
Fri Sep 1 06:58:11 UTC 2023

Dear Yuqi Wang, 

The post processing code graph is compiled together with cp2k, and the 
executable is located in the same folder as the cp2k executable. 
A list of available arguments for running the code is provided by just 
running it without any argument. 


On Thursday, August 31, 2023 at 4:01:13 PM UTC+2 Yuqi wang wrote:

> Dear all:
> I got cp2k-HILLS.metadynLog and cp2k-COLVAR.metadynLog after performing 
> metadynamic calculations. I want to draw a 2D plot related to CV through 
> these two files. After I checked related content on the Internet, many 
> pointed to graph.popt. But I didn't find any relevant introduction in the 
> manual or official website. I would like to know where to find this part 
> and how to use this to draw 2D plots.
> Thank you for any help.
> Best,
> Yuqi Wang

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