[CP2K:5093] FES

[Ole Schütt]

Hi T. Salavati fard,

> One compiles by typing "make fes" in '<cp2k-root>/makefiles'.

Actually, if you are using the latest svn version you now have to type 
"make graph", because the names of the make-targets now match the names 
of the executables. Alternatively, you can just call make without any 
targets, which will build all executables including the fes tool.


-Ole



On 2014-03-23 22:39, Ari Paavo Seitsonen wrote:
> Dear T. Salavati fard,
> 
>   In <cp2k-root>/src/metadyn_tools/, if you are using the latest
> version? It used to be in <cp2k-root>/tools/metadyn/ earlier. One
> compiles by typing "make fes" in '<cp2k-root>/makefiles'.
> 
>     Greetings from Zurich,
> 
>        apsi
> 
> 2014-03-23 21:52 GMT+01:00 T. Salavati fard
> <t.salav... at gmail.com>:
> 
>> Dear all
>> 
>> I am CPMD user. I am doing metadynamics calculations and I need to
>> reconstruct FES. I know there is a code by Teo to reconstruct free
>> energy surface using colvar and parvar files.
>> My problem is finding FES program source!! I couldn't find that code
>> to compile and try..
>> I appreciate your helps--Thanks
>> 
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