[CP2K:5094] FES

[Teodoro Laino]

On 24 Mar 2014, at 00:00, Ole Schütt <o... at schuett.name> wrote:

> 
> 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.
> 

Not entirely true - using the SVN version, one can still compile FES, by typing 

> make fes

alternatively also 

> make graph

works..

Teo


> 
> -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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>> --
>> -=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
>>   Ari Paavo Seitsonen / Ari.P.S... at iki.fi /
>> http://www.iki.fi/~apsi/ [3]
>>   Institut für Chemie der Universität Zürich
>>   Tel: +41 44 63 55 44 97  /  Mobile: +41 79 71 90 935
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