[CP2K-user] [CP2K:21165] CP2K-NEWTONX interface

[Pavel Rukin]

Hello,

I am trying to work through CP2K-NEWTONX interface.

There is still no any manual at the NEWTONX page and only what I found is 
this in the cp2k manual:

https://manual.cp2k.org/trunk/methods/sampling/newton-x.html

The problem appears when I try to create initial conditions  

I meet the next message:

NEWTON-X/newtonx-cs/bin/run_cp2k_initcond.pl: No such file or directory


I checked the bin folder of Newton-X (nx-v2.6-b01) and didn't find this 
file. 

Only for running dynamics:
 run-cp2k.pl 
and 3 conversion scripts 
cp2k2nx

nx2cp2k

md2cp2k


Does run_cp2k_initcond.pl file exist somewhere?

Best regards,
Pavel Rukin

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