[CP2K:8949] Input file structure

[hut... at chem.uzh.ch]

Hi

you can find many documentations on 'cp2k.org',
e.g. the reference manual (description of all keywords)
https://manual.cp2k.org
and many other information and examples.

There is also minimal info on the input preprocessor.
Input is not case sensitive.
Comments are after #

regards

Juerg
--------------------------------------------------------------
Juerg Hutter                         Phone : ++41 44 635 4491
Institut für Chemie C                FAX   : ++41 44 635 6838
Universität Zürich                   E-mail: hut... at chem.uzh.ch
Winterthurerstrasse 190
CH-8057 Zürich, Switzerland
---------------------------------------------------------------

-----cp... at googlegroups.com wrote: -----To: cp2k <cp... at googlegroups.com>
From: mdsimula... at gmail.com
Sent by: cp... at googlegroups.com
Date: 04/17/2017 04:07PM
Subject: [CP2K:8949] Input file structure

Hello Users,

I am new to CP2K but very familiar with quantum chemistry and MD simulations.  I've looked through the tutorials and reference manual but I have not come across documentation for the structure of an input file.  Maybe I've overlooked it but is there documentation for the input file?  For instance, I would like to know are the input files case sensitive, how do you comment, how is the file parsed?

If there is documentation, a link to it will work...I don't mind RTFM.

Thanks 




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