Input file structure
mdsimula... at gmail.com
mdsimula... at gmail.com
Mon Apr 17 14:07:46 UTC 2017
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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