CP2K Open Source Molecular Dynamics

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exercises:2014_ethz_mmm:dye_tio

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exercise:dye_tio [2014/04/05 09:44] – oschuettexercise:dye_tio [2014/04/10 20:23] – oschuett
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 <note warning> <note warning>
-The provided [[wp>XYZ_file_format|XYZ-files]] can not be included into CP2K's input directly. You have convert them to ''.coord'' files by removing the first line, which states the number of atoms, and the following empty comment line.+The provided [[wp>XYZ_file_format|XYZ-files]] can not be included into CP2K's input directly. You have to convert them to ''.coord'' files by removing the first line, which states the number of atoms, and the following empty comment line.
 </note> </note>
  
exercises/2014_ethz_mmm/dye_tio.txt · Last modified: 2020/08/21 10:15 by 127.0.0.1