CP2K Open Source Molecular Dynamics

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dev:todo [2015/08/06 11:05] – oschuettdev:todo [2015/08/06 14:56] – oschuett
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 This is a list of nice to have features or changes in CP2K that nobody got around to do, yet ;-) This is a list of nice to have features or changes in CP2K that nobody got around to do, yet ;-)
  
-====== Input / Output ======+====== Wiki ====== 
 +  * Add support for CP2K input-files to [[http://qbnz.com/highlighter/|GeSHi]], which is what DokuWiki uses for syntax highlighting.
  
 +====== Input / Output ======
   * Refactor ''cp_output_handling.F'' such that it does not require the input_section. Instead there should be a routine to parse the input section once and store that information into a novel ''printkey_type''.   * Refactor ''cp_output_handling.F'' such that it does not require the input_section. Instead there should be a routine to parse the input section once and store that information into a novel ''printkey_type''.
   * Evolve the printkey into a real logging mechanism. If the ''WRITE'' statements were converted into functions calls, one could annotate the output in a standardized way. Such annotations would then allow for parsing the output in a generic fashion.   * Evolve the printkey into a real logging mechanism. If the ''WRITE'' statements were converted into functions calls, one could annotate the output in a standardized way. Such annotations would then allow for parsing the output in a generic fashion.
dev/todo.txt · Last modified: 2020/11/19 17:46 by tmueller