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dev:todo [2015/08/06 14:56] oschuettdev:todo [2015/08/10 15:11] tmueller
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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 ;-)
 +
 +Some of them may be suitable for one or more [[https://developers.google.com/open-source/gsoc/|Google Summer of Code]] projects.
  
 ====== Wiki ====== ====== Wiki ======
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   * 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.
   * Remove the ''cp_error_type'' <del>and the 'pseudo exception handling' code like ''IF (.NOT.failure)''</del>. These constructs clutter the code without providing any useful functionality. The side-feature of the error_type to carry a reference to a ''cp_logger_type'' is sparsely used. It can be completely replaced by the ''add/rm_default_logger'' mechanism.   * Remove the ''cp_error_type'' <del>and the 'pseudo exception handling' code like ''IF (.NOT.failure)''</del>. These constructs clutter the code without providing any useful functionality. The side-feature of the error_type to carry a reference to a ''cp_logger_type'' is sparsely used. It can be completely replaced by the ''add/rm_default_logger'' mechanism.
 +
 +====== Missing features ======
 +
 +  * Cut-off auto-calibration (Is it possible to provide good cut-off default values based on basis sets and desired precision?)
  
 ====== Unit-Tests ====== ====== Unit-Tests ======
dev/todo.txt · Last modified: 2020/11/19 17:46 by tmueller