Virtual Computational Chemistry Laboratory

Input data Output results Examples List List of key words


    This keyword controls output information flow. It consists from a numberof checkboxes:
  • display calculated vs. experimental values  request the programto return file graphics that will be used in graphical display of calculatedresults;
  • save input data in LogFile can be used to control how the inputdata were processed by program;
  • save calculated values in LogFile return table with prediction ofdata by different models;
  • save detailed statistic of analysis in LogFile is used to displaycalculated results on intermediate steps of analysis. Usually, only thefinal results are shown;
  • save statistic of input data in LogFile provides some analysis ofcorrelations of the input data entries.
  • all selects all aforementioned options

You can see an example with all these options here.

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