RuNNer Tools

Overview

The purpose of the RuNNer tools is manifold, from manipulating structures in the input.data format, via the analysis of different properties and quantities (like the composition of data sets and plotting symmetry functions) to file conversion. For each tool there is a separate folder containing a Readme.txt file describing the purpose of the tool, its input and output as well as its usage and input flags. Often the tools are written in a rather "quick and dirty" style, so a certain amount of caution in using them is appropriate. Users should also be fully aware of the purpose of a given tool, e.g., some tools for structure manipulation are not intended to generate physically meaningful structures, but are meant to be used in extended scripts for preparing structures for visualization only.