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  1. XtalOpt XtalOpt Public

    Official public repository for the XtalOpt crystallographic evolutionary algorithm

    C++ 2

  2. XtalComp XtalComp Public

    Forked from alliepiper/XtalComp

    Compare two descriptions of crystal structures to see if the have the same underlying structure

    C++

  3. r-scripts r-scripts Public

    A collection of cool R scripts for visualizing mutation operators found in XtalOpt, as well as plotting data for crystal structures.

    R 1

  4. xtalopt-scripts xtalopt-scripts Public

    A collection of scripts for analyzing xtalopt test data

    Python