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  1. aseneb aseneb Public

    GUI tool to run NEB calculation using ASE and Gaussian16 or XTB binary.

    Python

  2. xtbc3d xtbc3d Public

    Python

  3. xtbscan xtbscan Public

    Windows GUI for running PES scan by xTB

    Python

  4. xtboptts xtboptts Public

    GUI tool for transition state (saddle point) optimization wiht XTB and geomeTRIC.

    Python

  5. gauprep gauprep Public

    GUI tool to generate various Gaussian Job files

    Python

  6. grrm2xtb_cpp grrm2xtb_cpp Public

    Direct Interface to XTB and GRRM

    DIGITAL Command Language