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Popular repositories Loading

  1. Auto-Relax-DFTB-Tutorial Auto-Relax-DFTB-Tutorial Public

    This repository contains scripts written by A. Davies and T. Kelsey to automate the relaxation of structures with DFTB+.

    Shell 1

  2. DFTB-Tutorials DFTB-Tutorials Public

    Tutorials from the Oliveira group at the University of Wyoming to use DFTB+ with COFs.

    Jupyter Notebook

  3. cofs-mkrr cofs-mkrr Public

    Python