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  • Emacs Public

    My Emacs configurations

    Emacs Lisp Updated Jul 12, 2016

  • StructOpt Public

    Forked from uw-cmg/StructOpt
    Python Updated Jul 8, 2016

  • mast_structopt Public

    ASE wrapper for running mast_structopt jobs

    Python Updated Mar 23, 2016

  • ase_addons Public

    Contains bulk structures, surface slabs, and convenience functions to use with the atomic simulation environment (ASE)

    Python 3 2 Updated Apr 6, 2015

  • jasp Public

    Forked from jkitchin/jasp

    python enhancements of ase.calculators.vasp

    Python Other Updated Mar 31, 2015

  • espresso Public

    ASE interface for quantum espresso

    Python 8 7 Updated Jan 9, 2015

  • rutile-OER Public

    Supporting information data files for manuscript "A linear response, DFT+U study of trends in the oxygen evolution activity of transition metal rutile dioxides" by Zhongnan Xu, Jan Rossmeisl, John …

    2 2 Creative Commons Attribution 4.0 International Updated Nov 10, 2014

  • ase-ddec-jasp Public

    Package that connects density derived electronic charges (DDEC) with VASP calculations to be used in atomic simulation environment (ASE)

    Python 5 1 Updated Nov 12, 2012

  • zx-dft-course Public

    This includes work done for 06-640 molecular simulation class for the fall 2012 semester

    Updated Oct 17, 2012