10000 Materials Simulation Group at Brigham Young University · GitHub
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@msg-byu

Materials Simulation Group at Brigham Young University

Repository for codes developed by BYU's MSG group

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  1. enumlib enumlib Public

    Derivative structure enumeration library

    Roff 73 34

  2. autoGR autoGR Public

    Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density

    Mathematica 38 17

  3. symlib symlib Public

    Spacegroup finder. Includes symmetry-related routines for cluster expansion and other codes that rely on symmetries of lattices and crystals.

    Roff 12 15

  4. kgridGen kgridGen Public

    Generator for Generalized Regular k-point grids

    Roff 6 6

  5. getting-started getting-started Public

    Guide to getting started in MSG with python, travis, sphinx, github and general scientific computing.

    Python 6 13

  6. agpd agpd Public

    SOAP and MTP as Machine-learned Alloy Models Paper

    Shell 6 4

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