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@msg-byu Materials Simulation Group at Brigham Young University

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    14 repositories

    • enumlib

      Public
      Derivative structure enumeration library
      Roff
      •
      MIT License
      •35•83•10•0•Updated Nov 16, 2024Nov 16, 2024

    • autoGR

      Public
      Generating k-point grids with the best folding ratio or fewest irreducible k-points for a given density
      Mathematica
      •
      MIT License
      •17•40•4•0•Updated Aug 12, 2024Aug 12, 2024

    • ClusterEnumeration.jl

      Public
      Enumerate clusters for alloy CE models and build correlation matrices for fitting tests
      Jupyter Notebook
      •
      MIT License
      •0•3•0•0•Updated Feb 20, 2024Feb 20, 2024

    • ML-for-CurieTemp-Predictions

      Public
      Code for reproducing all the results in [give ref here]
      Python
      •
      MIT License
      •1•2•0•0•Updated Jun 14, 2023Jun 14, 2023

    • pyrelate

      Public
      PYthon REpresentation and Learning of ATomic Environments
      Python
      •
      MIT License
      •2•1•2•8•Updated Feb 11, 2023Feb 11, 2023

    • symlib

      Public
      Spacegroup finder. Includes symmetry-related routines for cluster expansion and other codes that rely on symmetries of lattices and crystals.
      Roff
      •
      MIT License
      •15•12•3•0•Updated Dec 30, 2022Dec 30, 2022

    • kgridGen

      Public
      Generator for Generalized Regular k-point grids
      Roff
      •6•6•5•0•Updated Oct 16, 2022Oct 16, 2022

    • ClusterGeneration.jl

      Public
      Generate clusters for UNCLE directly from the input structures that give a full-rank correlation matrix
      Julia
      •0•0•0•0•Updated Jul 14, 2022Jul 14, 2022

    • HfNiTi-genetic

      Public
      A genetic algorithm to find the stable configuration of HfNiTi
      Jupyter Notebook
      •0•0•0•0•Updated Apr 17, 2022Apr 17, 2022

    • getting-started

      Public
      Guide to getting started in MSG with python, travis, sphinx, github and general scientific computing.
      Python
      •13•6•4•1•Updated Aug 10, 2021Aug 10, 2021

    • bib

      Public
      Master bibliography for the Materials Simulation Group at BYU.
      TeX
      •0•0•0•0•Updated May 15, 2020May 15, 2020

    • agpd

      Public
      SOAP and MTP as Machine-learned Alloy Models Paper
      Shell
      •
      MIT License
      •4•6•0•0•Updated Jun 18, 2019Jun 18, 2019

    • KptGen

      Public
      K-point generation and symmetry folding
      MIT License
      •0•0•0•0•Updated May 26, 2017May 26, 2017

    • hullq

      Public
      Using qhull.org code to plot ternary convex hulls.
      C++
      •0•1•0•0•Updated Jul 8, 2016Jul 8, 2016
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