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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 63 35

  2. autoGR autoGR Public

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

    Mathematica 36 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

Repositories

Showing 10 of 14 repositories
  • enumlib Public

    Derivative structure enumeration library

    msg-byu/enumlib’s past year of commit activity
    Roff 63 MIT 35 10 (1 issue needs help) 0 Updated Nov 16, 2024
  • autoGR Public

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

    msg-byu/autoGR’s past year of commit activity
    Mathematica 36 MIT 17 4 (1 issue needs help) 0 Updated Aug 12, 2024
  • ClusterEnumeration.jl Public

    Enumerate clusters for alloy CE models and build correlation matrices for fitting tests

    msg-byu/ClusterEnumeration.jl’s past year of commit activity
    Jupyter Notebook 3 MIT 0 0 0 Updated Feb 20, 2024
  • ML-for-CurieTemp-Predictions Public

    Code for reproducing all the results in [give ref here]

    msg-byu/ML-for-CurieTemp-Predictions’s past year of commit activity
    Python 1 MIT 0 0 0 Updated Jun 14, 2023
  • pyrelate Public

    PYthon REpresentation and Learning of ATomic Environments

    msg-byu/pyrelate’s past year of commit activity
    Python 1 MIT 2 2 8 Updated Feb 11, 2023
  • symlib Public

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

    msg-byu/symlib’s past year of commit activity
    Roff 12 MIT 15 3 0 Updated Dec 30, 2022
  • kgridGen Public

    Generator for Generalized Regular k-point grids

    msg-byu/kgridGen’s past year of commit activity
    Roff 6 6 5 (1 issue needs help) 0 Updated Oct 16, 2022
  • ClusterGeneration.jl Public

    Generate clusters for UNCLE directly from the input structures that give a full-rank correlation matrix

    msg-byu/ClusterGeneration.jl’s past year of commit activity
    Julia 0 0 0 0 Updated Jul 14, 2022
  • HfNiTi-genetic Public

    A genetic algorithm to find the stable configuration of HfNiTi

    msg-byu/HfNiTi-genetic’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Apr 17, 2022
  • getting-started Public

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

    msg-byu/getting-started’s past year of commit activity
    Python 6 13 4 1 Updated Aug 10, 2021
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