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@msg-byu

Materials Simulation Group at Brigham Young University

Repository for codes developed by BYU's MSG group

Popular repositories

  1. enumlib enumlib Public

    Derivative structure enumeration library

    Roff 58 34

  2. autoGR autoGR Public

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

    Mathematica 35 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 3

Repositories

Showing 10 of 14 repositories
  • 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 35 MIT 17 4 (1 issue needs help) 0 Updated Aug 12, 2024
  • enumlib Public

    Derivative structure enumeration library

    msg-byu/enumlib’s past year of commit activity
    Roff 58 MIT 34 10 (1 issue needs help) 0 Updated Aug 4, 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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