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    27 repositories

    • tce-lib

      Public
      tensor cluster expansion
      Python
      •
      MIT License
      •0•1•1•0•Updated Aug 26, 2025Aug 26, 2025

    • palmetto-gentoo-overlay

      Public
      A gentoo overlay meant for use within a prefix in the palmetto cluster
      Shell
      •0•0•0•0•Updated Aug 13, 2025Aug 13, 2025

    • alloy-barriers

      Public
      migration barriers in alloy using ASE and CI-NEB
      Python
      •
      MIT License
      •0•0•0•0•Updated Jul 17, 2025Jul 17, 2025

    • Palmetto-Apptainer-Builds

      Public
      Shell
      •0•0•0•0•Updated Jun 10, 2025Jun 10, 2025

    • vibrational-entropy

      Public
      Python
      •
      MIT License
      •0•0•1•0•Updated Jun 2, 2025Jun 2, 2025

    • chemical_potential

      Public
      LAMMPS interface to compute and fit chemical potentials in a solid
      Python
      •
      MIT License
      •2•1•3•0•Updated Mar 31, 2025Mar 31, 2025

    • cowley_sro_parameters

      Public
      OVITO modifier to calculate the Cowley SRO parameter in a molecular dynamics run
      Python
      •
      MIT License
      •0•1•1•0•Updated Mar 31, 2025Mar 31, 2025

    • thermal_vacancies

      Public
      Python
      •
      MIT License
      •0•0•2•0•Updated Mar 31, 2025Mar 31, 2025

    • MUEXLY.github.io

      Public
      Our website
      Python
      •
      MIT License
      •1•2•4•0•Updated Mar 29, 2025Mar 29, 2025

    • orthogonal_sampling_kmc

      Public
      Jupyter Notebook
      •
      BSD 3-Clause "New" or "Revised" License
      •0•0•0•0•Updated Mar 5, 2025Mar 5, 2025

    • partial-separation-distance

      Public
      Calculate the separation distance of a partial dislocation pair
      Python
      •0•0•0•0•Updated Dec 9, 2024Dec 9, 2024

    • defect_diffusivities

      Public
      Python
      •
      MIT License
      •0•1•0•0•Updated Oct 15, 2024Oct 15, 2024

    • add_pd

      Public
      Python
      •
      MIT License
      •0•0•0•0•Updated Oct 15, 2024Oct 15, 2024

    • extract-lattice-parameter

      Public
      Shell
      •0•0•0•0•Updated Oct 14, 2024Oct 14, 2024

    • Nimislide-template

      Public
      HTML
      •0•0•0•0•Updated Sep 26, 2024Sep 26, 2024

    • DD_parameter_study

      Public
      Python
      •0•0•0•0•Updated Jun 26, 2024Jun 26, 2024

    • precipitates

      Public
      Repository for computing precipitate sizes in a molecular dynamics run
      Python
      •
      MIT License
      •0•0•0•0•Updated Jun 25, 2024Jun 25, 2024

    • compileDDD

      Public
      0•0•0•0•Updated Jun 21, 2024Jun 21, 2024

    • beamer_template

      Public
      TeX
      •0•0•0•0•Updated Jun 7, 2024Jun 7, 2024

    • pbc_distance_calculator

      Public
      Python
      •
      MIT License
      •1•0•2•0•Updated Jun 3, 2024Jun 3, 2024

    • transport_coefficients

      Public
      Python
      •
      MIT License
      •0•0•0•0•Updated May 27, 2024May 27, 2024

    • useful_commands

      Public
      List of useful shell commands
      0•0•0•0•Updated Apr 30, 2024Apr 30, 2024

    • larkinLength

      Public
      A collection of scripts designed to automate larkin length determination in MoDELib
      Python
      •0•1•0•0•Updated Apr 3, 2024Apr 3, 2024

    • FFTW_correlation

      Public
      Calculate the spatial correlation using FFTW library
      Makefile
      •0•0•0•0•Updated Apr 1, 2024Apr 1, 2024

    • apdap

      Public
      OVITO-based CLI to add a point defect as a particle in an MD run
      Python
      •
      MIT License
      •0•0•1•0•Updated Mar 26, 2024Mar 26, 2024

    • .github

      Public
      0•0•0•0•Updated Mar 21, 2024Mar 21, 2024

    • arrhenius_rate

      Public
      Shell script that interfaces with LAMMPS to calculate the Vineyard prefactor of a rare event process
      Shell
      •
      MIT License
      •0•0•2•0•Updated Mar 12, 2024Mar 12, 2024