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MSELRai

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  1. ASE-MC_ESI ASE-MC_ESI Public

    Input files for ASE-MC manuscript

    Jupyter Notebook 28 6

  2. iCoMSE-DFT-Catalysis-School iCoMSE-DFT-Catalysis-School Public

    Collection of Tutorials and Lectures from the DFT Catalysis School hosted at Mississippi State University, June 2022

    Vim Script 7 2

  3. Training Training Public

    Repository that contains introductory materials for computational chemistry research at MSU.

    Python 1

  4. iCoMSE-MDMC-School iCoMSE-MDMC-School Public

    Collection of Hands On Tutorials for the MC part of the iCoMSE MD/MC School at Oklahoma State Univ., 2022

    Jupyter Notebook 1

  5. H2-MoC-MLIP H2-MoC-MLIP Public

    Initial coordinates, example input, and scripts for adding ghost atom grids

    Python 1

  6. cp2k cp2k Public

    Forked from cp2k/cp2k

    Quantum chemistry and solid state physics software package

    Fortran

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