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  1. qha_fit_Gibbs_pFvib qha_fit_Gibbs_pFvib Public

    A MATLAB script which accepts energies, frequencies, temperature, and pressure as inputs. Will compute the Gibb's free energy for each given temperature and pressure using the Quasi-harmonic approx…

    MATLAB 1

  2. pytorch_demos pytorch_demos Public

    Practice with Pytorch and sklearn

    Jupyter Notebook 1

  3. Kaggle---Housing-prices Kaggle---Housing-prices Public

    1

  4. qeTocif qeTocif Public

    A short script to transform Quantum Espresso file to Mercury-readable cif files

    Shell

  5. uspexTocif uspexTocif Public

    Transforms output files produced by USPEX to Mercury-readable cif files.

    Shell 2

  6. qha_fit_EV qha_fit_EV Public

    A MATLAB script which accepts energies, frequencies, temperature, and pressure as inputs. Will compute the Gibb's free energy for each given temperature and pressure using the Quasi-harmonic approx…

    MATLAB