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  1. Syntax-highlighting-for-DFT-codes Syntax-highlighting-for-DFT-codes Public

    9 2

  2. kramers-kronig-transformation kramers-kronig-transformation Public

    Calculate the real part of the dielectric function from the imaginary part for vasp users

    Python 3 3

  3. useful-scripts useful-scripts Public

    Some useful scripts for first-principles calculations.

    Python 3

  4. mlrap mlrap Public

    Forked from NianSan-H/mlrap

    Machine Learning Regression Analyse Packages

    Python