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Pinned

  1. deltaspin deltaspin Public

    A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP

    Shell 22 5

  2. BayesianOpt4dftu BayesianOpt4dftu Public

    Bayesian Optimization Toolkit for Hubbard U Parameters in DFT+U (Refactored, Enhanced, & Active Version)

    Python 1 1

  3. vasp.vim vasp.vim Public

    A enhanced syntax highlighter for VASP based on alejandrogallo/vasp.vim

    Vim Script 3 2

  4. html2pdf_bookdown html2pdf_bookdown Public

    An automated HTML to PDF converter for eBooks created with Bookdown

    Python 5 3

  5. spinforce spinforce Public

    A spin force calculator using the DFT code SPHInX

    Python 2 1

  6. deepdft deepdft Public

    A SVT-featured deep learning DFT surrogate model (bachelor dessertation)

    Jupyter Notebook 3 1