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  1. Rusty-FITPACK Rusty-FITPACK Public

    1D spline interpolation

    Rust 5 5

  2. Data_for_FMO-LC-TDDFTB Data_for_FMO-LC-TDDFTB Public

    Data files for the paper "Long-range corrected fragment molecular orbital density functional tight-binding method for excited states in large molecular systems"

    2

  3. QBlend QBlend Public

    Python 1

  4. NEB NEB Public

    Optimize a reaction path using the nudged elastic band algorithm

    Python 1 1

  5. tincr tincr Public

    Rust 1 1

  6. HORTENSIA_LATEST HORTENSIA_LATEST Public

    Python 1

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