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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

Repositories

Showing 10 of 11 repositories
  • Rusty-FITPACK Public

    1D spline interpolation

    mitric-lab/Rusty-FITPACK’s past year of commit activity
    Rust 5 GPL-3.0 5 1 0 Updated Aug 21, 2024
  • python_for_chemists_ss24 Public
    mitric-lab/python_for_chemists_ss24’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Aug 14, 2024
  • FMO_LC_TDDFTB_strong_light_matter_coupling Public
    mitric-lab/FMO_LC_TDDFTB_strong_light_matter_coupling’s past year of commit activity
    0 GPL-3.0 0 0 0 Updated Jul 29, 2024
  • programming_tc_ss24 Public
    mitric-lab/programming_tc_ss24’s past year of commit activity
    Python 0 0 0 0 Updated Jul 11, 2024
  • DATA_NAMD_Ehrenfest_FMO_LC_TDDFTB Public
    mitric-lab/DATA_NAMD_Ehrenfest_FMO_LC_TDDFTB’s past year of commit activity
    0 0 0 0 Updated Apr 22, 2024
  • Data_for_Cyclobutanone Public
    mitric-lab/Data_for_Cyclobutanone’s past year of commit activity
    Python 0 GPL-3.0 0 0 0 Updated Jan 14, 2024
  • HORTENSIA_LATEST Public
    mitric-lab/HORTENSIA_LATEST’s past year of commit activity
    Python 1 MIT 0 0 0 Updated Jul 10, 2023
  • 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"

    mitric-lab/Data_for_FMO-LC-TDDFTB’s past year of commit activity
    2 GPL-3.0 0 0 0 Updated Jan 30, 2023
  • tincr Public
    mitric-lab/tincr’s past year of commit activity
    Rust 1 GPL-3.0 1 0 0 Updated Sep 27, 2022
  • QBlend Public
    mitric-lab/QBlend’s past year of commit activity
    Python 1 GPL-3.0 0 0 0 Updated Jul 31, 2021
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