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@HratchianGroup Hratchian Group (UC Merced)

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    7 repositories

    • ddno

      Public
      This program forms Difference Density Natural Orbitals (DDNOs) and carries out excitation/relaxation analysis.
      Fortran
      •
      Other
      •3•0•0•0•Updated Jul 19, 2026Jul 19, 2026

    • mqcPack

      Public
      The Merced Quantum Chemistry Package
      Fortran
      •
      Apache License 2.0
      •49•0•0•0•Updated Jul 14, 2026Jul 14, 2026

    • BasisSetsECPs

      Public
      Basis set and ECP files commonly used by the Hratchian Group.
      1•0•0•0•Updated Dec 1, 2025Dec 1, 2025

    • nio

      Public
      A program for carrying our Natural Ionization Orbital analysis.
      Fortran
      •
      MIT License
      •8•2•0•0•Updated Nov 17, 2025Nov 17, 2025

    • AATGaussPackage

      Public
      Gaussian utility Package
      Python
      •
      MIT License
      •3•0•0•0•Updated May 30, 2023May 30, 2023

    • niorep

      Public
      Python
      •
      Apache License 2.0
      •3•1•0•0•Updated Nov 20, 2020Nov 20, 2020

    • CorrespondingOrbitals

      Public
      Python
      •
      MIT License
      •2•0•1•0•Updated Jun 11, 2020Jun 11, 2020
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