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@FermiQC Fermi Quantum Chemistry

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    6 repositories

    • Molecules.jl

      Public
      Library that handles atom structures as XYZ files and properties derived from it.
      Julia
      •
      MIT License
      •10•15•8•0•Updated Sep 7, 2024Sep 7, 2024

    • GaussianBasis.jl

      Public
      Package to handle integrals over Gaussian-type atomic orbitals.
      Julia
      •
      MIT License
      •6•28•4•0•Updated Jun 4, 2024Jun 4, 2024

    • Fermi.jl

      Public
      Fermi quantum chemistry program
      chemistryphysicsquantum-chemistrymp2hartree-fockmolecular-modelingcoupled-clusterjulia
      Julia
      •
      MIT License
      •25•136•15•9•Updated Apr 8, 2024Apr 8, 2024

    • TBLIS.jl

      Public
      Julia wrapper for TBLIS tensor contraction library.
      Julia
      •
      MIT License
      •6•12•1•0•Updated Apr 13, 2023Apr 13, 2023

    • Symmetry.jl

      Public
      Handling of molecular symmetry, including character table generation and SALCs
      Julia
      •
      MIT License
      •1•1•0•0•Updated Mar 22, 2022Mar 22, 2022

    • Lints.jl

      Public
      Libint2 interface to Julia
      C++
      •3•13•2•1•Updated Sep 10, 2020Sep 10, 2020