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@HartreeFoca

HartreeFoca

A computational chemistry software based on McMurchie Davidson and Neural Networks

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  1. OohataHuzinaga.jl OohataHuzinaga.jl Public

    Julia 11

  2. BasisSets.jl BasisSets.jl Public

    Package to parse Basis Sets from Basis Set Exchange API

    Mathematica 6

  3. SCF.jl SCF.jl Public

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  4. HartreeFocaBenchmarks.jl HartreeFocaBenchmarks.jl Public

    Benchmarking quantum chemistry with Julia inside the HartreeFoca ecosystem

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Repositories

Showing 4 of 4 repositories
  • BasisSets.jl Public

    Package to parse Basis Sets from Basis Set Exchange API

    Mathematica 6 MIT 0 7 0 Updated Mar 10, 2025
  • HartreeFocaBenchmarks.jl Public

    Benchmarking quantum chemistry with Julia inside the HartreeFoca ecosystem

    Julia 0 MIT 0 0 0 Updated May 13, 2024
  • OohataHuzinaga.jl Public
    Julia 11 MIT 0 13 0 Updated May 12, 2024
  • SCF.jl Public
    1 MIT 0 0 0 Updated Oct 3, 2023