AutoHF

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  • Installation
  • Quick Start Guide
  • User Examples
  • AutoHF API Reference
AutoHF
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AutoHF

  • AutoHF API Reference
    • Top-level API
      • AutoHFHamiltonian
        • AutoHFHamiltonian.add_terms()
        • AutoHFHamiltonian.get()
        • AutoHFHamiltonian.get_one_body()
        • AutoHFHamiltonian.keys()
        • AutoHFHamiltonian.set()
      • solve_hf()
    • Subpackages
      • autohf.terms package
        • Submodules
        • autohf.terms.ghf module
        • autohf.terms.uhf module
        • autohf.terms.cholesky module
        • Module contents
    • Modules
      • input/output (io)
        • loadStates()
        • read_input_params()
        • saveStates()
      • options
        • RepOptions
        • SlaterType
        • get_ansatz()
        • process_args()
      • tools
        • create_polarized_func()
        • sd_to_rdm()
        • sd_to_rdm_noncollinear()
        • uhf_to_ghf()

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