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Getting Started

  • Installation
  • Quick Start with MiniHF

Theory & Tutorials

  • Molecular Integrals in MiniHF
  • Hartree-Fock Method

API Reference

  • minihf
    • minihf package
      • Subpackages
        • minihf.basis package
        • minihf.hamiltonian package
        • minihf.molecule package
        • minihf.scf package
      • Module contents
minihf
  • minihf
  • minihf package
  • minihf.scf package
  • View page source

minihf.scf package

Submodules

  • minihf.scf.ghf module
    • ghf()
  • minihf.scf.hf_solver module
    • HFSolver
      • HFSolver.ham
      • HFSolver.I_thld
      • HFSolver.E_thld
      • HFSolver.D_thld
      • HFSolver.__init__()
      • HFSolver.rhf()
      • HFSolver.uhf()
      • HFSolver.rhf()
      • HFSolver.uhf()
      • HFSolver.rohf()
      • HFSolver.ghf()
  • minihf.scf.initial_guess module
    • core_hamiltonian()
    • huckel()
    • extended_huckel()
  • minihf.scf.rhf module
    • rhf()
  • minihf.scf.rohf module
    • rohf()
  • minihf.scf.uhf module
    • uhf()

Module contents

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