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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
  • View page source

minihf package

Subpackages

  • minihf.basis package
    • Subpackages
      • minihf.basis.database package
        • Module contents
    • Submodules
      • minihf.basis.basis_set module
        • BasisSet
      • minihf.basis.gauss module
        • PrimitiveGaussian
        • ContractedGaussian
      • minihf.basis.nwchem module
    • Module contents
  • minihf.hamiltonian package
    • Subpackages
      • minihf.hamiltonian.integral package
        • Submodules
        • Module contents
    • Submodules
      • minihf.hamiltonian.auxiliary module
        • eint()
      • minihf.hamiltonian.hamiltonian module
        • Hamiltonian
    • Module contents
  • minihf.molecule package
    • Submodules
      • minihf.molecule.atom module
        • Element
        • Atom
      • minihf.molecule.molecule module
        • Molecule
    • Module contents
  • minihf.scf package
    • Submodules
      • minihf.scf.ghf module
        • ghf()
      • minihf.scf.hf_solver module
        • HFSolver
      • minihf.scf.initial_guess module
        • core_hamiltonian()
        • extended_huckel_guess()
      • minihf.scf.rhf module
        • rhf()
      • minihf.scf.rohf module
        • rohf()
      • minihf.scf.uhf module
        • uhf()
    • Module contents

Module contents

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