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  • GaInt Quickstart

Tutorial Notebooks

  • Basis Set
  • Mcmurchie Davidson Scheme
  • Obara Saika Scheme

API

  • gaint
    • gaint package
      • Subpackages
        • gaint.mcmurchie_davidson package
        • gaint.obara_saika package
      • Submodules
      • Module contents
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  • gaint package
  • gaint.mcmurchie_davidson package
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gaint.mcmurchie_davidson package

Submodules

  • gaint.mcmurchie_davidson.electron_repulsion module
    • ElectronRepulsion
  • gaint.mcmurchie_davidson.expansion_coefficient module
    • E1d()
  • gaint.mcmurchie_davidson.hermite_coulomb module
    • R3d()
  • gaint.mcmurchie_davidson.kinetic module
    • Kinetic
      • Kinetic.S1d
      • Kinetic.T1d()
  • gaint.mcmurchie_davidson.nuclear_attraction module
    • NuclearAttraction
      • NuclearAttraction.E1d
      • NuclearAttraction.R3d
      • NuclearAttraction.__init__()
  • gaint.mcmurchie_davidson.overlap module
    • Overlap
      • Overlap.E1d
      • Overlap.S1d()

Module contents

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