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Getting Started

  • Installation
  • 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
        • gaint.boys module
        • gaint.gauss module
      • Module contents
GaInt
  • gaint
  • gaint package
  • View page source

gaint package

Subpackages

  • 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
      • gaint.mcmurchie_davidson.nuclear_attraction module
        • NuclearAttraction
      • gaint.mcmurchie_davidson.overlap module
        • Overlap
    • Module contents
  • gaint.obara_saika package
    • Submodules
      • gaint.obara_saika.electron_repulsion module
        • ElectronRepulsion
      • gaint.obara_saika.kinetic module
        • Kinetic
      • gaint.obara_saika.nuclear_attraction module
        • NuclearAttraction
      • gaint.obara_saika.overlap module
        • Overlap
    • Module contents

Submodules

  • gaint.boys module
    • boys()
    • boys_recursion()
  • gaint.gauss module
    • PrimitiveGaussian
      • PrimitiveGaussian.coefficent
      • PrimitiveGaussian.origin
      • PrimitiveGaussian.shell
      • PrimitiveGaussian.exponent
      • PrimitiveGaussian.Properties
      • PrimitiveGaussian.norm
      • PrimitiveGaussian.__init__()
      • PrimitiveGaussian.__call__()
      • PrimitiveGaussian.norm

Module contents

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