qmctorch.wavefunction.orbitals package

Subpackages

• qmctorch.wavefunction.orbitals.backflow package
  • Subpackages
    • qmctorch.wavefunction.orbitals.backflow.kernels package
      • Submodules
      • Module contents
  • Submodules
    • qmctorch.wavefunction.orbitals.backflow.backflow_transformation module
      • BackFlowTransformation
    • qmctorch.wavefunction.orbitals.backflow.orbital_dependent_backflow_kernel module
      • OrbitalDependentBackFlowKernel
    • qmctorch.wavefunction.orbitals.backflow.orbital_dependent_backflow_transformation module
      • OrbitalDependentBackFlowTransformation
  • Module contents
    • BackFlowTransformation
      • BackFlowTransformation.forward()
    • BackFlowKernelBase
      • BackFlowKernelBase.forward()
    • BackFlowKernelAutoInverse
    • BackFlowKernelFullyConnected
    • BackFlowKernelInverse
    • BackFlowKernelPowerSum
    • BackFlowKernelSquare

Submodules

• qmctorch.wavefunction.orbitals.atomic_orbitals module
  • AtomicOrbitals
    • AtomicOrbitals.forward()
    • AtomicOrbitals.update()
• qmctorch.wavefunction.orbitals.atomic_orbitals_backflow module
  • AtomicOrbitalsBackFlow
    • AtomicOrbitalsBackFlow.forward()
• qmctorch.wavefunction.orbitals.atomic_orbitals_orbital_dependent_backflow module
  • AtomicOrbitalsOrbitalDependentBackFlow
    • AtomicOrbitalsOrbitalDependentBackFlow.forward()
• qmctorch.wavefunction.orbitals.norm_orbital module
  • atomic_orbital_norm()
  • norm_slater_spherical()
  • norm_gaussian_spherical()
  • norm_slater_cartesian()
  • norm_gaussian_cartesian()
• qmctorch.wavefunction.orbitals.radial_functions module
  • radial_slater()
  • radial_gaussian()
  • radial_gaussian_pure()
  • radial_slater_pure()
  • return_required_data()
• qmctorch.wavefunction.orbitals.spherical_harmonics module
  • Harmonics
  • CartesianHarmonics()
  • SphericalHarmonics()
  • get_spherical_harmonics()
  • get_grad_spherical_harmonics()

Module contents