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API referenceΒΆ

  • High level functions
  • Monte Carlo methods
    • Variational Monte Carlo
    • Wave function optimization
    • Diffusion Monte Carlo
    • Orthogonal optimization
  • Wave function objects
    • Slater determinant
    • Jastrow factor
    • Multipy wave function
  • Accumulators
    • Energy
    • Effective Core Potential (ECP)
    • Ewald summation
    • 1-RDM
    • 2-RDM
  • 3-dimensional functions
  • Wave function testing utilities

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