API reference

• High level functions
• Monte Carlo methods
  • Variational Monte Carlo
  • Wave function optimization
  • Diffusion Monte Carlo
  • Orthogonal optimization
• Wave function objects
  • __init__()
  • recompute()
  • updateinternals()
  • value()
  • testvalue()
  • gradient()
  • laplacian()
  • pgradient()
  • Slater determinant
  • Jastrow factor
  • Three body jastrow factor
  • Geminal jastrow factor
  • Multipy wave function
• Accumulators
  • Energy
  • Effective Core Potential (ECP)
  • Ewald summation
  • Ewald2D summation
  • 1-RDM
  • 2-RDM
• 3-dimensional functions
  • func3d objects
• Wave function testing utilities