Welcome to Pycasino

Welcome to the Pycasino documentation.

Pycasino is based on Numba, the documentation for which can be found here:

• Numba documentation

User guide

• Installation
  • Python version
  • Dependencies
  • Virtual environments
  • Install Pycasino
  • Developing
• Tutorial
  • Supported configuration files and their contents
    • Input files are supported
    • Input parameter are supported
      • General keywords
      • VMC keywords
      • Optimization keywords
      • DMC keywords
      • WFN definition keywords
      • Cusp correction keywords
      • Pseudopotential keywords
    • Configs read/write
  • Wavefunction
  • Cusp
  • Slater determinant
    • Summary of Methods
    • value matrix
    • gradient matrix
    • laplacian matrix
    • hessian matrix
    • tressian matrix
    • value
    • gradient
    • laplacian
    • hessian
    • tressian
  • Jastrow
    • Summary of Methods
    • u-term
    • chi-term
    • f-term
    • u-term gradient
    • chi-term gradient
    • f-term gradient
    • u-term laplacian
    • chi-term laplacian
    • f-term laplacian
  • Backflow
    • Summary of Methods
    • eta-term
    • mu-term
    • phi-term
    • eta-term gradient
    • mu-term gradient
    • phi-term gradient
    • eta-term laplacian
    • mu-term laplacian
    • phi-term laplacian