User’s guide

• Introduction
• Some geography…
• Prerequisites
  • Dependencies
  • Bundled dependencies
  • Optional dependencies
  • Compilation and installation notes
• Compilation
  • Compilation using CMake
  • Compilation
• Test suite
  • What if the tests fail?
  • Skipping Tests
  • Adjusting Test Tolerances
• Usage
  • Parallel Usage
• Input file
  • Systems
  • Calculations
  • Utilities
  • Appendix
• Interacting with running calculations
• Analysis
  • FCIQMC and CCMC
  • Canonical Total Energy MC
  • DMQMC
• Generating integrals
  • A short tutorial for generating FCIDUMPs by Psi4
  • FCIDUMP format
  • Basis indices
  • Symmetry
• Tips
  • Compilation
  • Plotting calculation output using gnuplot
• Old (removed) functionality
• Tutorials
  • Full Configuration Interaction Quantum Monte Carlo
  • Initiator Approximation to FCIQMC
  • Semi-Stochastic FCIQMC
  • Coupled Cluster Monte Carlo
  • Density Matrix Quantum Monte Carlo
  • Interaction Picture Density Matrix Quantum Monte Carlo
  • Canonical Estimates
  • Shoulder Plots
  • Solid state calculations