Welcome to MPMC’s documentation!

• Introduction
  • Citing MPMC
  • Supported Systems
  • Downloading MPMC
  • Building MPMC
  • Running MPMC
  • Updating MPMC
  • MPMC Tutorials
  • MPMC Testing Suite
  • License
• Input File Specifications
  • MPMC Input Script
  • PQR File
  • Surface Fitting Files
    • Surf_multi_fit Files
• Tutorials
  • BSS H₂ + MOF-5 Simulation (uVT)
  • BSSP H₂ + MOF-5 Simulation (uVT)
  • PHAHST H₂ + HKUST-1 Simulation (uVT)
  • Simulated Annealing
  • Replaying a Trajectory
  • Single Point Energy and Quantum Rotation Calculations
  • Potential Energy Surface Fitting (surf_fit)
  • Potential Energy Surface Fitting (surf_multi_fit)
  • Multisorbate uVT
  • BSSP H₂ + MOF5 Simulation (uVT) with NVIDIA CUDA
  • 1D Chain Replay
  • 3D Chain Replay
• Commands
  • Main Commands
    • General Monte Carlo Options
    • Ensembles and Ensemble Specific Commands
    • NVE Options
    • uVT Options
    • NPT Options
    • Replay Options
  • Input / Output Commands
  • Potential Commands
    • Lennard-Jones Mixing Rules
    • Ewald/Wolf Options
    • Polarization Options
    • PHAHST Options
    • Coupled-Dipole Van der Waals Options
    • Miscellaneous Options
  • Annealing / Tempering Commands
    • Parallel Tempering Options
  • Quantum Rotation Commands
  • Surface Fitting Commands
    • Surface Scan Options
  • External Tools
• Models
  • Hydrogen
    • PHAST
    • PHAHST
    • Coupled-Dipole Van der Waals
    • Miscellaneous
  • Carbon Dioxide
    • PHAST
    • PHAHST
    • Miscellaneous
  • Nitrogen
    • PHAST
    • PHAHST
    • Miscellaneous
  • Hydrocarbons
    • PHAST
    • PHAHST
  • Water
    • Miscellaneous
  • Noble Gases
    • PHAST
    • PHAHST
  • Metal-Organic Frameworks
    • PHAHST