mc_lj_potential

mc_lj_potential carries out Monte Carlo simulation for Lennard Jones particles.

Available techniques:

• total pair energy

• tail correction

• unit energy

• particle energy

Contents:

• API Documentation
  • Initialize the system
  • Class Box
  • Class MCState
  • Monte Carlo Steps
  • Optimization
• Contributors
• Acknowledgement
  • MolSSI Software Summer School
• Tutorial
  • Generate_initial_state
  • Calculate energy in the system
• Installation

Indices and tables

• Index

• Module Index

• Search Page