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Simple microcanonical Molecular Dynamics simulation of a Lennard-Jones fluid in a periodic boundary

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README.md

Simple (micro)canonical Molecular Dynamics simulation of a Lennard-Jones fluid

This code was mainly written for educational purposes and to test the performance of different neighbor search algorithms

Algorithms

  • Periodic boundary conditions
  • 2nd order Verlet integrator
  • 1st order Verlet with thermostat
    • Langevin thermostat
    • DPD thermostat
  • Neighbor search
    • N square
    • Verlet lists on N square
    • Linked-cell lists
    • Verlet lists on linked-cell lists

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Report bugs on the github issues site

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Simple microcanonical Molecular Dynamics simulation of a Lennard-Jones fluid in a periodic boundary

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