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

Documentation

Issues

Report bugs on the github issues site