https://github.com/junghans/mdlj

Simple microcanonical Molecular Dynamics simulation of a Lennard-Jones fluid in a periodic boundary
https://github.com/junghans/mdlj

Last synced: 9 months ago
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Simple microcanonical Molecular Dynamics simulation of a Lennard-Jones fluid in a periodic boundary

• Host: GitHub
• URL: https://github.com/junghans/mdlj
• Owner: junghans
• Created: 2015-03-19T23:17:09.000Z (about 11 years ago)
• Default Branch: master
• Last Pushed: 2018-01-02T00:07:06.000Z (over 8 years ago)
• Last Synced: 2025-08-10T22:47:41.900Z (10 months ago)
• Language: C
• Homepage:
• Size: 478 KB
• Stars: 10
• Watchers: 3
• Forks: 0
• Open Issues: 0
• Metadata Files:
  • Readme: README.md

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README

          
# 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](http://junghans.github.io/mdlj/)

## Issues

Report bugs on the [github issues site](https://github.com/junghans/mdlj/issues)

[![Build Status](https://travis-ci.org/junghans/mdlj.svg?branch=master)](https://travis-ci.org/junghans/mdlj)

[![codecov.io](https://codecov.io/github/junghans/mdlj/coverage.svg?branch=master)](https://codecov.io/github/junghans/mdlj?branch=master)