Documentation of HAL’s MD package

• Introduction
  • Physics applications
  • Features
  • Historical footnote
• Installation
  • Downloading the source code
  • Software prerequisites
  • Building HAL’s MD package
  • Installation in Ubuntu
• Usage
  • Getting started
  • Simulation Scripts
  • H5MD data files
  • Plotting the results
  • Multi-GPU machines
  • Tutorial: diffusion in a simple liquid
• Recipes
  • Create initial state of a fluid mixture
• Modules
  • Simulation
  • Numeric
  • Input and Output
  • Observables
  • Random Numbers
  • Utilities
• Simulation units
• Validation
  • Simple fluids
  • Binary mixtures
• Benchmarks
  • Simple Lennard-Jones fluid in 3 dimensions
  • Supercooled binary mixture (Kob-Andersen)
• Publications
  • Technical papers
  • Scientific research
• FAQ
• Developer’s guide
  • Development of HAL’s MD package
  • Cloning the repository
  • Programme flow: signals and data caches
  • Floating-point precision
  • How to write a HALMD module
  • Test suite
  • Coding conventions
  • Short guide on Luabind
  • Debugging
  • Redmine
• Changelog
  • Version 1.0.0
  • Version 1.0-alpha6
  • Version 1.0-alpha5
  • Version 1.0-alpha4
  • Version 1.0-alpha3
  • Version 1.0-alpha2
  • Version 1.0-alpha1
  • Version 0.2.1
  • Version 0.2.0
  • Version 0.1.3
  • Version 0.1.2
  • Version 0.1.1
  • Version 0.1.0
• Documentation archive