HAL’s MD package
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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 1.0.1
    • 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

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