HAL’s MD package
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Usage¶

  • Getting started
    • Program parameters
    • Example: a Lennard-Jones fluid
    • Inspection of the results
  • Simulation Scripts
    • Structure
    • Examples
    • Advanced
  • H5MD data files
    • Why H5MD?
    • Working with HDF5 files
  • Plotting the results
  • Multi-GPU machines
    • nvidia-smi tool
    • nvlock tool

Table Of Contents

  • Introduction
  • Installation
  • Usage
    • Getting started
    • Simulation Scripts
    • H5MD data files
    • Plotting the results
    • Multi-GPU machines
  • Recipes
  • Modules
  • Simulation units
  • Validation
  • Benchmarks
  • Publications
  • FAQ
  • Developer’s guide
  • Changelog
  • Documentation archive

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© Copyright 2007–2016 Felix Höfling, Peter Colberg, Nicolas Höft, Daniel Kirchner, Michael Kopp. Created using Sphinx 1.4.5.