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Documentation of HAL’s MD package
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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 1.1.0
Version 1.0.2
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
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