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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
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
Debugging
Floating-point precision
Short guide on Luabind
How to write a HALMD module
Redmine
Coding conventions
Test suite
Changelog
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
Table Of Contents
Introduction
Installation
Usage
Recipes
Modules
Simulation units
Validation
Benchmarks
Publications
FAQ
Developer’s guide
Changelog
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