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Introduction — HAL’s MD package 1.0-alpha6-patch3 [testing-branch commit 630bbab] documentation

Is a high-precision molecular dynamics package for large-scale simulations of the complex dynamics in inhomogeneous liquids. It has been specifically designed to support acceleration through CUDA. Is maintained and developed by Felix Höfling. And was initially written together with Peter Colberg. Special credit goes to Nicolas Höft. For their manifold contributions. Comput. Phys. Commun. 182. 1120 (2011) [arXiv:0912.3824]. Is designed to study. Both two- and three-dimensional systems. Structured, compres...

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Introduction — HAL’s MD package 1.0-alpha6-patch3 [testing-branch commit 630bbab] documentation | halmd.org Reviews

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Is a high-precision molecular dynamics package for large-scale simulations of the complex dynamics in inhomogeneous liquids. It has been specifically designed to support acceleration through CUDA. Is maintained and developed by Felix Höfling. And was initially written together with Peter Colberg. Special credit goes to Nicolas Höft. For their manifold contributions. Comput. Phys. Commun. 182. 1120 (2011) [arXiv:0912.3824]. Is designed to study. Both two- and three-dimensional systems. Structured, compres...

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Introduction — HAL’s MD package 1.0-alpha6-patch3 [testing-branch commit 630bbab] documentation | halmd.org Reviews

https://halmd.org

Is a high-precision molecular dynamics package for large-scale simulations of the complex dynamics in inhomogeneous liquids. It has been specifically designed to support acceleration through CUDA. Is maintained and developed by Felix Höfling. And was initially written together with Peter Colberg. Special credit goes to Nicolas Höft. For their manifold contributions. Comput. Phys. Commun. 182. 1120 (2011) [arXiv:0912.3824]. Is designed to study. Both two- and three-dimensional systems. Structured, compres...

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halmd.org

1

Benchmarks — HAL’s MD package 1.0-alpha5 documentation

http://www.halmd.org/benchmarks.html

The benchmark results were produced by the scripts in. The Tesla GPUs had ECC. No overclocking or other tweaking was done. Simple Lennard-Jones fluid in 3 dimensions. 64,000 particles, number density. Force: lennard jones (. Integrator: verlet (NVE,. Time per MD step and particle. GCC 47.2, -O3. CUDA 5.5, -arch compute 12. CUDA 5.5, -arch compute 12. CUDA 5.5, -arch compute 12. CUDA 5.5, -arch compute 12. CUDA 5.5, -arch compute 12. CUDA 5.5, -arch compute 12. CUDA 5.5, -arch compute 12. GCC 47.2, -O3.

2

Python Module Index — HAL’s MD package 1.0-alpha5 documentation

http://www.halmd.org/py-modindex.html

3

Development of HAL’s MD package — HAL’s MD package 1.0-alpha5 documentation

http://www.halmd.org/develop/overview.html

Your contribution to the development of. Is highly appreciated. There are several ways doing so:. The source code is available from GitHub. Patches can be submitted and discussed via the mailing list. GitHub pull requests are fine, too). Bugs can be reported and viewed on Redmine. There is a rough roadmap available, which indicates what is planned in the next releases. Automatic test results can be viewed on the CDash Dashboard. If you want to contribute to the test suite. Short guide on Luabind.

4

Installation — HAL’s MD package 1.0-alpha5 documentation

http://www.halmd.org/installation/index.html

Downloading the source code. Ubuntu 14.04 LTS. Downloading the source code.

5

Potentials — HAL’s MD package 1.0-alpha5 documentation

http://www.halmd.org/modules/mdsim/potentials/index.html

Linearly truncated Lennard-Jones potential. Power-law with hard core potential.

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modelingmaterials.org

Resources - Modeling Materials: Continuum, Atomistic and Multiscale Techniques

http://www.modelingmaterials.org/resources

Victorinox Swiss army knife. This page provides resources for readers of the Modeling Materials. MM) book as well anyone interested in atomistic and multiscale simulations. The page contains the following information:. Online discussion forum for readers of the MM book. Programs used with the MM book. Input files for MM homework problems. Freely available atomistic and multiscale software. Online discussion forum for readers of the. A discussion forum for readers of the MM book has been set up here.

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Introduction — HAL’s MD package 1.0-alpha6-patch3 [testing-branch commit 630bbab] documentation

Is a high-precision molecular dynamics package for large-scale simulations of the complex dynamics in inhomogeneous liquids. It has been specifically designed to support acceleration through CUDA. Is maintained and developed by Felix Höfling. And was initially written together with Peter Colberg. Special credit goes to Nicolas Höft. For their manifold contributions. Comput. Phys. Commun. 182. 1120 (2011) [arXiv:0912.3824]. Is designed to study. Both two- and three-dimensional systems. Structured, compres...

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