halmd

HAL's MD package: Highly Accelerated Large-scale Molecular Dynamics simulations

https://github.com/halmd-org/halmd

Science Score: 44.0%

This score indicates how likely this project is to be science-related based on various indicators:

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CITATION.cff file
Found CITATION.cff file
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codemeta.json file
Found codemeta.json file
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.zenodo.json file
Found .zenodo.json file
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DOI references
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Academic links in README
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Academic email domains
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Institutional organization owner
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JOSS paper metadata
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Scientific vocabulary similarity
Low similarity (1.0%) to scientific vocabulary

Keywords

c-plus-plus gpgpu lua

Last synced: 4 months ago · JSON representation ·

Repository

HAL's MD package: Highly Accelerated Large-scale Molecular Dynamics simulations

Basic Info

Host: GitHub
Owner: halmd-org
License: other
Language: C++
Default Branch: testing
Homepage: http://halmd.org
Size: 28.1 MB

Statistics

Stars: 22
Watchers: 7
Forks: 9
Open Issues: 6
Releases: 0

Topics

c-plus-plus gpgpu lua

Created about 13 years ago · Last pushed 6 months ago

Metadata Files

License Citation Authors

Owner

Name: HAL’s MD package
Login: halmd-org
Kind: organization

Website: http://halmd.org
Repositories: 10
Profile: https://github.com/halmd-org

Citation (CITATION.cff)

# This CITATION.cff file was generated with cffinit.
# Visit https://bit.ly/cffinit to generate yours today!

cff-version: 1.2.0
title: HAL's MD package
message: >-
  Please cite the following works when using this
  software.
type: software
authors:
  - given-names: Felix
    family-names: Höfling
    email: f.hoefling@fu-berlin.de
    affiliation: 'Freie Universität Berlin, Germany'
    orcid: 'https://orcid.org/0000-0002-5961-132X'
  - given-names: Peter
    family-names: Colberg
    affiliation: 'University of Toronto, Canada'
  - given-names: Nicolas
    family-names: Höft
    affiliation: 'Heinrich-Heine-Universität Düsseldorf, Germany'
  - given-names: Roya
    family-names: Ebrahimi Viand
    affiliation: 'Freie Universität Berlin, Germany'
  - given-names: Daniel
    family-names: Kirchner
    affiliation: 'Freie Universität Berlin, Germany'
  - given-names: Michael
    family-names: Kopp
    affiliation: >-
      Max Planck Institute for Intelligent Systems,
      Stuttgart, Germany
  - given-names: Sutapa
    family-names: Roy
    affiliation: >-
      Max Planck Institute for Intelligent Systems,
      Stuttgart, Germany
  - given-names: Jaslo
    family-names: Ziska
    affiliation: 'Freie Universität Berlin, Germany'
repository-code: 'https://github.com/halmd-org/halmd'
url: 'https://halmd.org'
abstract: >-
  Highly accelerated large-scale molecular dynamics
  simulations.


  HAL’s MD package 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-enabled graphics processors.
license: LGPL-3.0+
version: 1.1.0
date-released: '2022-05-01'

preferred-citation:
  title: 'Highly accelerated simulations of glassy dynamics using GPUs: Caveats on limited floating-point precision'
  type: article
  authors:
    - given-names: Felix
      family-names: Höfling
    - given-names: Peter H.
      family-names: Colberg
  doi: 'https://doi.org/10.1016/j.cpc.2011.01.009'
  journal: 'Comput. Phys. Commun.'
  pages: 1120
  volume: 182
  year: 2011

references:
  title: 'H5MD: a structured, efficient, and portable file format for molecular data'
  type: article
  authors:
    - given-names: Pierre
      family-names: de Buyl
    - given-names: Peter H.
      family names: Colberg
    - given-names: Felix
      family names: Höfling
  journal: 'Comput. Phys. Commun.'
  volume: 185
  pages: 1546
  year: 2014

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