CITATION.cff

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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