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pyscal: A python module for structural analysis of atomic environments

Sarath Menon; Grisell Díaz Leines; Jutta Rogal


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{
  "description": "<p>Python library written in C++ for calculation of local atomic structural environment</p>", 
  "license": "http://www.opensource.org/licenses/GPL-3.0", 
  "creator": [
    {
      "affiliation": "Interdisciplinary Centre for Advanced Materials Simulation, Ruhr-Universit\u00e4t Bochum", 
      "@id": "https://orcid.org/0000-0002-6776-1213", 
      "@type": "Person", 
      "name": "Sarath Menon"
    }, 
    {
      "affiliation": "Interdisciplinary Centre for Advanced Materials Simulation, Ruhr-Universit\u00e4t Bochum", 
      "@id": "https://orcid.org/0000-0002-3048-5315", 
      "@type": "Person", 
      "name": "Grisell D\u00edaz Leines"
    }, 
    {
      "affiliation": "Interdisciplinary Centre for Advanced Materials Simulation, Ruhr-Universit\u00e4t Bochum", 
      "@id": "https://orcid.org/0000-0002-6268-380X", 
      "@type": "Person", 
      "name": "Jutta Rogal"
    }
  ], 
  "hasPart": [
    {
      "@id": "https://joss.theoj.org/papers/10.21105/joss.01824", 
      "@type": "CreativeWork"
    }
  ], 
  "datePublished": "2019-10-29", 
  "url": "https://zenodo.org/record/3522377", 
  "version": "2.0.1", 
  "keywords": [
    "steinhardt", 
    "bond-order-parameters", 
    "molecular-dynamics", 
    "lammps", 
    "local-atomic-environment", 
    "solid-state-physics", 
    "order-parameters"
  ], 
  "@context": "https://schema.org/", 
  "identifier": "https://doi.org/10.5281/zenodo.3522377", 
  "@id": "https://doi.org/10.5281/zenodo.3522377", 
  "@type": "SoftwareSourceCode", 
  "name": "pyscal: A python module for structural analysis of atomic environments"
}
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