April 21, 2021 Software Open Access

Michael F. Herbst; Antoine Levitt; gkemlin; ssirajdine; Deeptendu Santra; Eric Berquist; Gaurav Wasnik; Louis Ponet; Niklas Schmitz; tzsuzsi

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{
  "description": "DFTK v0.2.8\n<p><a href=\"https://github.com/JuliaMolSim/DFTK.jl/compare/v0.2.7...v0.2.8\">Diff since v0.2.7</a></p>\n<p><strong>Closed issues:</strong></p>\n<ul>\n<li>Energy Calculation Discrepency Between Primitive Cell and Conventional Cell (#421)</li>\n</ul>\n<p><strong>Merged pull requests:</strong></p>\n<ul>\n<li>CompatHelper: bump compat for \"MPI\" to \"0.17\" (#420) (@github-actions[bot])</li>\n<li>Add a nice introductory DFT reference article (#422) (@mfherbst)</li>\n<li>Documentation for supported input and output formats (#423) (@mfherbst)</li>\n<li>Collinear spin GGA kernel (#424) (@mfherbst)</li>\n</ul>", 
  "license": "", 
  "creator": [
    {
      "affiliation": "@ACoM-Computational-Mathematics, RWTH Aachen University", 
      "@type": "Person", 
      "name": "Michael F. Herbst"
    }, 
    {
      "@type": "Person", 
      "name": "Antoine Levitt"
    }, 
    {
      "@type": "Person", 
      "name": "gkemlin"
    }, 
    {
      "@type": "Person", 
      "name": "ssirajdine"
    }, 
    {
      "@type": "Person", 
      "name": "Deeptendu Santra"
    }, 
    {
      "affiliation": "Q-Chem", 
      "@type": "Person", 
      "name": "Eric Berquist"
    }, 
    {
      "@type": "Person", 
      "name": "Gaurav Wasnik"
    }, 
    {
      "@type": "Person", 
      "name": "Louis Ponet"
    }, 
    {
      "@type": "Person", 
      "name": "Niklas Schmitz"
    }, 
    {
      "@type": "Person", 
      "name": "tzsuzsi"
    }
  ], 
  "url": "https://zenodo.org/record/4707620", 
  "codeRepository": "https://github.com/JuliaMolSim/DFTK.jl/tree/v0.2.8", 
  "datePublished": "2021-04-21", 
  "version": "v0.2.8", 
  "@context": "https://schema.org/", 
  "identifier": "https://doi.org/10.5281/zenodo.4707620", 
  "@id": "https://doi.org/10.5281/zenodo.4707620", 
  "@type": "SoftwareSourceCode", 
  "name": "JuliaMolSim/DFTK.jl: v0.2.8"
}