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deepqmc/deepqmc: DeepQMC 0.2.0

Jan Hermann; Zeno Schätzle; Frank Noé


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{
  "description": "<p>Added</p>\n\n<ul>\n\t<li>Command-line interface</li>\n</ul>\n\n<p>Changed</p>\n\n<ul>\n\t<li><code>PauliNet</code>:\n\n\t<ul>\n\t\t<li>Nuclear and electronic cusp corrections on by default</li>\n\t\t<li><code>omni_kwargs</code> accepted by <code>PauliNet()</code> instead of <code>from_hf()</code></li>\n\t\t<li>All keyword arguments to <code>from_hf()</code> are passed to <code>PauliNet()</code></li>\n\t</ul>\n\t</li>\n\t<li><code>Sampler</code>:\n\t<ul>\n\t\t<li><code>from_mf()</code> changed to <code>from_wf()</code>, doesn&#39;t use PySCF object by default</li>\n\t</ul>\n\t</li>\n</ul>", 
  "license": "", 
  "creator": [
    {
      "@id": "https://orcid.org/0000-0002-2779-0749", 
      "@type": "Person", 
      "name": "Jan Hermann"
    }, 
    {
      "@id": "https://orcid.org/0000-0002-5345-6592", 
      "@type": "Person", 
      "name": "Zeno Sch\u00e4tzle"
    }, 
    {
      "@id": "https://orcid.org/0000-0003-4169-9324", 
      "@type": "Person", 
      "name": "Frank No\u00e9"
    }
  ], 
  "url": "https://zenodo.org/record/3992004", 
  "codeRepository": "https://github.com/deepqmc/deepqmc/tree/0.2.0", 
  "datePublished": "2020-08-19", 
  "version": "0.2.0", 
  "@context": "https://schema.org/", 
  "identifier": "https://doi.org/10.5281/zenodo.3992004", 
  "@id": "https://doi.org/10.5281/zenodo.3992004", 
  "@type": "SoftwareSourceCode", 
  "name": "deepqmc/deepqmc: DeepQMC 0.2.0"
}
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