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deepqmc/deepqmc: DeepQMC 0.2.0

Jan Hermann; Zeno Schätzle; Frank Noé


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{
  "publisher": "Zenodo", 
  "DOI": "10.5281/zenodo.3992004", 
  "title": "deepqmc/deepqmc: DeepQMC 0.2.0", 
  "issued": {
    "date-parts": [
      [
        2020, 
        8, 
        19
      ]
    ]
  }, 
  "abstract": "<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>", 
  "author": [
    {
      "family": "Jan Hermann"
    }, 
    {
      "family": "Zeno Sch\u00e4tzle"
    }, 
    {
      "family": "Frank No\u00e9"
    }
  ], 
  "version": "0.2.0", 
  "type": "article", 
  "id": "3992004"
}
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