{
  "id": 94993,
  "title": "Molecular Physics Refs and Python Packages",
  "url": "/competitions/champs-scalar-coupling/discussion/94993",
  "author_name": "Bryan Arnold",
  "post_date": "2019-06-09T03:58:14.093000",
  "votes": 10,
  "comment_count": 0,
  "views": 0,
  "content": "<p>I am not a domain expert, but I thought I would share some resources I came across.</p>\n\n<p><strong>Python Packages:</strong>\n* <a href=\"https://amp.readthedocs.io/en/latest/installation.html\">https://amp.readthedocs.io/en/latest/installation.html</a>\n* <a href=\"https://singroup.github.io/dscribe/install.html\">https://singroup.github.io/dscribe/install.html</a>\n* <a href=\"https://github.com/diffpy\">https://github.com/diffpy</a></p>\n\n<p><strong>Atom-Centered Symmetry Functions Reference:</strong>\n* <a href=\"https://arxiv.org/pdf/1712.05861.pdf\">https://arxiv.org/pdf/1712.05861.pdf</a>\n* <a href=\"http://cacs.usc.edu/education/cs653/Behler-NNpot-IJQC15.pdf\">http://cacs.usc.edu/education/cs653/Behler-NNpot-IJQC15.pdf</a></p>",
  "messages": [
    {
      "id": 548255,
      "postDate": "2019-06-09T03:58:14.093Z",
      "content": "<p>I am not a domain expert, but I thought I would share some resources I came across.</p>\n\n<p><strong>Python Packages:</strong>\n* <a href=\"https://amp.readthedocs.io/en/latest/installation.html\">https://amp.readthedocs.io/en/latest/installation.html</a>\n* <a href=\"https://singroup.github.io/dscribe/install.html\">https://singroup.github.io/dscribe/install.html</a>\n* <a href=\"https://github.com/diffpy\">https://github.com/diffpy</a></p>\n\n<p><strong>Atom-Centered Symmetry Functions Reference:</strong>\n* <a href=\"https://arxiv.org/pdf/1712.05861.pdf\">https://arxiv.org/pdf/1712.05861.pdf</a>\n* <a href=\"http://cacs.usc.edu/education/cs653/Behler-NNpot-IJQC15.pdf\">http://cacs.usc.edu/education/cs653/Behler-NNpot-IJQC15.pdf</a></p>",
      "rawMarkdown": "I am not a domain expert, but I thought I would share some resources I came across.\n\n**Python Packages:**\n* https://amp.readthedocs.io/en/latest/installation.html\n* https://singroup.github.io/dscribe/install.html\n* https://github.com/diffpy\n\n**Atom-Centered Symmetry Functions Reference:**\n* https://arxiv.org/pdf/1712.05861.pdf\n* http://cacs.usc.edu/education/cs653/Behler-NNpot-IJQC15.pdf",
      "votes": 10
    }
  ],
  "comments": [],
  "raw_markdown_by_id": {
    "548255": "I am not a domain expert, but I thought I would share some resources I came across.\n\n**Python Packages:**\n* https://amp.readthedocs.io/en/latest/installation.html\n* https://singroup.github.io/dscribe/install.html\n* https://github.com/diffpy\n\n**Atom-Centered Symmetry Functions Reference:**\n* https://arxiv.org/pdf/1712.05861.pdf\n* http://cacs.usc.edu/education/cs653/Behler-NNpot-IJQC15.pdf"
  }
}