{
  "id": 99819,
  "title": "Magnetic shielding tensor, dipole moment",
  "url": "/competitions/champs-scalar-coupling/discussion/99819",
  "author_name": "",
  "post_date": "2019-07-14T14:15:31.076852300Z",
  "votes": 2,
  "comment_count": 2,
  "views": 0,
  "content": "<p>Does  the shielding tensor and dipole moment refer to the same coordinate system as the coordinates of the atoms? </p>\n\n<p>If I use a 3x3 rotation matrix, R, to transform the coordinates of the atoms. How then does the shielding tensor tranform?</p>",
  "messages": [
    {
      "id": "574815",
      "postDate": "07/14/2019 14:15:31",
      "content": "<p>Does  the shielding tensor and dipole moment refer to the same coordinate system as the coordinates of the atoms? </p>\n\n<p>If I use a 3x3 rotation matrix, R, to transform the coordinates of the atoms. How then does the shielding tensor tranform?</p>",
      "rawMarkdown": "Does  the shielding tensor and dipole moment refer to the same coordinate system as the coordinates of the atoms? \n\nIf I use a 3x3 rotation matrix, R, to transform the coordinates of the atoms. How then does the shielding tensor tranform?",
      "votes": null
    },
    {
      "id": "574972",
      "postDate": "07/14/2019 19:16:48",
      "content": "<p>Hi, see here for the dipole moment: <a href=\"https://www.kaggle.com/c/champs-scalar-coupling/discussion/99055#latest-572836\">https://www.kaggle.com/c/champs-scalar-coupling/discussion/99055#latest-572836</a></p>",
      "rawMarkdown": "Hi, see here for the dipole moment: https://www.kaggle.com/c/champs-scalar-coupling/discussion/99055#latest-572836",
      "votes": null
    },
    {
      "id": "597754",
      "postDate": "08/12/2019 18:23:49",
      "content": "<p>For 2nd rank Tensors it's </p>\n\n<blockquote>\n  <p>T' = RTR' </p>\n</blockquote>\n\n<p>Where T' is the transformed Tensor, R is the rotation matrix and R' is the inverse of the Rotation Matrix (Or the Transpose since R transpose == R inverse).</p>\n\n<p>Hope this helps, though for some reason if you use rotation, the model doesn't learn much. Might be due to the unknown direction of the external Magnetic Field.</p>",
      "rawMarkdown": "For 2nd rank Tensors it's \n&gt; T' = RTR' \n\nWhere T' is the transformed Tensor, R is the rotation matrix and R' is the inverse of the Rotation Matrix (Or the Transpose since R transpose == R inverse).\n\nHope this helps, though for some reason if you use rotation, the model doesn't learn much. Might be due to the unknown direction of the external Magnetic Field.",
      "votes": null
    }
  ],
  "comments": [
    {
      "id": 574972,
      "author_name": "fnands",
      "author_url": "",
      "post_date": "07/14/2019 19:16:48",
      "content": "<p>Hi, see here for the dipole moment: <a href=\"https://www.kaggle.com/c/champs-scalar-coupling/discussion/99055#latest-572836\">https://www.kaggle.com/c/champs-scalar-coupling/discussion/99055#latest-572836</a></p>",
      "votes": null,
      "replies": []
    },
    {
      "id": 597754,
      "author_name": "abdurrafae",
      "author_url": "",
      "post_date": "08/12/2019 18:23:49",
      "content": "<p>For 2nd rank Tensors it's </p>\n\n<blockquote>\n  <p>T' = RTR' </p>\n</blockquote>\n\n<p>Where T' is the transformed Tensor, R is the rotation matrix and R' is the inverse of the Rotation Matrix (Or the Transpose since R transpose == R inverse).</p>\n\n<p>Hope this helps, though for some reason if you use rotation, the model doesn't learn much. Might be due to the unknown direction of the external Magnetic Field.</p>",
      "votes": null,
      "replies": []
    }
  ],
  "raw_markdown_by_id": {
    "574815": "Does  the shielding tensor and dipole moment refer to the same coordinate system as the coordinates of the atoms? \n\nIf I use a 3x3 rotation matrix, R, to transform the coordinates of the atoms. How then does the shielding tensor tranform?",
    "574972": "Hi, see here for the dipole moment: https://www.kaggle.com/c/champs-scalar-coupling/discussion/99055#latest-572836",
    "597754": "For 2nd rank Tensors it's \n&gt; T' = RTR' \n\nWhere T' is the transformed Tensor, R is the rotation matrix and R' is the inverse of the Rotation Matrix (Or the Transpose since R transpose == R inverse).\n\nHope this helps, though for some reason if you use rotation, the model doesn't learn much. Might be due to the unknown direction of the external Magnetic Field."
  },
  "source": "meta"
}