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UKRMol+: UKRMol-out

UK R-matrix community

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  "inLanguage": {
    "alternateName": "eng", 
    "@type": "Language", 
    "name": "English"
  "description": "<p>Outer region programs for the reengineered UK computational implementation of the R-matrix method for the treatment of electron and positron scattering from molecules (BTO/GTO continuum). Also calculates photoionization cross sections.</p>\n\n<p>For a complete list of the authors who contributed to this software see and a file in the release tarball (after release 2.0.2).</p>\n\n<p>Features of this version:</p>\n\n<ul>\n\t<li>generates input for molecular RMT calculations</li>\n\t<li>includes program DIPELM to calculate photoionization cross sections</li>\n</ul>\n\n<p>This version corrects an inconsistency in SWINTERF that caused trouble with the gnu compiler. This version uses GBTOlib 1.0.3.</p>", 
  "license": "", 
  "creator": [
      "@type": "Person", 
      "name": "UK R-matrix community"
  "url": "", 
  "datePublished": "2019-06-28", 
  "version": "2.0.2", 
  "keywords": [
    "electron scattering, photoionization"
  "@context": "", 
  "identifier": "", 
  "@id": "", 
  "@type": "SoftwareSourceCode", 
  "name": "UKRMol+: UKRMol-out"
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